| 1 | M | 27.6 | Very low | 30.6 | Very low | 237 Ų | 237 | 161 Ų | 161 | 100% | 1.167 | 85% | 0.848 | S | S | * | * | | | | 0 | 144.6 | 0 | -56.4 | -175.5 | -161.9 | 0 | 0 | 107.5 | | |
| 2 | L | 26.6 | Very low | 30.7 | Very low | 148 Ų | 148 | 163.5 Ų | 163.5 | 78% | 0.775 | 85% | 0.847 | S | S | * | * | | | cis | -152.9 | 130.3 | -5.1 | -153.6 | 120.3 | 0 | 0 | 0 | 108.8 | | |
| 3 | V | 29.2 | Very low | 31.3 | Very low | 114 Ų | 114 | 159.4 Ų | 159.4 | 69% | 0.691 | 84% | 0.837 | S | S | * | * | | | trans | 40.7 | 117.1 | 153.9 | -175.7 | 0 | 0 | 0 | 0 | 117.8 | | |
| 4 | L | 34.6 | Very low | 32.1 | Very low | 161 Ų | 161 | 161.4 Ų | 161.4 | 84% | 0.843 | 84% | 0.835 | S | S | * | * | | | | -139.4 | 139.1 | 80 | -90.8 | 165.9 | 0 | 0 | 0 | 114.2 | | |
| 5 | R | 29.9 | Very low | 32.5 | Very low | 241 Ų | 241 | 160.1 Ų | 160.1 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | | | trans | -134.8 | 90.7 | -176 | -173.6 | -171.8 | -168.7 | -169.2 | 6.4 | 110.1 | | |
| 6 | C | 29.3 | Very low | 32.8 | Very low | 118 Ų | 118 | 159.3 Ų | 159.3 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | | | trans | -98.2 | 97.8 | -177.3 | -73.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 7 | R | 27.6 | Very low | 33.5 | Very low | 239 Ų | 239 | 158.6 Ų | 158.6 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | | | trans | 14.6 | 122.7 | 155.5 | -67.1 | 179.7 | 172.8 | 171.8 | -3.3 | 119.2 | | |
| 8 | H | 32.1 | Very low | 34.3 | Very low | 200 Ų | 200 | 158.1 Ų | 158.1 | 93% | 0.926 | 82% | 0.822 | S | S | * | * | | | trans | -56.2 | 149.9 | 143.6 | -73.2 | -63.1 | 0 | 0 | 0 | 110.4 | | |
| 9 | G | 32.5 | Very low | 34.9 | Very low | 77 Ų | 77 | 153.6 Ų | 153.6 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | trans | 170.8 | 9.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 10 | T | 31.3 | Very low | 35.7 | Very low | 147 Ų | 147 | 150.4 Ų | 150.4 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | | | trans | -135 | 131.7 | 173.9 | 50.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 11 | S | 36 | Very low | 36.5 | Very low | 89 Ų | 89 | 152.8 Ų | 152.8 | 62% | 0.622 | 80% | 0.795 | S | S | * | * | | | trans | -97.1 | 178.2 | -177.9 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 12 | F | 32 | Very low | 37.8 | Very low | 191 Ų | 191 | 143.9 Ų | 143.9 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | | | trans | 79.9 | 149.5 | 174.3 | -52.6 | -70.7 | 0 | 0 | 0 | 116.6 | | |
| 13 | P | 38.5 | Very low | 39.2 | Very low | 110 Ų | 110 | 143.5 Ų | 143.5 | 71% | 0.714 | 76% | 0.756 | S | S | * | * | | | cis | -131 | 171 | -28.4 | 34.3 | -17.2 | 0 | 0 | 0 | 114.1 | | |
| 14 | K | 42.2 | Very low | 40.7 | Very low | 187 Ų | 187 | 143.6 Ų | 143.6 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | | | trans | 8.8 | 107.8 | 162.9 | -71.1 | -178.4 | 174.2 | 178.6 | 0 | 117.4 | | |
| 15 | L | 37.4 | Very low | 41.8 | Very low | 143 Ų | 143 | 143.7 Ų | 143.7 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | | | trans | -112 | 5.2 | 166.4 | -113.9 | 168.3 | 0 | 0 | 0 | 114 | N17 | L15-N17 PolarHBondContact O-N 3.08Š|
| 16 | D | 38.4 | Very low | 43.6 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 78% | 0.781 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -2 | -173.1 | -59.5 | -73.1 | 0 | 0 | 0 | 116.4 | | |
| 17 | N | 44.4 | Very low | 45.5 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123 | 7.2 | -168.8 | -83.4 | -36.6 | 0 | 0 | 0 | 115.9 | L15 | L15-N17 PolarHBondContact O-N 3.08Š|
| 18 | L | 47.8 | Very low | 47.6 | Very low | 150 Ų | 150 | 130.5 Ų | 130.5 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -122.7 | 16.7 | -175.1 | -81.8 | 173.1 | 0 | 0 | 0 | 116.5 | | |
| 19 | V | 46.1 | Very low | 49.4 | Very low | 73 Ų | 73 | 125.1 Ų | 125.1 | 44% | 0.442 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -137.4 | 117.7 | 161.6 | -166.9 | 0 | 0 | 0 | 0 | 110.6 | K21 K23 M24 | V19-K21 PolarHBondContact O-N 2.79Å; V19-K23 HydrophobicContact CG1-CB 3.8Å; V19-M24 HydrophobicContact CG1-CB 3.92Å |
| 20 | P | 50.2 | Low | 51 | Low | 88 Ų | 88 | 127.4 Ų | 127.4 | 57% | 0.571 | 67% | 0.668 | S | S | * | * | | | trans | -65 | 130.8 | 169.9 | 27.5 | -32.9 | 0 | 0 | 0 | 108.8 | G22 K23 | P20-G22 PolarHBondContact O-N 3.09Å; P20-K23 HydrophobicContact CG-CB 4.39Å; P20-K23 HydrophobicContact CG-CD 4.01Å; P20-K23 HydrophobicContact CG-CG 4.14Å; P20-K23 PolarHBondContact O-N 3.33Å |
| 21 | K | 53.2 | Low | 52.9 | Low | 202 Ų | 202 | 125.3 Ų | 125.3 | 88% | 0.878 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -53.5 | -19.1 | -159.6 | -71.4 | -175.9 | 175.2 | 179.9 | 0 | 117 | V19 | V19-K21 PolarHBondContact O-N 2.79Å |
| 22 | G | 53.8 | Low | 54.3 | Low | 49 Ų | 49 | 122.7 Ų | 122.7 | 51% | 0.505 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -72.4 | -37.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | P20 M24 K25 I26 | P20-G22 PolarHBondContact O-N 3.09Å; G22-M24 PolarHBondContact O-N 3.38Å; G22-K25 PolarHBondContact O-N 3Å; G22-I26 PolarHBondContact O-N 2.83Å |
| 23 | K | 56.1 | Low | 55.7 | Low | 141 Ų | 141 | 118.3 Ų | 118.3 | 61% | 0.613 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70.7 | -30.2 | -172.3 | -75.8 | -169.2 | 178.1 | -175 | 0 | 113.7 | V19 P20 K25 I26 L27 | V19-K23 HydrophobicContact CG1-CB 3.8Å; P20-K23 HydrophobicContact CG-CB 4.39Å; P20-K23 HydrophobicContact CG-CD 4.01Å; P20-K23 HydrophobicContact CG-CG 4.14Å; P20-K23 PolarHBondContact O-N 3.33Å; K23-K25 VanDerWaalsContact C-N 3.32Å; K23-I26 PolarHBondContact O-N 3.01Å; K23-L27 WeakPolarHBondContact O-CB 3.23Å; K23-L27 PolarHBondContact O-N 2.92Å |
| 24 | M | 60.5 | Low | 56.7 | Low | 115 Ų | 115 | 117.8 Ų | 117.8 | 57% | 0.567 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.3 | -34.3 | 175.7 | -157.5 | 170.5 | -171.2 | 0 | 0 | 111.6 | V19 G22 L27 L28 | V19-M24 HydrophobicContact CG1-CB 3.92Å; G22-M24 PolarHBondContact O-N 3.38Å; M24-L27 PolarHBondContact O-N 2.77Å; M24-L28 WeakPolarHBondContact O-CB 3.41Å; M24-L28 WeakPolarHBondContact O-CG 2.94Å; M24-L28 PolarHBondContact O-N 2.68Å |
| 25 | K | 59 | Low | 57.2 | Low | 163 Ų | 163 | 111 Ų | 111 | 71% | 0.709 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68 | -41.3 | 174.1 | -143.6 | 176.5 | -173.3 | -176.3 | 0 | 111.2 | G22 K23 L28 V29 | G22-K25 PolarHBondContact O-N 3Å; K23-K25 VanDerWaalsContact C-N 3.32Å; K25-L28 PolarHBondContact O-N 3.24Å; K25-V29 WeakPolarHBondContact O-CB 3.27Å; K25-V29 VanDerWaalsContact O-CG2 3.3Å; K25-V29 WeakPolarHBondContact O-CG2 3.46Å; K25-V29 PolarHBondContact O-N 2.95Å |
| 26 | I | 67.2 | Low | 57.8 | Low | 103 Ų | 103 | 110.5 Ų | 110.5 | 53% | 0.528 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.3 | -42.5 | 173 | -65.1 | 170 | 0 | 0 | 0 | 111.3 | G22 K23 V29 F30 | G22-I26 PolarHBondContact O-N 2.83Å; K23-I26 PolarHBondContact O-N 3.01Å; I26-V29 PolarHBondContact O-N 3.31Å; I26-F30 HydrophobicContact CG2-CD2 4.07Å; I26-F30 HydrophobicContact CG2-CE2 4.5Å; I26-F30 WeakPolarHBondContact O-CB 3.13Å; I26-F30 PolarHBondContact O-N 2.88Å |
| 27 | L | 68.4 | Low | 58.3 | Low | 108 Ų | 108 | 107.6 Ų | 107.6 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.6 | -42.7 | 177.4 | -163.5 | 88.7 | 0 | 0 | 0 | 111.8 | K23 M24 F30 L31 | K23-L27 WeakPolarHBondContact O-CB 3.23Å; K23-L27 PolarHBondContact O-N 2.92Å; M24-L27 PolarHBondContact O-N 2.77Å; L27-F30 PolarHBondContact O-N 3.03Å; L27-L31 HydrophobicContact CD2-CD1 4.12Å; L27-L31 HydrophobicContact CG-CD1 4.1Å; L27-L31 WeakPolarHBondContact O-CB 3.39Å; L27-L31 WeakPolarHBondContact O-CG 3.01Å; L27-L31 PolarHBondContact O-N 2.93Å |
| 28 | L | 71.8 | Confident | 58.5 | Low | 111 Ų | 111 | 106.5 Ų | 106.5 | 58% | 0.581 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.4 | -35.6 | 176 | -73.7 | 168.1 | 0 | 0 | 0 | 112.4 | M24 K25 L31 G32 | M24-L28 WeakPolarHBondContact O-CB 3.41Å; M24-L28 WeakPolarHBondContact O-CG 2.94Å; M24-L28 PolarHBondContact O-N 2.68Å; K25-L28 PolarHBondContact O-N 3.24Å; L28-L31 PolarHBondContact O-N 3.39Å; L28-G32 PolarHBondContact O-N 2.83Å |
| 29 | V | 70.8 | Confident | 58.4 | Low | 86 Ų | 86 | 103 Ų | 103 | 52% | 0.521 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.3 | -40.2 | 172 | 168.7 | 0 | 0 | 0 | 0 | 111.2 | K25 I26 G32 L33 | K25-V29 WeakPolarHBondContact O-CB 3.27Å; K25-V29 VanDerWaalsContact O-CG2 3.3Å; K25-V29 WeakPolarHBondContact O-CG2 3.46Å; K25-V29 PolarHBondContact O-N 2.95Å; I26-V29 PolarHBondContact O-N 3.31Å; V29-G32 PolarHBondContact O-N 3.5Å; V29-L33 HydrophobicContact CG1-CD1 3.87Å; V29-L33 HydrophobicContact CG1-CG 4.46Å; V29-L33 WeakPolarHBondContact O-CB 3.22Å; V29-L33 VanDerWaalsContact O-CG 3.27Å; V29-L33 WeakPolarHBondContact O-CG 3.45Å; V29-L33 PolarHBondContact O-N 2.99Å |
| 30 | F | 65.1 | Low | 57.8 | Low | 125 Ų | 125 | 107 Ų | 107 | 55% | 0.548 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.5 | -39.3 | 173.2 | -105.5 | -90.7 | 0 | 0 | 0 | 112.6 | I26 L27 L33 L34 | I26-F30 HydrophobicContact CG2-CD2 4.07Å; I26-F30 HydrophobicContact CG2-CE2 4.5Å; I26-F30 WeakPolarHBondContact O-CB 3.13Å; I26-F30 PolarHBondContact O-N 2.88Å; L27-F30 PolarHBondContact O-N 3.03Å; F30-L33 PolarHBondContact O-N 3.43Å; F30-L34 HydrophobicContact CD1-CD1 4.04Å; F30-L34 WeakPolarHBondContact O-CB 3.29Å; F30-L34 VanDerWaalsContact O-CD1 3.27Å; F30-L34 WeakPolarHBondContact O-CD1 3.38Å; F30-L34 PolarHBondContact O-N 3.05Å |
| 31 | L | 71.5 | Confident | 57.3 | Low | 103 Ų | 103 | 108.3 Ų | 108.3 | 54% | 0.539 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -70.4 | -34.1 | 175 | -77.6 | 163 | 0 | 0 | 0 | 112.2 | L27 L28 G35 | L27-L31 HydrophobicContact CD2-CD1 4.12Å; L27-L31 HydrophobicContact CG-CD1 4.1Å; L27-L31 WeakPolarHBondContact O-CB 3.39Å; L27-L31 WeakPolarHBondContact O-CG 3.01Å; L27-L31 PolarHBondContact O-N 2.93Å; L28-L31 PolarHBondContact O-N 3.39Å; L31-G35 WeakPolarHBondContact O-CA 3.29Å; L31-G35 PolarHBondContact O-N 3.43Å |
| 32 | G | 65.4 | Low | 56.4 | Low | 34 Ų | 34 | 107.4 Ų | 107.4 | 35% | 0.351 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.4 | -43.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L28 V29 G35 N36 | L28-G32 PolarHBondContact O-N 2.83Å; V29-G32 PolarHBondContact O-N 3.5Å; G32-G35 PolarHBondContact O-N 3.35Å; G32-N36 WeakPolarHBondContact O-CB 3.37Å; G32-N36 PolarHBondContact O-N 3.18Å; G32-N36 PolarHBondContact O-ND2 2.92Å |
| 33 | L | 62.3 | Low | 55.4 | Low | 99 Ų | 99 | 113.7 Ų | 113.7 | 52% | 0.518 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66 | -44.6 | 175.8 | -74.4 | 166.8 | 0 | 0 | 0 | 112.1 | V29 F30 S37 | V29-L33 HydrophobicContact CG1-CD1 3.87Å; V29-L33 HydrophobicContact CG1-CG 4.46Å; V29-L33 WeakPolarHBondContact O-CB 3.22Å; V29-L33 VanDerWaalsContact O-CG 3.27Å; V29-L33 WeakPolarHBondContact O-CG 3.45Å; V29-L33 PolarHBondContact O-N 2.99Å; F30-L33 PolarHBondContact O-N 3.43Å; L33-S37 VanDerWaalsContact O-CB 3.26Å; L33-S37 WeakPolarHBondContact O-CB 2.96Å; L33-S37 PolarHBondContact O-N 2.82Å; L33-S37 PolarHBondContact O-OG 2.82Å |
| 34 | L | 59.1 | Low | 54.4 | Low | 100 Ų | 100 | 115.1 Ų | 115.1 | 52% | 0.524 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66 | -41.8 | 173.3 | -95.2 | 81.2 | 0 | 0 | 0 | 111.9 | F30 N36 S37 V38 | F30-L34 HydrophobicContact CD1-CD1 4.04Å; F30-L34 WeakPolarHBondContact O-CB 3.29Å; F30-L34 VanDerWaalsContact O-CD1 3.27Å; F30-L34 WeakPolarHBondContact O-CD1 3.38Å; F30-L34 PolarHBondContact O-N 3.05Å; L34-N36 VanDerWaalsContact C-N 3.34Å; L34-N36 PolarHBondContact O-N 3.34Å; L34-S37 CarbonylContact O-C 3.32Å; L34-S37 PolarHBondContact O-N 2.87Å; L34-V38 WeakPolarHBondContact O-CG2 3.09Å; L34-V38 PolarHBondContact O-N 3.42Å |
| 35 | G | 52.8 | Low | 53.2 | Low | 44 Ų | 44 | 115.1 Ų | 115.1 | 45% | 0.454 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -58.1 | -46.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L31 G32 S37 V38 | L31-G35 WeakPolarHBondContact O-CA 3.29Å; L31-G35 PolarHBondContact O-N 3.43Å; G32-G35 PolarHBondContact O-N 3.35Å; G35-S37 VanDerWaalsContact C-N 3.29Å; G35-S37 PolarHBondContact O-N 3.43Å; G35-V38 PolarHBondContact O-N 2.96Å |
| 36 | N | 49.9 | Very low | 51.9 | Low | 133 Ų | 133 | 119 Ų | 119 | 71% | 0.711 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -70.8 | -22.1 | 174.8 | -66.6 | -12.1 | 0 | 0 | 0 | 113.1 | G32 L34 | G32-N36 WeakPolarHBondContact O-CB 3.37Å; G32-N36 PolarHBondContact O-N 3.18Å; G32-N36 PolarHBondContact O-ND2 2.92Å; L34-N36 VanDerWaalsContact C-N 3.34Å; L34-N36 PolarHBondContact O-N 3.34Å |
| 37 | S | 48.8 | Very low | 50.2 | Low | 84 Ų | 84 | 123 Ų | 123 | 59% | 0.587 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -87.7 | -11.3 | 177.7 | -58.1 | 0 | 0 | 0 | 0 | 114.5 | L33 L34 G35 | L33-S37 VanDerWaalsContact O-CB 3.26Å; L33-S37 WeakPolarHBondContact O-CB 2.96Å; L33-S37 PolarHBondContact O-N 2.82Å; L33-S37 PolarHBondContact O-OG 2.82Å; L34-S37 CarbonylContact O-C 3.32Å; L34-S37 PolarHBondContact O-N 2.87Å; G35-S37 VanDerWaalsContact C-N 3.29Å; G35-S37 PolarHBondContact O-N 3.43Å |
| 38 | V | 48 | Very low | 48.7 | Very low | 126 Ų | 126 | 124.1 Ų | 124.1 | 76% | 0.764 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -101.8 | 1.9 | 174 | -178 | 0 | 0 | 0 | 0 | 111.4 | L34 G35 M40 | L34-V38 WeakPolarHBondContact O-CG2 3.09Å; L34-V38 PolarHBondContact O-N 3.42Å; G35-V38 PolarHBondContact O-N 2.96Å; V38-M40 VanDerWaalsContact C-N 3.32Å; V38-M40 PolarHBondContact O-N 3.26Å |
| 39 | A | 46.7 | Very low | 46.7 | Very low | 76 Ų | 76 | 121.9 Ų | 121.9 | 63% | 0.628 | 68% | 0.684 | S | S | * | * | | | trans | -92 | 28.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | P41 | A39-P41 WeakPolarHBondContact O-CD 3.32Š|
| 40 | M | 33.3 | Very low | 44.8 | Very low | 158 Ų | 158 | 128 Ų | 128 | 78% | 0.778 | 70% | 0.703 | S | S | * | * | | | trans | -74.2 | 120.6 | 170.9 | -85.2 | -76.9 | -176.7 | 0 | 0 | 110.4 | V38 M42 | V38-M40 VanDerWaalsContact C-N 3.32Å; V38-M40 PolarHBondContact O-N 3.26Å; M40-M42 PolarHBondContact O-N 3.5Å; M40-M42 VanDerWaalsContact O-N 3.15Å |
| 41 | P | 39.5 | Very low | 42.9 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 74% | 0.74 | 72% | 0.717 | S | S | * | * | | | trans | -71.2 | 109.7 | 174.8 | 28.5 | -32.7 | 0 | 0 | 0 | 110.2 | A39 H43 | A39-P41 WeakPolarHBondContact O-CD 3.32Å; P41-H43 PolarHBondContact O-N 2.81Å |
| 42 | M | 33.5 | Very low | 40.8 | Very low | 183 Ų | 183 | 127 Ų | 127 | 90% | 0.901 | 72% | 0.721 | S | S | * | * | | | trans | -65.9 | 99 | 173.3 | -84.3 | -169.2 | -81.8 | 0 | 0 | 110.5 | M40 M44 | M40-M42 PolarHBondContact O-N 3.5Å; M40-M42 VanDerWaalsContact O-N 3.15Å; M42-M44 VanDerWaalsContact C-N 3.26Å; M42-M44 PolarHBondContact O-N 3.49Å |
| 43 | H | 33.9 | Very low | 39.1 | Very low | 182 Ų | 182 | 134.6 Ų | 134.6 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | | | trans | -77.2 | 71.7 | -175 | -155.2 | -68.6 | 0 | 0 | 0 | 112.1 | P41 | P41-H43 PolarHBondContact O-N 2.81Š|
| 44 | M | 33.9 | Very low | 37.6 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 84% | 0.837 | 76% | 0.758 | S | S | * | * | | | trans | -69.7 | 128 | -176.7 | -151.5 | 172.7 | -166.8 | 0 | 0 | 111.1 | M42 R46 | M42-M44 VanDerWaalsContact C-N 3.26Å; M42-M44 PolarHBondContact O-N 3.49Å; M44-R46 PolarHBondContact O-N 3.44Å |
| 45 | P | 35.4 | Very low | 36.2 | Very low | 116 Ų | 116 | 139 Ų | 139 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | | | trans | -75.1 | 124.1 | -170.3 | 28.3 | -34.7 | 0 | 0 | 0 | 112.5 | M47 | P45-M47 PolarHBondContact O-N 2.83Š|
| 46 | R | 33.5 | Very low | 35.3 | Very low | 245 Ų | 245 | 144.5 Ų | 144.5 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | | | trans | -76.1 | 112.4 | 170.9 | -89.9 | -175 | 164.7 | 125.2 | -4.4 | 111 | M44 | M44-R46 PolarHBondContact O-N 3.44Š|
| 47 | M | 31.4 | Very low | 34.3 | Very low | 187 Ų | 187 | 147.2 Ų | 147.2 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | | | trans | -75.8 | 130 | 158.9 | -74.8 | -176.6 | 161.2 | 0 | 0 | 110.1 | P45 | P45-M47 PolarHBondContact O-N 2.83Š|
| 48 | P | 36.1 | Very low | 33.4 | Very low | 131 Ų | 131 | 150.3 Ų | 150.3 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | | | trans | -90.2 | 121.8 | 171.1 | 32.8 | -29.9 | 0 | 0 | 0 | 111.2 | | |
| 49 | G | 30.7 | Very low | 32.6 | Very low | 64 Ų | 64 | 156 Ų | 156 | 66% | 0.66 | 81% | 0.811 | S | S | * | * | | | trans | 176.8 | 102.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 50 | F | 29.1 | Very low | 31.8 | Very low | 214 Ų | 214 | 162.2 Ų | 162.2 | 94% | 0.939 | 82% | 0.82 | S | S | * | * | | | trans | 70.5 | 145.4 | 153.2 | -67.2 | -84.4 | 0 | 0 | 0 | 122.5 | | |
| 51 | S | 25.8 | Very low | 31.6 | Very low | 119 Ų | 119 | 161 Ų | 161 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | | | trans | 82.9 | 143.8 | 157.7 | -154.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 52 | S | 28.1 | Very low | 31 | Very low | 88 Ų | 88 | 161.9 Ų | 161.9 | 62% | 0.615 | 81% | 0.811 | S | S | * | * | | | cis | -174.9 | 116.8 | -39.4 | 166.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 53 | K | 29.2 | Very low | 30.9 | Very low | 194 Ų | 194 | 161 Ų | 161 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | | | trans | 62.7 | 166.3 | 152.6 | -68.1 | -174.4 | 174.6 | -176 | 0 | 120 | | |
| 54 | S | 29.9 | Very low | 30.5 | Very low | 115 Ų | 115 | 158 Ų | 158 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | 71.9 | 146.4 | -175.5 | -44.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 55 | E | 31.1 | Very low | 30.2 | Very low | 176 Ų | 176 | 158.3 Ų | 158.3 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | cis | -141.3 | 174.7 | 12.4 | -155.4 | 155.4 | 141 | 0 | 0 | 112.7 | | |
| 56 | E | 32.8 | Very low | 29.8 | Very low | 159 Ų | 159 | 159.8 Ų | 159.8 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | | | trans | -42.4 | 144.6 | -165.8 | -56.2 | -179.8 | 159.2 | 0 | 0 | 120.8 | | |
| 57 | M | 30.6 | Very low | 29.5 | Very low | 191 Ų | 191 | 152.3 Ų | 152.3 | 94% | 0.941 | 77% | 0.77 | S | S | * | * | | | | -153.9 | 148.2 | 107.5 | -131.7 | 171.1 | 64.2 | 0 | 0 | 112.2 | | |
| 58 | M | 28.4 | Very low | 29.3 | Very low | 149 Ų | 149 | 150.5 Ų | 150.5 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | -99.2 | 151.4 | -166.4 | -64.2 | -169.2 | -75.8 | 0 | 0 | 115.2 | | |
| 59 | R | 32.1 | Very low | 29.2 | Very low | 245 Ų | 245 | 149.4 Ų | 149.4 | 93% | 0.925 | 76% | 0.756 | S | S | * | * | | | trans | -162.9 | 98.8 | 139 | -107 | 167 | -151.1 | -142.3 | 5.5 | 113.2 | | |
| 60 | Y | 29.3 | Very low | 29.1 | Very low | 206 Ų | 206 | 154.8 Ų | 154.8 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | | | trans | 37.2 | 140 | 148 | -80.9 | -90.8 | 0 | 0 | 0 | 124.1 | | |
| 61 | N | 29.3 | Very low | 29.1 | Very low | 132 Ų | 132 | 153.1 Ų | 153.1 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | trans | 86.2 | 141.7 | 155.9 | -62.1 | -2.3 | 0 | 0 | 0 | 120.3 | | |
| 62 | Q | 27.4 | Very low | 29.3 | Very low | 133 Ų | 133 | 150.9 Ų | 150.9 | 62% | 0.621 | 75% | 0.752 | S | S | * | * | | | cis | -177.4 | 131 | -42.2 | 158.7 | 168.1 | 25.1 | 0 | 0 | 109.6 | | |
| 63 | F | 30.1 | Very low | 29.5 | Very low | 165 Ų | 165 | 155.4 Ų | 155.4 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | | | trans | 64.1 | 154.1 | 171.5 | -62 | -31.5 | 0 | 0 | 0 | 116.6 | | |
| 64 | N | 27.1 | Very low | 29.6 | Very low | 118 Ų | 118 | 154.7 Ų | 154.7 | 63% | 0.631 | 77% | 0.767 | S | S | * | * | | | cis | -150.3 | 176.2 | -9.5 | -117.1 | -13.3 | 0 | 0 | 0 | 113.2 | | |
| 65 | F | 26.8 | Very low | 29.5 | Very low | 178 Ų | 178 | 151.8 Ų | 151.8 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | | | trans | -44.9 | 169.5 | 178 | -58.6 | -88.4 | 0 | 0 | 0 | 117.5 | | |
| 66 | M | 26.3 | Very low | 29.9 | Very low | 146 Ų | 146 | 149.1 Ų | 149.1 | 72% | 0.719 | 75% | 0.754 | S | S | * | * | | | cis | 164.3 | 128.6 | -24.2 | -171.8 | 176.4 | -173.8 | 0 | 0 | 107.1 | | |
| 67 | T | 28.2 | Very low | 29.9 | Very low | 88 Ų | 88 | 151.5 Ų | 151.5 | 54% | 0.54 | 76% | 0.762 | S | S | . | * | | | trans | 64.6 | 138.2 | 158.7 | 49.1 | 0 | 0 | 0 | 0 | 123.3 | | |
| 68 | L | 26.5 | Very low | 29.8 | Very low | 150 Ų | 150 | 152.4 Ų | 152.4 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | | | trans | -66 | 148.6 | 164.4 | -68.1 | 68.6 | 0 | 0 | 0 | 112.7 | | |
| 69 | P | 34.6 | Very low | 29.6 | Very low | 108 Ų | 108 | 148.8 Ų | 148.8 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | | | trans | -99.4 | 139.5 | 164.3 | 35.5 | -29.7 | 0 | 0 | 0 | 114.3 | | |
| 70 | H | 28.9 | Very low | 29.5 | Very low | 177 Ų | 177 | 145.7 Ų | 145.7 | 82% | 0.819 | 76% | 0.764 | S | S | * | * | | | trans | 44.2 | 108.2 | 146 | -62.8 | -72.1 | 0 | 0 | 0 | 122.5 | | |
| 71 | L | 29.4 | Very low | 29.6 | Very low | 179 Ų | 179 | 139.5 Ų | 139.5 | 94% | 0.937 | 76% | 0.762 | S | S | * | * | | | trans | -68.9 | 146.4 | 131.7 | -111 | 158.9 | 0 | 0 | 0 | 109.4 | | |
| 72 | A | 30 | Very low | 29.9 | Very low | 71 Ų | 71 | 141.2 Ų | 141.2 | 59% | 0.587 | 77% | 0.771 | S | S | * | * | | | trans | -150.7 | 147.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 73 | H | 32.2 | Very low | 30.5 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | | | trans | 58.9 | 115.6 | 166.1 | -72.6 | 80.8 | 0 | 0 | 0 | 119.5 | | |
| 74 | L | 31.1 | Very low | 30.5 | Very low | 179 Ų | 179 | 140 Ų | 140 | 94% | 0.937 | 78% | 0.778 | S | S | * | * | | | | -153 | 135.9 | 108.6 | -109 | 166.1 | 0 | 0 | 0 | 110.6 | | |
| 75 | G | 27.1 | Very low | 30.7 | Very low | 55 Ų | 55 | 143.9 Ų | 143.9 | 57% | 0.567 | 79% | 0.793 | S | S | * | * | | | trans | -107.1 | 164.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 76 | P | 40.3 | Very low | 31 | Very low | 119 Ų | 119 | 143.4 Ų | 143.4 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | -88.3 | 153.9 | -170.5 | 35.2 | -36 | 0 | 0 | 0 | 114 | | |
| 77 | F | 31.8 | Very low | 31.8 | Very low | 210 Ų | 210 | 141.6 Ų | 141.6 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | | | trans | -137.6 | 156.9 | 164.3 | -96.6 | -82.6 | 0 | 0 | 0 | 112.4 | | |
| 78 | F | 28.1 | Very low | 31.8 | Very low | 209 Ų | 209 | 144.4 Ų | 144.4 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | | | trans | -95 | 164.1 | -167.6 | -74.4 | -118.2 | 0 | 0 | 0 | 113.3 | | |
| 79 | G | 25.8 | Very low | 31.9 | Very low | 74 Ų | 74 | 146.2 Ų | 146.2 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | | | trans | 150.7 | 120.6 | 145.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 80 | N | 29.6 | Very low | 31.8 | Very low | 180 Ų | 180 | 148.4 Ų | 148.4 | 96% | 0.963 | 80% | 0.795 | S | S | * | * | | | trans | -89.2 | 145.7 | 174.2 | -67.3 | -26.6 | 0 | 0 | 0 | 112.1 | | |
| 81 | G | 31.4 | Very low | 32 | Very low | 75 Ų | 75 | 148.7 Ų | 148.7 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | -176.6 | 122.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 82 | L | 35.7 | Very low | 32.6 | Very low | 168 Ų | 168 | 146 Ų | 146 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | | | trans | -132.8 | 146.9 | 172 | -85.5 | 169.3 | 0 | 0 | 0 | 108.8 | | |
| 83 | P | 38.9 | Very low | 32.6 | Very low | 125 Ų | 125 | 151 Ų | 151 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | | | | -146.6 | 119.7 | 105.5 | 34.4 | -17 | 0 | 0 | 0 | 116 | | |
| 84 | Q | 30 | Very low | 32.9 | Very low | 148 Ų | 148 | 154.1 Ų | 154.1 | 69% | 0.692 | 81% | 0.81 | S | S | * | * | | | | 28.9 | 115.9 | 126.5 | -169.1 | 178.1 | 22 | 0 | 0 | 120.7 | F86 | Q84-F86 HydrophobicContact CG-CD2 3.77Å; Q84-F86 HydrophobicContact CG-CE2 3.91Å |
| 85 | Q | 33.2 | Very low | 33.5 | Very low | 200 Ų | 200 | 151.3 Ų | 151.3 | 94% | 0.935 | 80% | 0.803 | S | S | * | * | | | trans | -144.7 | 147.9 | 130.7 | -108.2 | 174.8 | 10.2 | 0 | 0 | 109.9 | | |
| 86 | F | 31.3 | Very low | 33.7 | Very low | 168 Ų | 168 | 157.4 Ų | 157.4 | 74% | 0.737 | 82% | 0.816 | S | S | * | * | | | trans | -118.7 | 177 | -167.3 | -90.3 | -74.1 | 0 | 0 | 0 | 110.2 | Q84 | Q84-F86 HydrophobicContact CG-CD2 3.77Å; Q84-F86 HydrophobicContact CG-CE2 3.91Å |
| 87 | P | 43.5 | Very low | 33.8 | Very low | 107 Ų | 107 | 157.5 Ų | 157.5 | 70% | 0.695 | 82% | 0.817 | S | S | * | * | | | cis | -137 | -164.5 | 20 | 49.6 | -31.5 | 0 | 0 | 0 | 113.2 | | |
| 88 | Q | 27.8 | Very low | 34.2 | Very low | 148 Ų | 148 | 153.1 Ų | 153.1 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | | | cis | -157.4 | 138 | -3.5 | -148.3 | 165.1 | -33.9 | 0 | 0 | 109.7 | | |
| 89 | Y | 30 | Very low | 34.6 | Very low | 187 Ų | 187 | 149.5 Ų | 149.5 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | | | trans | 46 | 157.7 | 141.7 | -74.5 | -136.2 | 0 | 0 | 0 | 120.8 | | |
| 90 | Q | 31.5 | Very low | 34.6 | Very low | 155 Ų | 155 | 156.8 Ų | 156.8 | 72% | 0.724 | 81% | 0.812 | S | S | * | * | | | cis | -163.3 | 149.9 | -22.5 | -112.9 | -178 | -12.2 | 0 | 0 | 105.8 | | |
| 91 | M | 34.5 | Very low | 34.6 | Very low | 183 Ų | 183 | 155.2 Ų | 155.2 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 131.9 | 166.7 | -71.6 | -178.4 | 70.9 | 0 | 0 | 110.5 | | |
| 92 | P | 40.4 | Very low | 34.9 | Very low | 122 Ų | 122 | 156.7 Ų | 156.7 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 126.1 | 166.5 | 31.7 | -30.6 | 0 | 0 | 0 | 110.8 | | |
| 93 | M | 30.4 | Very low | 34.7 | Very low | 176 Ų | 176 | 154.9 Ų | 154.9 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 166.3 | 162.4 | -73.7 | 156.6 | 45.3 | 0 | 0 | 110.8 | | |
| 94 | W | 38.3 | Very low | 34.3 | Very low | 249 Ų | 249 | 155.3 Ų | 155.3 | 94% | 0.943 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 135.5 | 168.8 | -77.1 | 75.3 | 0 | 0 | 0 | 111.6 | | |
| 95 | P | 43.1 | Very low | 35.1 | Very low | 120 Ų | 120 | 152.8 Ų | 152.8 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -77 | 133.6 | 173.2 | 30.7 | -33.1 | 0 | 0 | 0 | 111.6 | | |
| 96 | Q | 31.9 | Very low | 35 | Very low | 182 Ų | 182 | 148.3 Ų | 148.3 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 154.5 | 162.3 | -76 | -172.5 | -17.1 | 0 | 0 | 111 | | |
| 97 | P | 43.3 | Very low | 34.8 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 135.5 | -179.7 | 31.1 | -34.6 | 0 | 0 | 0 | 113 | | |
| 98 | P | 40.2 | Very low | 34.3 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 160.9 | 170.4 | 34.3 | -33.8 | 0 | 0 | 0 | 113.4 | | |
| 99 | P | 35.8 | Very low | 34.4 | Very low | 134 Ų | 134 | 146.8 Ų | 146.8 | 87% | 0.87 | 76% | 0.758 | S | S | * | * | | | trans | -87.6 | -176.7 | -172.3 | 35.9 | -38 | 0 | 0 | 0 | 115.9 | | |
| 100 | W | 25.7 | Very low | 34.3 | Very low | 227 Ų | 227 | 147 Ų | 147 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | | | trans | -94.8 | 142.7 | -167.2 | -105.1 | 22.4 | 0 | 0 | 0 | 116.9 | | |
| 101 | H | 30.5 | Very low | 34.3 | Very low | 147 Ų | 147 | 145.3 Ų | 145.3 | 68% | 0.681 | 75% | 0.75 | S | S | * | * | | | trans | 71.2 | 163.2 | 151.8 | -61.7 | -21.1 | 0 | 0 | 0 | 119.6 | | |
| 102 | P | 37.3 | Very low | 34.1 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 69% | 0.688 | 74% | 0.738 | S | S | * | * | | | cis | -139.5 | -177.6 | 7.4 | 44.3 | -25.9 | 0 | 0 | 0 | 119.6 | | |
| 103 | Q | 30.2 | Very low | 33.6 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 60% | 0.603 | 74% | 0.738 | S | S | * | * | | | trans | 84.7 | 95.3 | 151 | -79.1 | -177.2 | -10.3 | 0 | 0 | 127.2 | F157 P158 P159 | Q103-F157 WeakPolarHBondContact CA-O 3.37Å; Q103-P158 CarbonylContact C-O 2.99Å; Q103-P158 WeakPolarHBondContact CA-O 3.47Å; Q103-P158 PolarHBondContact N-O 2.84Å; Q103-P158 VanDerWaalsContact N-O 3.09Å; Q103-P159 VanDerWaalsContact C-CD 3.45Å; Q103-P159 WeakPolarHBondContact O-CD 3.46Å; Q103-P159 WeakPolarHBondContact O-CG 3.35Å |
| 104 | K | 32.4 | Very low | 33.6 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 59% | 0.587 | 73% | 0.726 | S | S | * | * | | | trans | -75.7 | 143.8 | 169.8 | -84.3 | 152.3 | -179.1 | 175 | 0 | 94.2 | F157 P158 | K104-F157 HydrophobicContact CB-CD1 4.25Å; K104-F157 PolarHBondContact N-O 3.32Å; K104-F157 CarbonylContact O-C 2.93Å; K104-F157 WeakPolarHBondContact O-CB 3Å; K104-P158 HydrophobicContact CB-CB 2.3Å; K104-P158 HydrophobicContact CB-CG 2.31Å; K104-P158 HydrophobicContact CD-CB 4.3Å; K104-P158 HydrophobicContact CG-CB 2.78Å; K104-P158 HydrophobicContact CG-CG 3.42Å; K104-P158 VanDerWaalsContact CG-CG 3.42Å; K104-P158 PolarHBondContact N-O 3.45Å; K104-P158 WeakPolarHBondContact O-CD 3.47Å |
| 105 | P | 45.8 | Very low | 33.2 | Very low | 95 Ų | 95 | 136.6 Ų | 136.6 | 62% | 0.617 | 72% | 0.717 | S | S | * | * | | | | -141.6 | 168.1 | 98.1 | 30.7 | -11.1 | 0 | 0 | 0 | 116.7 | P158 | P105-P158 VanDerWaalsContact N-CD 3.32Š|
| 106 | S | 31.2 | Very low | 32.9 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | | | trans | 72.9 | 146.1 | 178 | 78.5 | 0 | 0 | 0 | 0 | 117.9 | | |
| 107 | G | 27.8 | Very low | 32.8 | Very low | 64 Ų | 64 | 137.4 Ų | 137.4 | 66% | 0.66 | 72% | 0.72 | S | S | * | * | | | cis | 164.4 | 146.6 | -16.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 108 | Q | 31.4 | Very low | 32.5 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 78% | 0.78 | 71% | 0.709 | S | S | * | * | | | trans | 66.4 | 159.7 | 168.9 | -55.7 | -171.8 | 22.9 | 0 | 0 | 114.6 | | |
| 109 | K | 30.8 | Very low | 32.1 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 70% | 0.696 | 70% | 0.697 | S | S | * | * | | | cis | -161.3 | 155.6 | -14.3 | -112.2 | 167.2 | -170 | 159 | 0 | 104.9 | | |
| 110 | R | 28.8 | Very low | 32 | Very low | 193 Ų | 193 | 133.1 Ų | 133.1 | 73% | 0.728 | 67% | 0.672 | S | S | * | * | | | cis | -146.8 | -138.1 | 0.2 | -145.5 | 163.3 | 169.6 | -155.9 | 8.6 | 104.8 | | |
| 111 | H | 31.5 | Very low | 32.4 | Very low | 119 Ų | 119 | 128 Ų | 128 | 55% | 0.551 | 66% | 0.658 | S | S | * | * | | | cis | -157.1 | 137.4 | -4 | -134.1 | -44.9 | 0 | 0 | 0 | 110.8 | | |
| 112 | N | 29.8 | Very low | 32.3 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 65% | 0.652 | 66% | 0.661 | S | S | * | * | | | trans | 65.7 | 123.7 | 151.6 | -72.8 | 1.5 | 0 | 0 | 0 | 123.3 | | |
| 113 | K | 30.2 | Very low | 32.8 | Very low | 185 Ų | 185 | 129.3 Ų | 129.3 | 80% | 0.804 | 66% | 0.661 | S | S | * | * | | | trans | 74.9 | 145.2 | 135.4 | -75.7 | -163.4 | 172.1 | -166.4 | 0 | 117.5 | | |
| 114 | T | 30.7 | Very low | 32.8 | Very low | 101 Ų | 101 | 130.1 Ų | 130.1 | 62% | 0.62 | 67% | 0.67 | S | S | * | * | | | cis | 158.8 | 137.8 | -9 | -100.2 | 0 | 0 | 0 | 0 | 103 | | |
| 115 | D | 29.6 | Very low | 32.7 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 74% | 0.743 | 68% | 0.679 | S | S | * | * | | | cis | -151.4 | 163.5 | -19 | -89.4 | -47.3 | 0 | 0 | 0 | 107.3 | | |
| 116 | Q | 36.1 | Very low | 32.2 | Very low | 174 Ų | 174 | 132.2 Ų | 132.2 | 81% | 0.813 | 68% | 0.681 | S | S | * | * | | | trans | -82.1 | 167.4 | 162 | -68.1 | -177.3 | -6.6 | 0 | 0 | 110.1 | | |
| 117 | T | 30.8 | Very low | 32.2 | Very low | 145 Ų | 145 | 135.9 Ų | 135.9 | 89% | 0.89 | 69% | 0.686 | S | S | * | * | | | trans | -144.7 | 127.4 | 149.4 | -41.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 118 | Q | 35.3 | Very low | 32.2 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 56% | 0.561 | 69% | 0.688 | S | S | * | * | | | trans | -130.5 | -174.1 | 168 | -170.8 | 169.4 | -4.2 | 0 | 0 | 106.5 | | |
| 119 | E | 33.1 | Very low | 32.4 | Very low | 105 Ų | 105 | 139.3 Ų | 139.3 | 49% | 0.491 | 69% | 0.693 | S | S | . | * | | | trans | 82 | 159.3 | 174.7 | -49.5 | -173.9 | 155.9 | 0 | 0 | 116 | P147 E148 | E119-P147 HydrophobicContact CB-CB 4.12Å; E119-P147 HydrophobicContact CG-CB 3.82Å; E119-P147 WeakPolarHBondContact OE1-CA 3.08Å; E119-P147 VanDerWaalsContact OE1-CB 3.23Å; E119-P147 WeakPolarHBondContact OE1-CB 3.24Å; E119-P147 WeakPolarHBondContact OE2-CB 3.38Å; E119-E148 PolarHBondContact OE1-N 3.38Å |
| 120 | T | 33.9 | Very low | 32.4 | Very low | 58 Ų | 58 | 141.1 Ų | 141.1 | 36% | 0.356 | 70% | 0.701 | S | S | . | * | | | | 167.1 | 149 | -53.8 | -80.2 | 0 | 0 | 0 | 0 | 108.5 | Q146 P147 | T120-Q146 WeakPolarHBondContact CB-O 3.16Å; T120-Q146 WeakPolarHBondContact CG2-O 3.21Å; T120-Q146 PolarHBondContact OG1-O 2.84Å; T120-P147 HydrophobicContact CG2-CG 4.28Å |
| 121 | Q | 33 | Very low | 33.4 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 56% | 0.561 | 70% | 0.702 | S | S | * | * | | | trans | 90.2 | 148.1 | 154.1 | -105.9 | -177.3 | 73.4 | 0 | 0 | 123.3 | | |
| 122 | K | 29.8 | Very low | 34 | Very low | 173 Ų | 173 | 137 Ų | 137 | 75% | 0.752 | 71% | 0.71 | S | S | * | * | | | trans | 86.9 | 155.8 | 147.8 | -94.3 | 168.6 | -179.3 | 141.4 | 0 | 118.8 | | |
| 123 | P | 45.9 | Very low | 34.2 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 69% | 0.688 | 72% | 0.715 | S | S | * | * | | | | -139.3 | -163.8 | -106.3 | 44.7 | -26.4 | 0 | 0 | 0 | 116.3 | | |
| 124 | N | 30.1 | Very low | 34.5 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 78% | 0.781 | 71% | 0.713 | S | S | * | * | | | trans | 105 | 140.9 | 151.4 | -94.5 | -25.6 | 0 | 0 | 0 | 121.8 | | |
| 125 | Q | 32.2 | Very low | 34.6 | Very low | 167 Ų | 167 | 144.8 Ų | 144.8 | 78% | 0.78 | 73% | 0.725 | S | S | * | * | | | trans | 80.7 | 120.3 | 151.1 | -76.3 | -163.8 | 36.9 | 0 | 0 | 124.8 | | |
| 126 | T | 33.8 | Very low | 35.1 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 66% | 0.656 | 72% | 0.724 | S | S | * | * | | | | 79.6 | 98.5 | 123.6 | -50 | 0 | 0 | 0 | 0 | 122.9 | | |
| 127 | Q | 30.8 | Very low | 34.8 | Very low | 182 Ų | 182 | 141 Ų | 141 | 85% | 0.85 | 72% | 0.716 | S | S | * | * | | | trans | 49.8 | 125.4 | 134.7 | -63.3 | -168.1 | 2.3 | 0 | 0 | 124.5 | | |
| 128 | S | 29.2 | Very low | 34.8 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 70% | 0.699 | 70% | 0.695 | S | S | * | * | | | | 74.9 | 104.8 | 128 | -162.4 | 0 | 0 | 0 | 0 | 122 | | |
| 129 | K | 34.7 | Very low | 35.1 | Very low | 204 Ų | 204 | 138.5 Ų | 138.5 | 89% | 0.887 | 69% | 0.693 | S | S | * | * | | | | -175.3 | 154.8 | 110.5 | -97.7 | 162.1 | -175.5 | 174.6 | 0 | 113.2 | | |
| 130 | K | 31.4 | Very low | 35.7 | Very low | 198 Ų | 198 | 136.9 Ų | 136.9 | 86% | 0.861 | 69% | 0.691 | S | S | * | * | | | trans | -93.2 | 174.3 | 164.8 | -79.1 | -178.1 | 177 | 178.5 | 0 | 109.3 | | |
| 131 | P | 50.2 | Low | 35.3 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | | | cis | -122 | -147.3 | -42.2 | 38.5 | -19.3 | 0 | 0 | 0 | 107.6 | | |
| 132 | P | 44.6 | Very low | 35.4 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 71% | 0.708 | 70% | 0.7 | S | S | * | * | | | cis | -136.9 | -177.9 | -11.2 | 43.3 | -25.6 | 0 | 0 | 0 | 117 | | |
| 133 | Q | 33.4 | Very low | 35.9 | Very low | 161 Ų | 161 | 136 Ų | 136 | 75% | 0.752 | 70% | 0.7 | S | S | * | * | | | trans | 80.4 | 143.1 | 150.9 | -86.5 | -161.3 | 24 | 0 | 0 | 122.5 | | |
| 134 | K | 35.1 | Very low | 35.8 | Very low | 175 Ų | 175 | 136.6 Ų | 136.6 | 76% | 0.761 | 71% | 0.705 | S | S | * | * | | | trans | 70.8 | 106.6 | 157.8 | -72 | 170.4 | -178.2 | 171.5 | 0 | 119.4 | | |
| 135 | R | 33.8 | Very low | 36.1 | Very low | 236 Ų | 236 | 132 Ų | 132 | 89% | 0.891 | 69% | 0.687 | S | S | * | * | | | | 48 | 145.6 | 124.1 | -70.9 | -173.6 | 175.9 | -176.8 | -1.3 | 120 | | |
| 136 | P | 40 | Very low | 36.4 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 71% | 0.708 | 68% | 0.681 | S | S | * | * | | | cis | -132 | -179 | -36.8 | 38.4 | -22.5 | 0 | 0 | 0 | 111.2 | | |
| 137 | L | 29.2 | Very low | 36.9 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 65% | 0.649 | 66% | 0.663 | S | S | * | * | | | trans | 39 | 123.1 | 155.8 | -102.4 | 58.2 | 0 | 0 | 0 | 119.3 | | |
| 138 | K | 31.1 | Very low | 36.9 | Very low | 101 Ų | 101 | 126.5 Ų | 126.5 | 44% | 0.439 | 66% | 0.657 | S | S | . | * | | | trans | 77.6 | 88.3 | 135.5 | -74 | 174.1 | -175.6 | 171.5 | 0 | 120 | W307 P309 | K138-W307 WeakPolarHBondContact CD-O 3.36Å; K138-P309 CarbonylContact C-O 3.51Å; K138-P309 WeakPolarHBondContact CA-O 3.43Å; K138-P309 VanDerWaalsContact CB-C 3.47Å; K138-P309 WeakPolarHBondContact CB-O 3.27Å; K138-P309 VanDerWaalsContact CG-C 3.46Å; K138-P309 WeakPolarHBondContact CG-O 3.26Å |
| 139 | Q | 42.6 | Very low | 37 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 52% | 0.519 | 67% | 0.665 | S | S | . | * | | | | -155.5 | -144.2 | 104.9 | -143.5 | -173.1 | -23.2 | 0 | 0 | 118.4 | P309 S310 | Q139-P309 WeakPolarHBondContact CA-O 3.34Å; Q139-P309 WeakPolarHBondContact CB-O 3.45Å; Q139-P309 VanDerWaalsContact CD-CG 3.44Å; Q139-P309 HydrophobicContact CG-CB 4.18Å; Q139-P309 HydrophobicContact CG-CG 3.78Å; Q139-P309 WeakPolarHBondContact CG-O 3.03Å; Q139-P309 PolarHBondContact N-O 3.05Å; Q139-S310 WeakPolarHBondContact CA-OG 3.45Å; Q139-S310 WeakPolarHBondContact O-CB 3.11Å; Q139-S310 PolarHBondContact O-OG 2.83Å |
| 140 | P | 44.3 | Very low | 36.9 | Very low | 72 Ų | 72 | 129.7 Ų | 129.7 | 47% | 0.468 | 66% | 0.664 | S | S | . | * | | | | -112.5 | -177 | -107.9 | 18.2 | 2.6 | 0 | 0 | 0 | 117.5 | H142 | P140-H142 HydrophobicContact CB-CB 4.35Š|
| 141 | S | 26.2 | Very low | 36.9 | Very low | 58 Ų | 58 | 123.9 Ų | 123.9 | 41% | 0.406 | 65% | 0.653 | S | S | . | * | | | trans | 166.7 | 90 | 135.5 | 39.5 | 0 | 0 | 0 | 0 | 113.6 | P312 N313 | S141-P312 WeakPolarHBondContact O-CG 3.47Å; S141-N313 PolarHBondContact O-ND2 3.45Å |
| 142 | H | 35.3 | Very low | 36.1 | Very low | 148 Ų | 148 | 127.4 Ų | 127.4 | 69% | 0.685 | 66% | 0.66 | S | S | * | * | | | cis | 64.5 | 130.1 | 36.6 | -119.9 | -65.6 | 0 | 0 | 0 | 115 | P140 | P140-H142 HydrophobicContact CB-CB 4.35Š|
| 143 | T | 40.6 | Very low | 36.3 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 77% | 0.767 | 66% | 0.661 | S | S | * | * | | | trans | 68.3 | 170.6 | 157.9 | 25.9 | 0 | 0 | 0 | 0 | 117.4 | | |
| 144 | P | 44 | Very low | 36.8 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 78% | 0.779 | 66% | 0.659 | S | S | * | * | | | cis | -128.8 | -165.9 | 17.1 | 42.4 | -23.8 | 0 | 0 | 0 | 116.8 | | |
| 145 | A | 35.2 | Very low | 36.7 | Very low | 49 Ų | 49 | 125.3 Ų | 125.3 | 41% | 0.405 | 66% | 0.663 | S | S | . | * | | | trans | -107.6 | -171.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 146 | Q | 38.9 | Very low | 36.6 | Very low | 142 Ų | 142 | 116.9 Ų | 116.9 | 66% | 0.664 | 64% | 0.643 | S | S | * | * | | | trans | -60.8 | 166.7 | 177.6 | -65.8 | 178.1 | -98.4 | 0 | 0 | 114.5 | T120 | T120-Q146 WeakPolarHBondContact CB-O 3.16Å; T120-Q146 WeakPolarHBondContact CG2-O 3.21Å; T120-Q146 PolarHBondContact OG1-O 2.84Å |
| 147 | P | 43.9 | Very low | 36.1 | Very low | 41 Ų | 41 | 119 Ų | 119 | 27% | 0.266 | 64% | 0.642 | S | S | . | * | | | | -139.7 | 166.5 | 108.4 | 40.7 | -29.4 | 0 | 0 | 0 | 117.5 | E119 T120 | E119-P147 HydrophobicContact CB-CB 4.12Å; E119-P147 HydrophobicContact CG-CB 3.82Å; E119-P147 WeakPolarHBondContact OE1-CA 3.08Å; E119-P147 VanDerWaalsContact OE1-CB 3.23Å; E119-P147 WeakPolarHBondContact OE1-CB 3.24Å; E119-P147 WeakPolarHBondContact OE2-CB 3.38Å; T120-P147 HydrophobicContact CG2-CG 4.28Å |
| 148 | E | 32.5 | Very low | 37 | Very low | 158 Ų | 158 | 114.5 Ų | 114.5 | 74% | 0.738 | 62% | 0.619 | S | S | * | * | | | trans | 56.5 | 105.1 | 154.6 | -69.7 | 179.1 | 132.6 | 0 | 0 | 123.2 | E119 | E119-E148 PolarHBondContact OE1-N 3.38Š|
| 149 | E | 30.9 | Very low | 37.7 | Very low | 185 Ų | 185 | 113.5 Ų | 113.5 | 86% | 0.864 | 62% | 0.624 | S | S | * | * | | | | 14.1 | 131.3 | 118.1 | -177.3 | 167.6 | -171.2 | 0 | 0 | 122.5 | | |
| 150 | E | 31.3 | Very low | 37.3 | Very low | 185 Ų | 185 | 116.9 Ų | 116.9 | 86% | 0.864 | 64% | 0.637 | S | S | * | * | | | | -160.6 | 170.8 | 124.2 | -133.9 | -157.6 | 141.9 | 0 | 0 | 113.5 | | |
| 151 | A | 32.8 | Very low | 36.5 | Very low | 77 Ų | 77 | 116.4 Ų | 116.4 | 64% | 0.636 | 65% | 0.645 | S | S | * | * | | | trans | 75.4 | 64.9 | 155.4 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 152 | Q | 31.6 | Very low | 36.8 | Very low | 189 Ų | 189 | 122 Ų | 122 | 88% | 0.883 | 67% | 0.671 | S | S | * | * | | | | 77.4 | 145.8 | 126.7 | -68.3 | -176.8 | -3.4 | 0 | 0 | 124.4 | | |
| 153 | P | 49.4 | Very low | 36.5 | Very low | 114 Ų | 114 | 118.1 Ų | 118.1 | 74% | 0.74 | 67% | 0.67 | S | S | * | * | | | trans | -97.9 | -150.6 | 168.2 | 46 | -39.2 | 0 | 0 | 0 | 109.7 | | |
| 154 | P | 45 | Very low | 36 | Very low | 108 Ų | 108 | 119.9 Ų | 119.9 | 70% | 0.701 | 67% | 0.674 | S | S | * | * | | | cis | -122.8 | 164.8 | -14.1 | 38.3 | -20.5 | 0 | 0 | 0 | 113.6 | | |
| 155 | Q | 31.5 | Very low | 35.4 | Very low | 180 Ų | 180 | 122.7 Ų | 122.7 | 84% | 0.841 | 67% | 0.674 | S | S | * | * | | | | -169.5 | 169.4 | 73.9 | -87.3 | -168.9 | -3.7 | 0 | 0 | 109.8 | | |
| 156 | A | 32.2 | Very low | 35.1 | Very low | 58 Ų | 58 | 127.2 Ų | 127.2 | 48% | 0.479 | 69% | 0.691 | S | S | . | * | | | cis | 155.6 | 142.7 | -23 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 157 | F | 29.7 | Very low | 34.7 | Very low | 155 Ų | 155 | 131.5 Ų | 131.5 | 68% | 0.68 | 70% | 0.703 | S | S | * | * | | | cis | -171.9 | -139.8 | -11.3 | -153.2 | 1.3 | 0 | 0 | 0 | 110.3 | Q103 K104 | Q103-F157 WeakPolarHBondContact CA-O 3.37Å; K104-F157 HydrophobicContact CB-CD1 4.25Å; K104-F157 PolarHBondContact N-O 3.32Å; K104-F157 CarbonylContact O-C 2.93Å; K104-F157 WeakPolarHBondContact O-CB 3Å |
| 158 | P | 48.4 | Very low | 34.1 | Very low | 28 Ų | 28 | 137.9 Ų | 137.9 | 18% | 0.182 | 73% | 0.729 | C | S | . | * | | | trans | -23.6 | -151.7 | 175.8 | -1.5 | -0.2 | 0 | 0 | 0 | 132.7 | Q103 K104 P105 | Q103-P158 CarbonylContact C-O 2.99Å; Q103-P158 WeakPolarHBondContact CA-O 3.47Å; Q103-P158 PolarHBondContact N-O 2.84Å; Q103-P158 VanDerWaalsContact N-O 3.09Å; K104-P158 HydrophobicContact CB-CB 2.3Å; K104-P158 HydrophobicContact CB-CG 2.31Å; K104-P158 HydrophobicContact CD-CB 4.3Å; K104-P158 HydrophobicContact CG-CB 2.78Å; K104-P158 HydrophobicContact CG-CG 3.42Å; K104-P158 VanDerWaalsContact CG-CG 3.42Å; K104-P158 PolarHBondContact N-O 3.45Å; K104-P158 WeakPolarHBondContact O-CD 3.47Å; P105-P158 VanDerWaalsContact N-CD 3.32Å |
| 159 | P | 46 | Very low | 34.7 | Very low | 81 Ų | 81 | 135.7 Ų | 135.7 | 53% | 0.526 | 73% | 0.729 | S | S | . | * | | | cis | -128.1 | 149.4 | -18.3 | 9.5 | 17.2 | 0 | 0 | 0 | 121.8 | Q103 | Q103-P159 VanDerWaalsContact C-CD 3.45Å; Q103-P159 WeakPolarHBondContact O-CD 3.46Å; Q103-P159 WeakPolarHBondContact O-CG 3.35Å |
| 160 | F | 33.7 | Very low | 35.5 | Very low | 181 Ų | 181 | 132.3 Ų | 132.3 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | | | trans | 42.3 | 140.9 | 133.2 | -62.4 | -57.1 | 0 | 0 | 0 | 127.3 | | |
| 161 | G | 28.1 | Very low | 36.2 | Very low | 63 Ų | 63 | 128.6 Ų | 128.6 | 65% | 0.649 | 71% | 0.714 | S | S | * | * | | | trans | 109.9 | 136.6 | 160 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 162 | N | 32.2 | Very low | 36 | Very low | 176 Ų | 176 | 135.9 Ų | 135.9 | 94% | 0.941 | 73% | 0.726 | S | S | * | * | | | cis | -160.4 | 170.6 | -7.2 | -82 | -48.9 | 0 | 0 | 0 | 108 | | |
| 163 | G | 29.4 | Very low | 35.9 | Very low | 65 Ų | 65 | 134.5 Ų | 134.5 | 67% | 0.67 | 72% | 0.719 | S | S | * | * | | | cis | 166 | 163.2 | -6.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 164 | L | 29.7 | Very low | 35.1 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 85% | 0.848 | 72% | 0.717 | S | S | * | * | | | trans | 58.4 | 102.1 | 161.1 | -57.7 | 175.7 | 0 | 0 | 0 | 122.2 | | |
| 165 | F | 30.5 | Very low | 34.9 | Very low | 180 Ų | 180 | 135.3 Ų | 135.3 | 79% | 0.789 | 72% | 0.716 | S | S | * | * | | | trans | 36.7 | 131.8 | 132.4 | -64.5 | -70.7 | 0 | 0 | 0 | 125.9 | | |
| 166 | L | 29.6 | Very low | 34.9 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 75% | 0.754 | 71% | 0.707 | S | S | * | * | | | trans | 49.1 | 125.3 | 131.5 | -64.9 | 163.9 | 0 | 0 | 0 | 122.1 | | |
| 167 | Y | 29.8 | Very low | 35 | Very low | 231 Ų | 231 | 140.4 Ų | 140.4 | 91% | 0.906 | 72% | 0.721 | S | S | * | * | | | | 179.8 | 162.8 | 116.8 | -105.5 | -74.9 | 0 | 0 | 0 | 113.7 | | |
| 168 | Q | 32.3 | Very low | 35 | Very low | 175 Ų | 175 | 140.6 Ų | 140.6 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | | | trans | -139.5 | 173.8 | 165.7 | -76.1 | -172.4 | -14.4 | 0 | 0 | 107.3 | | |
| 169 | P | 45.5 | Very low | 34.6 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | | | cis | -117.8 | -114.2 | -7.3 | 31.9 | -7.6 | 0 | 0 | 0 | 109.2 | | |
| 170 | P | 47.2 | Very low | 35.1 | Very low | 113 Ų | 113 | 146.3 Ų | 146.3 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | cis | -114.9 | -96.3 | -32.5 | 20.4 | 4.3 | 0 | 0 | 0 | 119.6 | | |
| 171 | P | 46.1 | Very low | 35.6 | Very low | 107 Ų | 107 | 143 Ų | 143 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | | | trans | -131.8 | 176.4 | -130.5 | 42.5 | -23.3 | 0 | 0 | 0 | 119.8 | | |
| 172 | W | 29 | Very low | 35.7 | Very low | 230 Ų | 230 | 142.7 Ų | 142.7 | 87% | 0.871 | 76% | 0.759 | S | S | * | * | | | trans | -32.3 | 153.9 | 172.4 | -63.2 | 84.1 | 0 | 0 | 0 | 120.9 | | |
| 173 | Q | 28.9 | Very low | 35.5 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | | 171.6 | 117.5 | 109.8 | -81.9 | -91.2 | 0.7 | 0 | 0 | 113.4 | | |
| 174 | I | 32.4 | Very low | 35.6 | Very low | 134 Ų | 134 | 145.9 Ų | 145.9 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | | | | 45.4 | 150.2 | 127.8 | -62 | -169.7 | 0 | 0 | 0 | 120.5 | | |
| 175 | P | 41.8 | Very low | 35.7 | Very low | 105 Ų | 105 | 150 Ų | 150 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | | | cis | -137.8 | 173.8 | 3.4 | 28.1 | -3.9 | 0 | 0 | 0 | 118.8 | | |
| 176 | Q | 30.5 | Very low | 36.8 | Very low | 143 Ų | 143 | 146.3 Ų | 146.3 | 67% | 0.668 | 76% | 0.76 | S | S | * | * | | | | 135.1 | 136.1 | 127.7 | -75.4 | -142.8 | 28.8 | 0 | 0 | 118.9 | | |
| 177 | R | 33.5 | Very low | 37.4 | Very low | 203 Ų | 203 | 145 Ų | 145 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | | | trans | 62.6 | 112.5 | 160.8 | -63.4 | 169.5 | -166.2 | -148.2 | -2.7 | 117.3 | | |
| 178 | L | 30.4 | Very low | 37.4 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | | | | 80.9 | 139.5 | 58.5 | -69.5 | 167.9 | 0 | 0 | 0 | 113.6 | | |
| 179 | P | 41 | Very low | 37.2 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | | | | -131.8 | -128 | -127.1 | 42.6 | -20.6 | 0 | 0 | 0 | 114.9 | | |
| 180 | P | 55.5 | Low | 36.7 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | | | trans | -98.1 | -168.3 | -150.1 | 49.4 | -37 | 0 | 0 | 0 | 112.3 | | |
| 181 | P | 44.3 | Very low | 36.3 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 71% | 0.714 | 75% | 0.747 | S | S | * | * | | | | -134.4 | -167.3 | 61.4 | 35.9 | -14.4 | 0 | 0 | 0 | 111.7 | Y183 | P181-Y183 HydrophobicContact CB-CD2 4.29Š|
| 182 | G | 30.1 | Very low | 35.8 | Very low | 57 Ų | 57 | 141.7 Ų | 141.7 | 59% | 0.588 | 76% | 0.756 | S | S | * | * | | | cis | 103 | 147 | 5.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 183 | Y | 28 | Very low | 36 | Very low | 235 Ų | 235 | 134.7 Ų | 134.7 | 92% | 0.922 | 76% | 0.756 | S | S | * | * | | | trans | 70.6 | 154.5 | 179.4 | -49.1 | -81.1 | 0 | 0 | 0 | 115.9 | P181 | P181-Y183 HydrophobicContact CB-CD2 4.29Š|
| 184 | G | 31.8 | Very low | 36.1 | Very low | 74 Ų | 74 | 130.9 Ų | 130.9 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | | | cis | -160.4 | -177 | 1.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 185 | R | 31.2 | Very low | 36 | Very low | 248 Ų | 248 | 131.4 Ų | 131.4 | 94% | 0.936 | 76% | 0.763 | S | S | * | * | | | trans | -114 | -171.6 | -176.3 | -126.4 | -155.5 | 178.1 | -148.1 | 1.9 | 111.8 | | |
| 186 | P | 54.9 | Low | 36 | Very low | 102 Ų | 102 | 131.7 Ų | 131.7 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | | | trans | -84.9 | -179.2 | -147.8 | 43.3 | -41.8 | 0 | 0 | 0 | 114.1 | | |
| 187 | P | 41.1 | Very low | 36 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | | | | -153.5 | 176.4 | 98 | 41.1 | -24.1 | 0 | 0 | 0 | 116.9 | | |
| 188 | A | 30.7 | Very low | 35.9 | Very low | 96 Ų | 96 | 135.5 Ų | 135.5 | 79% | 0.793 | 78% | 0.781 | S | S | * | * | | | trans | 65.3 | 149.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 189 | S | 28.1 | Very low | 35.9 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | | | cis | -161.9 | -161.9 | -14.6 | 47.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 190 | N | 33.3 | Very low | 35.3 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 63% | 0.626 | 78% | 0.778 | S | S | * | * | | | cis | -158.7 | 174.1 | 2.8 | 25.2 | -70 | 0 | 0 | 0 | 109.3 | | |
| 191 | E | 38.9 | Very low | 34.2 | Very low | 165 Ų | 165 | 137.9 Ų | 137.9 | 77% | 0.771 | 78% | 0.777 | S | S | * | * | | | trans | 73.4 | 113.7 | 158.3 | -78.6 | 154.6 | -106 | 0 | 0 | 122.4 | | |
| 192 | E | 35.6 | Very low | 33.6 | Very low | 189 Ų | 189 | 133.6 Ų | 133.6 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | | | trans | 0.7 | 139.6 | 139.2 | -107.3 | 69.6 | -171.4 | 0 | 0 | 121.9 | | |
| 193 | G | 33.8 | Very low | 33.7 | Very low | 84 Ų | 84 | 136.2 Ų | 136.2 | 87% | 0.866 | 75% | 0.745 | S | S | * | * | | | trans | 111.6 | 111.7 | 137.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 194 | G | 32 | Very low | 33.9 | Very low | 79 Ų | 79 | 130.7 Ų | 130.7 | 81% | 0.814 | 73% | 0.728 | S | S | * | * | | | trans | 172.2 | 87.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 195 | N | 30.1 | Very low | 33.9 | Very low | 146 Ų | 146 | 130.3 Ų | 130.3 | 78% | 0.781 | 72% | 0.723 | S | S | * | * | | | trans | -38.9 | 134.4 | 178 | -161.9 | 30 | 0 | 0 | 0 | 116.6 | | |
| 196 | P | 40.5 | Very low | 34.1 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 72% | 0.721 | 72% | 0.724 | S | S | * | * | | | trans | -88.7 | 135 | 177.3 | 34 | -33.1 | 0 | 0 | 0 | 113.5 | | |
| 197 | Y | 30.2 | Very low | 33 | Very low | 217 Ų | 217 | 127.7 Ų | 127.7 | 85% | 0.851 | 73% | 0.731 | S | S | * | * | | | trans | -142.6 | 154.9 | 162.5 | -111 | -90.2 | 0 | 0 | 0 | 111.7 | | |
| 198 | F | 33 | Very low | 32.5 | Very low | 209 Ų | 209 | 125.9 Ų | 125.9 | 92% | 0.917 | 73% | 0.734 | S | S | * | * | | | trans | -66.3 | 155.4 | -178.8 | -81.5 | -123.5 | 0 | 0 | 0 | 112.4 | | |
| 199 | G | 30.1 | Very low | 32.7 | Very low | 68 Ų | 68 | 132.8 Ų | 132.8 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | | | trans | -166.3 | -34 | 176.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 200 | Y | 28 | Very low | 33.5 | Very low | 209 Ų | 209 | 133.5 Ų | 133.5 | 82% | 0.82 | 74% | 0.742 | S | S | * | * | | | trans | 45.8 | 100.1 | 172 | -120.1 | -106.7 | 0 | 0 | 0 | 118.3 | | |
| 201 | F | 32.3 | Very low | 34.3 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | | | trans | 65.4 | 160 | 175.5 | -67.6 | -114.4 | 0 | 0 | 0 | 114.1 | F999 | F201-F999 VanDerWaalsContact C-CE1 3.4Å; F201-F999 VanDerWaalsContact C-CZ 3.41Å; F201-F999 HydrophobicContact CB-CD1 4.43Å; F201-F999 HydrophobicContact CB-CE1 3.78Å; F201-F999 HydrophobicContact CB-CZ 4.37Å; F201-F999 WeakPolarHBondContact O-CE1 3.3Å; F201-F999 WeakPolarHBondContact O-CE2 3.12Å; F201-F999 WeakPolarHBondContact O-CZ 3.46Å |
| 202 | G | 32.5 | Very low | 33.7 | Very low | 20 Ų | 20 | 133.1 Ų | 133.1 | 21% | 0.206 | 74% | 0.737 | C | S | . | * | | | cis | 176.9 | 119.9 | -19.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | F999 E1000 | G202-F999 CarbonylContact O-C 3.27Å; G202-F999 WeakPolarHBondContact O-CA 3.44Å; G202-F999 VanDerWaalsContact O-CB 3.28Å; G202-F999 WeakPolarHBondContact O-CB 3.23Å; G202-E1000 PolarHBondContact O-N 2.9Å |
| 203 | Y | 31.1 | Very low | 33.5 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 44% | 0.435 | 73% | 0.731 | S | S | . | * | | | trans | 90 | -155.6 | 167.5 | -54.2 | -63.5 | 0 | 0 | 0 | 119.9 | D1001 N1002 | Y203-D1001 VanDerWaalsContact CB-CA 3.4Å; Y203-D1001 WeakPolarHBondContact CD2-OD1 3.22Å; Y203-D1001 WeakPolarHBondContact CE2-OD1 3.2Å; Y203-N1002 VanDerWaalsContact CD1-N 3.34Å; Y203-N1002 PolarHBondContact OH-OD1 2.86Å; Y203-N1002 VanDerWaalsContact OH-OD1 3.05Å |
| 204 | H | 33.5 | Very low | 33.5 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 56% | 0.556 | 72% | 0.722 | S | S | * | * | | | | -107.1 | 167.3 | -128.5 | -63.5 | -12.2 | 0 | 0 | 0 | 118.3 | E1000 D1001 N1002 | H204-E1000 CarbonylContact C-O 2.9Å; H204-E1000 WeakPolarHBondContact CA-O 2.95Å; H204-E1000 WeakPolarHBondContact CB-O 3.41Å; H204-E1000 PolarHBondContact N-O 2.94Å; H204-D1001 PolarHBondContact CD2-O 3.43Å; H204-D1001 PolarHBondContact NE2-O 2.99Å; H204-D1001 VanDerWaalsContact NE2-O 3.11Å; H204-N1002 VanDerWaalsContact NE2-CA 3.34Å; H204-N1002 WeakPolarHBondContact NE2-CA 3.29Å; H204-N1002 PolarHBondContact NE2-N 2.88Å; H204-N1002 PolarHBondContact NE2-O 3.3Å |
| 205 | G | 31.4 | Very low | 33.9 | Very low | 65 Ų | 65 | 139.2 Ų | 139.2 | 67% | 0.67 | 73% | 0.725 | S | S | * | * | | | | 149 | 92.4 | 122.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 206 | F | 35.1 | Very low | 34.3 | Very low | 216 Ų | 216 | 139.8 Ų | 139.8 | 95% | 0.947 | 72% | 0.723 | S | S | * | * | | | trans | 49.2 | 99 | 156.9 | -72.1 | -88.7 | 0 | 0 | 0 | 118.8 | | |
| 207 | G | 31.8 | Very low | 34 | Very low | 79 Ų | 79 | 141.1 Ų | 141.1 | 81% | 0.814 | 72% | 0.721 | S | S | * | * | | | trans | -72 | 166.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 208 | G | 31.2 | Very low | 34.5 | Very low | 79 Ų | 79 | 139.3 Ų | 139.3 | 81% | 0.814 | 72% | 0.718 | S | S | * | * | | | trans | 148.8 | 61.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 209 | R | 33.4 | Very low | 34.9 | Very low | 242 Ų | 242 | 137.8 Ų | 137.8 | 91% | 0.913 | 71% | 0.714 | S | S | * | * | | | trans | -62.1 | 158.9 | 149 | -70.2 | -175 | 179.4 | -130 | 2.8 | 108.3 | | |
| 210 | P | 45.9 | Very low | 35.2 | Very low | 117 Ų | 117 | 144 Ų | 144 | 76% | 0.76 | 73% | 0.725 | S | S | * | * | | | cis | -149 | -143.1 | 34.2 | 38.4 | -13.1 | 0 | 0 | 0 | 112.5 | | |
| 211 | P | 49.7 | Very low | 35.7 | Very low | 87 Ų | 87 | 140.2 Ų | 140.2 | 57% | 0.565 | 72% | 0.719 | S | S | * | * | | | | -109.2 | -174.3 | -51.6 | 13.2 | 10.4 | 0 | 0 | 0 | 110.6 | | |
| 212 | Y | 27.3 | Very low | 36 | Very low | 187 Ų | 187 | 141 Ų | 141 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | | | | 178.8 | 158 | 68.1 | -104.8 | -58 | 0 | 0 | 0 | 113.2 | | |
| 213 | Y | 30.5 | Very low | 36.3 | Very low | 193 Ų | 193 | 149.5 Ų | 149.5 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | | | trans | 41.7 | 114 | 165.4 | -68.9 | -81.9 | 0 | 0 | 0 | 118.1 | | |
| 214 | S | 34 | Very low | 36.6 | Very low | 96 Ų | 96 | 153.2 Ų | 153.2 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | | | cis | 76.3 | 95.9 | 30.4 | 93.5 | 0 | 0 | 0 | 0 | 116.2 | | |
| 215 | E | 41.3 | Very low | 37.2 | Very low | 190 Ų | 190 | 153.2 Ų | 153.2 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | | | trans | -170.2 | 140.6 | 154.8 | -103.4 | 168.5 | -133.9 | 0 | 0 | 105 | | |
| 216 | E | 37 | Very low | 37.6 | Very low | 158 Ų | 158 | 158.8 Ų | 158.8 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | | | cis | -174 | 171.7 | -29.5 | -148.8 | 180 | -162.9 | 0 | 0 | 104.9 | | |
| 217 | M | 35.6 | Very low | 37.7 | Very low | 139 Ų | 139 | 157.7 Ų | 157.7 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | | | trans | 70.8 | 106.1 | 153 | -75.8 | -169.6 | -76.3 | 0 | 0 | 122.9 | | |
| 218 | F | 39.5 | Very low | 38.4 | Very low | 180 Ų | 180 | 161.9 Ų | 161.9 | 79% | 0.789 | 79% | 0.787 | S | S | * | * | | | | 95.4 | 146.1 | 129.2 | -79.7 | -67 | 0 | 0 | 0 | 124 | | |
| 219 | E | 41 | Very low | 38.6 | Very low | 176 Ų | 176 | 165.7 Ų | 165.7 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | 62.1 | 83.3 | 162.8 | -70.7 | 171.4 | -153.6 | 0 | 0 | 118.9 | | |
| 220 | Q | 37.8 | Very low | 39.2 | Very low | 199 Ų | 199 | 158.9 Ų | 158.9 | 93% | 0.93 | 78% | 0.776 | S | S | * | * | | | trans | -87.2 | 123 | 140.4 | -74.5 | -174.8 | -49.3 | 0 | 0 | 108.5 | | |
| 221 | D | 37.6 | Very low | 39.1 | Very low | 129 Ų | 129 | 159.5 Ų | 159.5 | 69% | 0.69 | 78% | 0.781 | S | S | * | * | | | trans | -148.9 | 133.6 | 170.5 | -139.1 | 16.6 | 0 | 0 | 0 | 111.5 | | |
| 222 | F | 38 | Very low | 38.4 | Very low | 179 Ų | 179 | 165.4 Ų | 165.4 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | 37.1 | 111.3 | 171.9 | -57.8 | -75.7 | 0 | 0 | 0 | 121.4 | | |
| 223 | E | 40.3 | Very low | 39 | Very low | 197 Ų | 197 | 160.8 Ų | 160.8 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | | | trans | -123.9 | 141.2 | 136.3 | -165.6 | 160.8 | -134.8 | 0 | 0 | 109.6 | | |
| 224 | K | 36.3 | Very low | 39 | Very low | 190 Ų | 190 | 161.1 Ų | 161.1 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 158.3 | -172.9 | -105.7 | -169.4 | 173.8 | -177.7 | 0 | 112.2 | | |
| 225 | P | 47 | Very low | 38.9 | Very low | 120 Ų | 120 | 161.8 Ų | 161.8 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 162.2 | -167.5 | 31.9 | -36.9 | 0 | 0 | 0 | 113.7 | | |
| 226 | K | 38.7 | Very low | 38.9 | Very low | 182 Ų | 182 | 158.3 Ų | 158.3 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 152.6 | 171.7 | -68.7 | -178.7 | 174.9 | -176.8 | 0 | 112.7 | | |
| 227 | E | 38.1 | Very low | 38.5 | Very low | 193 Ų | 193 | 154.1 Ų | 154.1 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -100 | 120.3 | 167 | -177.4 | 173 | -166.2 | 0 | 0 | 108.4 | | |
| 228 | E | 45.3 | Very low | 38.3 | Very low | 166 Ų | 166 | 154.7 Ų | 154.7 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | | | trans | -131.6 | 123.5 | 169.6 | -75.8 | -177.7 | -171.7 | 0 | 0 | 108.1 | | |
| 229 | D | 35.3 | Very low | 37.9 | Very low | 160 Ų | 160 | 154.2 Ų | 154.2 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 146.9 | -176.7 | -154.4 | 39.4 | 0 | 0 | 0 | 110.2 | | |
| 230 | P | 46.6 | Very low | 38.2 | Very low | 98 Ų | 98 | 149.9 Ų | 149.9 | 64% | 0.636 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 156.1 | -152.8 | 34 | -36.3 | 0 | 0 | 0 | 115.2 | | |
| 231 | P | 44.7 | Very low | 37.8 | Very low | 131 Ų | 131 | 144.4 Ų | 144.4 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 139.4 | 174.2 | 30 | -35.2 | 0 | 0 | 0 | 111.4 | | |
| 232 | K | 35.6 | Very low | 37.4 | Very low | 210 Ų | 210 | 140 Ų | 140 | 91% | 0.913 | 76% | 0.764 | S | S | * | * | | | trans | -108.8 | 133.3 | 176.4 | -156.9 | 169.3 | -173.7 | 175.6 | 0 | 111.1 | | |
| 233 | A | 38.5 | Very low | 37 | Very low | 91 Ų | 91 | 137.6 Ų | 137.6 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | | | trans | -55.6 | 152.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 234 | E | 30.3 | Very low | 36.7 | Very low | 200 Ų | 200 | 133.5 Ų | 133.5 | 94% | 0.935 | 75% | 0.753 | S | S | * | * | | | trans | -151.9 | 156.7 | 131.4 | -125.8 | 165.7 | -145.2 | 0 | 0 | 113.9 | | |
| 235 | S | 32.8 | Very low | 36.5 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | | | trans | -174.3 | 147.2 | -177.6 | -178.7 | 0 | 0 | 0 | 0 | 105.5 | | |
| 236 | P | 41.2 | Very low | 35.8 | Very low | 117 Ų | 117 | 131 Ų | 131 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | | | cis | -138.7 | 164.6 | 22.9 | 41.6 | -24.3 | 0 | 0 | 0 | 117.4 | | |
| 237 | G | 28.5 | Very low | 35.4 | Very low | 69 Ų | 69 | 128.7 Ų | 128.7 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | | | | 75.7 | 159.2 | 124.4 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 238 | T | 31.2 | Very low | 34.9 | Very low | 151 Ų | 151 | 127.8 Ų | 127.8 | 93% | 0.926 | 75% | 0.748 | S | S | * | * | | | trans | 96 | 131.7 | 170.3 | -31.7 | 0 | 0 | 0 | 0 | 117 | | |
| 239 | E | 32 | Very low | 34.2 | Very low | 170 Ų | 170 | 125.3 Ų | 125.3 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | | | trans | -91.4 | -168.7 | -177.6 | -50 | 169.4 | 117.9 | 0 | 0 | 111.4 | | |
| 240 | P | 46.5 | Very low | 33.9 | Very low | 85 Ų | 85 | 125.4 Ų | 125.4 | 55% | 0.552 | 75% | 0.745 | S | S | * | * | | | | -126.4 | -168.1 | -52 | 31.3 | -13.2 | 0 | 0 | 0 | 111.7 | L906 | P240-L906 HydrophobicContact CB-CD1 3.4Š|
| 241 | T | 28.6 | Very low | 33.1 | Very low | 84 Ų | 84 | 125.5 Ų | 125.5 | 52% | 0.515 | 75% | 0.748 | S | S | . | * | B | Isolated β-bridge | trans | 159.2 | 159.2 | 137.6 | -73.1 | 0 | 0 | 0 | 0 | 116.3 | T903 S904 | T241-T903 WeakPolarHBondContact O-CG2 3.49Å; T241-S904 CarbonylContact O-C 3.42Å; T241-S904 WeakPolarHBondContact O-CA 3.31Å; T241-S904 PolarHBondContact O-N 2.82Å |
| 242 | A | 30.4 | Very low | 32.4 | Very low | 36 Ų | 36 | 125 Ų | 125 | 30% | 0.298 | 74% | 0.743 | S | S | . | * | | | trans | 47.1 | 90.7 | 154 | 0 | 0 | 0 | 0 | 0 | 128.9 | T903 | A242-T903 VanDerWaalsContact C-C 3.49Å; A242-T903 CarbonylContact C-O 3.55Å; A242-T903 HydrophobicContact CB-CG2 4.28Å; A242-T903 CarbonylContact O-C 3.01Å; A242-T903 VanDerWaalsContact O-CA 3.23Å; A242-T903 WeakPolarHBondContact O-CA 3.12Å; A242-T903 WeakPolarHBondContact O-CB 3.46Å; A242-T903 PolarHBondContact O-N 3.31Å |
| 243 | N | 29.7 | Very low | 32 | Very low | 130 Ų | 130 | 123.6 Ų | 123.6 | 70% | 0.695 | 74% | 0.74 | S | S | * | * | | | trans | 67.8 | 105.8 | 144.7 | -42.7 | -40.1 | 0 | 0 | 0 | 123.6 | T903 | N243-T903 CarbonylContact C-O 3.56Å; N243-T903 VanDerWaalsContact O-O 3.05Å |
| 244 | S | 32.5 | Very low | 31.3 | Very low | 111 Ų | 111 | 124.5 Ų | 124.5 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | | | trans | -131.2 | 141.5 | 150.2 | -175.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 245 | T | 33.8 | Very low | 31.4 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | | | trans | -106.9 | 107.1 | -160.6 | 47.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 246 | V | 32.2 | Very low | 31.6 | Very low | 131 Ų | 131 | 122 Ų | 122 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | | | trans | 26.1 | 115.2 | 136.4 | -173.2 | 0 | 0 | 0 | 0 | 119.4 | | |
| 247 | T | 28.6 | Very low | 30.9 | Very low | 133 Ų | 133 | 126.8 Ų | 126.8 | 82% | 0.816 | 74% | 0.74 | S | S | * | * | | | | -172.6 | 144.7 | 126.1 | 13.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 248 | E | 28.9 | Very low | 30.8 | Very low | 173 Ų | 173 | 126.9 Ų | 126.9 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | | | cis | -134.5 | 160.2 | 13.7 | -61.8 | -175 | 107.7 | 0 | 0 | 114.4 | | |
| 249 | T | 31.1 | Very low | 30.7 | Very low | 115 Ų | 115 | 124.8 Ų | 124.8 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | | | trans | 21.6 | 111.7 | 157.6 | 50.7 | 0 | 0 | 0 | 0 | 122.6 | | |
| 250 | N | 28.4 | Very low | 30.5 | Very low | 162 Ų | 162 | 126 Ų | 126 | 87% | 0.866 | 74% | 0.738 | S | S | * | * | | | | -170.9 | 82.5 | 117.5 | -96.8 | -36.3 | 0 | 0 | 0 | 109 | | |
| 251 | S | 28.8 | Very low | 29.8 | Very low | 99 Ų | 99 | 125.5 Ų | 125.5 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | | | | 73.3 | 99.1 | 81 | -163.3 | 0 | 0 | 0 | 0 | 115.1 | | |
| 252 | T | 29.8 | Very low | 29.7 | Very low | 120 Ų | 120 | 124.9 Ų | 124.9 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | | | trans | 60.3 | 100.2 | 142.8 | -33.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 253 | Q | 29.1 | Very low | 29.5 | Very low | 182 Ų | 182 | 130.1 Ų | 130.1 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | | | trans | -66.6 | 127.9 | 158.7 | 171.2 | -173.9 | -15.9 | 0 | 0 | 111.5 | | |
| 254 | S | 23.5 | Very low | 29.4 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | -142.5 | 111.1 | 164.5 | 63.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 255 | N | 30.9 | Very low | 29.4 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | trans | -90.2 | 169.2 | 152.1 | -91.4 | -44.2 | 0 | 0 | 0 | 108.4 | | |
| 256 | P | 37.1 | Very low | 29.4 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | | | cis | -127.8 | 178.6 | -0.5 | 36.8 | -19.5 | 0 | 0 | 0 | 114.4 | G258 | P256-G258 PolarHBondContact O-N 3.43Š|
| 257 | K | 27.1 | Very low | 29.5 | Very low | 217 Ų | 217 | 126.3 Ų | 126.3 | 94% | 0.943 | 76% | 0.758 | S | S | * | * | | | trans | -69.2 | 113.3 | 166.6 | -177.2 | 178.6 | -176.8 | 176.9 | 0 | 110.6 | | |
| 258 | G | 26.8 | Very low | 29.5 | Very low | 70 Ų | 70 | 124.9 Ų | 124.9 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | | | trans | -166.9 | 72.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | P256 | P256-G258 PolarHBondContact O-N 3.43Š|
| 259 | S | 28.4 | Very low | 29.5 | Very low | 107 Ų | 107 | 118 Ų | 118 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | | | trans | -68 | 159.3 | 163.3 | 56.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 260 | Q | 29.2 | Very low | 29.3 | Very low | 195 Ų | 195 | 119.7 Ų | 119.7 | 91% | 0.911 | 73% | 0.73 | S | S | * | * | | | cis | -162 | 160.7 | 18.9 | -148.1 | 164.5 | -2 | 0 | 0 | 110.2 | | |
| 261 | G | 30.1 | Very low | 29.3 | Very low | 76 Ų | 76 | 116.5 Ų | 116.5 | 78% | 0.784 | 72% | 0.721 | S | S | * | * | | | trans | 104.7 | 127.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 262 | G | 27.3 | Very low | 29.4 | Very low | 71 Ų | 71 | 115.4 Ų | 115.4 | 73% | 0.732 | 71% | 0.706 | S | S | * | * | | | cis | 115.9 | 132.3 | 10.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 263 | N | 25.2 | Very low | 29.7 | Very low | 145 Ų | 145 | 114.3 Ų | 114.3 | 78% | 0.775 | 70% | 0.701 | S | S | * | * | | | trans | -70.6 | 165.2 | -169.4 | -60 | -6.8 | 0 | 0 | 0 | 113.4 | | |
| 264 | D | 28 | Very low | 29.6 | Very low | 147 Ų | 147 | 107 Ų | 107 | 79% | 0.786 | 67% | 0.674 | S | S | * | * | | | trans | 69.1 | 151 | 166.9 | -42.7 | -48.5 | 0 | 0 | 0 | 113 | | |
| 265 | T | 34 | Very low | 30.1 | Very low | 120 Ų | 120 | 105.7 Ų | 105.7 | 74% | 0.736 | 66% | 0.663 | S | S | * | * | | | cis | -139.9 | 152.7 | 27.7 | 53.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 266 | S | 32.1 | Very low | 30.3 | Very low | 72 Ų | 72 | 103.5 Ų | 103.5 | 50% | 0.503 | 65% | 0.651 | S | S | . | * | | | cis | 62.3 | 156.2 | 46 | 104.2 | 0 | 0 | 0 | 0 | 113.5 | D487 | S266-D487 VanDerWaalsContact CA-OD1 3.31Å; S266-D487 WeakPolarHBondContact CA-OD1 3.44Å |
| 267 | P | 35.9 | Very low | 29.9 | Very low | 80 Ų | 80 | 103.9 Ų | 103.9 | 52% | 0.519 | 65% | 0.652 | S | S | . | * | | | cis | -135 | -163.2 | -2.6 | 37 | -16.4 | 0 | 0 | 0 | 113.2 | D487 Q488 | P267-D487 VanDerWaalsContact C-CA 3.5Å; P267-D487 WeakPolarHBondContact O-CA 3.1Å; P267-Q488 PolarHBondContact O-N 3.3Å |
| 268 | T | 28.2 | Very low | 29.9 | Very low | 103 Ų | 103 | 95.8 Ų | 95.8 | 63% | 0.632 | 63% | 0.63 | S | S | * | * | | | trans | 131.5 | 95.2 | 134.7 | -51 | 0 | 0 | 0 | 0 | 115.5 | V486 | T268-V486 CarbonylContact C-O 3.47Å; T268-V486 VanDerWaalsContact C-O 3.27Å |
| 269 | G | 27.7 | Very low | 29.8 | Very low | 30 Ų | 30 | 99.2 Ų | 99.2 | 31% | 0.309 | 63% | 0.632 | S | S | . | * | | | trans | -174.5 | 42.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | S271 N484 S485 V486 | G269-S271 PolarHBondContact O-N 3Å; G269-N484 CarbonylContact O-C 3.03Å; G269-S485 CarbonylContact C-O 3.16Å; G269-S485 WeakPolarHBondContact CA-O 3.23Å; G269-S485 PolarHBondContact N-O 2.68Å; G269-S485 PolarHBondContact O-N 3.46Å; G269-S485 VanDerWaalsContact O-O 3.06Å; G269-V486 PolarHBondContact N-O 3.15Å |
| 270 | N | 28 | Very low | 29.8 | Very low | 149 Ų | 149 | 101.1 Ų | 101.1 | 80% | 0.797 | 63% | 0.633 | S | S | * | * | | | trans | -60.4 | 99.3 | 175.9 | -75.2 | -13.9 | 0 | 0 | 0 | 111.5 | N484 | N270-N484 CarbonylContact C-O 3.42Å; N270-N484 VanDerWaalsContact CA-O 3.29Å; N270-N484 WeakPolarHBondContact CA-O 3.5Å |
| 271 | S | 27.1 | Very low | 30.8 | Very low | 96 Ų | 96 | 96.8 Ų | 96.8 | 67% | 0.671 | 62% | 0.623 | S | S | * | * | | | trans | -170.6 | 111 | 167.1 | -86.3 | 0 | 0 | 0 | 0 | 116 | G269 N484 | G269-S271 PolarHBondContact O-N 3Å; S271-N484 PolarHBondContact N-O 3.49Å |
| 272 | I | 30.9 | Very low | 31 | Very low | 76 Ų | 76 | 99.2 Ų | 99.2 | 39% | 0.39 | 62% | 0.624 | S | S | . | * | | | trans | -43.5 | 146.5 | 136.8 | -31.7 | 155.9 | 0 | 0 | 0 | 110.2 | P481 N482 | I272-P481 HydrophobicContact CD1-CB 3.92Å; I272-P481 HydrophobicContact CD1-CG 4.14Å; I272-N482 HydrophobicContact CD1-CB 3.64Å; I272-N482 HydrophobicContact CG1-CB 3.71Å; I272-N482 WeakPolarHBondContact CG2-ND2 3Å |
| 273 | P | 36.8 | Very low | 31 | Very low | 96 Ų | 96 | 99 Ų | 99 | 62% | 0.623 | 62% | 0.615 | S | S | * | * | | | cis | -116 | -168 | 9.4 | 27.8 | -3.3 | 0 | 0 | 0 | 111.8 | | |
| 274 | G | 28.2 | Very low | 31.4 | Very low | 28 Ų | 28 | 101.3 Ų | 101.3 | 29% | 0.289 | 62% | 0.622 | S | S | . | * | | | cis | 73.9 | 147.9 | 36 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 275 | P | 33.8 | Very low | 31.5 | Very low | 84 Ų | 84 | 101.4 Ų | 101.4 | 55% | 0.545 | 62% | 0.622 | S | S | . | * | | | cis | -124.8 | 178.3 | 2.2 | 42.4 | -28.2 | 0 | 0 | 0 | 115.1 | P503 | P275-P503 WeakPolarHBondContact O-CB 3.47Å; P275-P503 VanDerWaalsContact O-CG 3.22Å; P275-P503 WeakPolarHBondContact O-CG 3.27Å |
| 276 | N | 35.4 | Very low | 31.2 | Very low | 95 Ų | 95 | 99 Ų | 99 | 51% | 0.508 | 62% | 0.621 | S | S | . | * | | | trans | -70.6 | 138.4 | 176.7 | -65.4 | 13.6 | 0 | 0 | 0 | 113.5 | N504 | N276-N504 PolarHBondContact OD1-ND2 2.76Š|
| 277 | T | 28.5 | Very low | 31.1 | Very low | 124 Ų | 124 | 103.1 Ų | 103.1 | 76% | 0.761 | 64% | 0.636 | S | S | * | * | | | trans | -178.7 | 132 | 147.7 | -74.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 278 | G | 27 | Very low | 30.9 | Very low | 47 Ų | 47 | 104.5 Ų | 104.5 | 49% | 0.485 | 64% | 0.642 | S | S | . | * | | | trans | 120.7 | 85.2 | 137.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 279 | N | 24.4 | Very low | 31.8 | Very low | 142 Ų | 142 | 105.2 Ų | 105.2 | 76% | 0.759 | 65% | 0.649 | S | S | * | * | | | | 43.9 | 112.9 | 126.6 | -55.2 | -25.8 | 0 | 0 | 0 | 122.4 | | |
| 280 | N | 27.4 | Very low | 31.8 | Very low | 147 Ų | 147 | 110.8 Ų | 110.8 | 79% | 0.786 | 67% | 0.671 | S | S | * | * | | | | 51 | 163.7 | 109.4 | -63.3 | -17.2 | 0 | 0 | 0 | 122.6 | | |
| 281 | P | 51.3 | Low | 32.4 | Very low | 105 Ų | 105 | 109.1 Ų | 109.1 | 68% | 0.682 | 67% | 0.668 | S | S | * | * | | | cis | -130.1 | -165.4 | -36.9 | 43.3 | -25.7 | 0 | 0 | 0 | 110.7 | A283 | P281-A283 HydrophobicContact CB-CB 4.23Å; P281-A283 HydrophobicContact CG-CB 4.34Å |
| 282 | P | 32.9 | Very low | 32.4 | Very low | 127 Ų | 127 | 108.8 Ų | 108.8 | 83% | 0.825 | 67% | 0.671 | S | S | * | * | | | | -139.7 | 150.1 | 67.5 | 36.5 | -18.3 | 0 | 0 | 0 | 114.5 | | |
| 283 | A | 28.5 | Very low | 32.7 | Very low | 65 Ų | 65 | 111.1 Ų | 111.1 | 54% | 0.537 | 69% | 0.689 | S | S | . | * | | | cis | 92.6 | 70.1 | 23.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | P281 | P281-A283 HydrophobicContact CB-CB 4.23Å; P281-A283 HydrophobicContact CG-CB 4.34Å |
| 284 | Q | 33.3 | Very low | 32.4 | Very low | 195 Ų | 195 | 113.2 Ų | 113.2 | 91% | 0.911 | 70% | 0.695 | S | S | * | * | | | trans | -139.8 | 114.6 | 149.2 | -66.5 | -171.1 | -7.4 | 0 | 0 | 106.7 | | |
| 285 | N | 29.2 | Very low | 32.3 | Very low | 149 Ų | 149 | 117.7 Ų | 117.7 | 80% | 0.797 | 72% | 0.716 | S | S | * | * | | | cis | 69.5 | 128.7 | 31 | -56.7 | -31.8 | 0 | 0 | 0 | 113.9 | | |
| 286 | G | 28.9 | Very low | 31.8 | Very low | 69 Ų | 69 | 119.6 Ų | 119.6 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | | | cis | -155.5 | -136.7 | -2.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 287 | I | 28.9 | Very low | 31.4 | Very low | 158 Ų | 158 | 117.8 Ų | 117.8 | 81% | 0.81 | 74% | 0.735 | S | S | * | * | | | cis | -159.9 | 125.6 | 10.6 | -75 | 169.2 | 0 | 0 | 0 | 104.2 | | |
| 288 | V | 32.1 | Very low | 31.4 | Very low | 109 Ų | 109 | 121.2 Ų | 121.2 | 66% | 0.661 | 74% | 0.743 | S | S | * | * | | | | 72.4 | 111.3 | 57.9 | 179.2 | 0 | 0 | 0 | 0 | 114.6 | L290 | V288-L290 HydrophobicContact CG1-CD1 4.13Å; V288-L290 HydrophobicContact CG1-CG 3.95Å |
| 289 | P | 47.2 | Very low | 31.3 | Very low | 119 Ų | 119 | 122.3 Ų | 122.3 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | | | | -126 | 146.7 | 104.3 | 3.4 | 18.4 | 0 | 0 | 0 | 112 | | |
| 290 | L | 28.9 | Very low | 31.5 | Very low | 147 Ų | 147 | 119 Ų | 119 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | | | cis | 79.2 | 144 | 48.2 | -72.8 | 165.6 | 0 | 0 | 0 | 114.3 | V288 | V288-L290 HydrophobicContact CG1-CD1 4.13Å; V288-L290 HydrophobicContact CG1-CG 3.95Å |
| 291 | P | 40.5 | Very low | 31.8 | Very low | 114 Ų | 114 | 118.4 Ų | 118.4 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | | | cis | -140.2 | 177.3 | 1.7 | 42.4 | -24.6 | 0 | 0 | 0 | 118.3 | | |
| 292 | A | 26.7 | Very low | 30.5 | Very low | 88 Ų | 88 | 116.7 Ų | 116.7 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | trans | 93.6 | 146.1 | 139.9 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 293 | V | 37.7 | Very low | 30.3 | Very low | 126 Ų | 126 | 116 Ų | 116 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | | | trans | 66.7 | 91.7 | 167 | -162.8 | 0 | 0 | 0 | 0 | 116.4 | | |
| 294 | N | 30.1 | Very low | 30.3 | Very low | 140 Ų | 140 | 122 Ų | 122 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | | | | 71 | 132.2 | 58 | -60.9 | -7.3 | 0 | 0 | 0 | 114.3 | | |
| 295 | T | 25.6 | Very low | 30 | Very low | 121 Ų | 121 | 120.3 Ų | 120.3 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | | | cis | -164.3 | 161.1 | 0.9 | 8.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 296 | S | 24.2 | Very low | 30.3 | Very low | 124 Ų | 124 | 117.9 Ų | 117.9 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | | | trans | 68.6 | 148.3 | 163.8 | 74.3 | 0 | 0 | 0 | 0 | 118 | | |
| 297 | G | 25.8 | Very low | 30.1 | Very low | 57 Ų | 57 | 123.9 Ų | 123.9 | 59% | 0.588 | 76% | 0.763 | S | S | * | * | | | cis | 165.1 | 161.3 | -6.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 298 | Q | 28.4 | Very low | 30 | Very low | 197 Ų | 197 | 126.2 Ų | 126.2 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | | | trans | 64.8 | 151.5 | 179.8 | -61.6 | 146.8 | -83.5 | 0 | 0 | 113.1 | | |
| 299 | G | 25.3 | Very low | 30.3 | Very low | 69 Ų | 69 | 122.6 Ų | 122.6 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | | | cis | 99.7 | 134.8 | 18.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 300 | G | 28.8 | Very low | 29.2 | Very low | 73 Ų | 73 | 119.9 Ų | 119.9 | 75% | 0.753 | 73% | 0.725 | S | S | * | * | | | trans | -59 | 163.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 301 | P | 33.2 | Very low | 29.7 | Very low | 134 Ų | 134 | 121.1 Ų | 121.1 | 87% | 0.87 | 73% | 0.727 | S | S | * | * | | | | -149.7 | -171.6 | 70.5 | 42.2 | -25.7 | 0 | 0 | 0 | 114.6 | | |
| 302 | G | 25.2 | Very low | 29.7 | Very low | 70 Ų | 70 | 119 Ų | 119 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | | | trans | 119.7 | 98.6 | 138.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 303 | S | 27.5 | Very low | 29.7 | Very low | 112 Ų | 112 | 119.7 Ų | 119.7 | 78% | 0.783 | 70% | 0.704 | S | S | * | * | | | trans | -68.3 | 135.1 | 154 | 47.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 304 | Q | 28.8 | Very low | 29.1 | Very low | 191 Ų | 191 | 120 Ų | 120 | 89% | 0.893 | 70% | 0.7 | S | S | * | * | | | trans | -161.3 | 101.8 | 155 | -116.1 | 149.7 | 90.5 | 0 | 0 | 113.6 | | |
| 305 | I | 26.7 | Very low | 29 | Very low | 160 Ų | 160 | 124.1 Ų | 124.1 | 82% | 0.821 | 71% | 0.705 | S | S | * | * | | | trans | -57.3 | 139.7 | 152.2 | -61.9 | 159.9 | 0 | 0 | 0 | 106.6 | | |
| 306 | P | 35.9 | Very low | 29 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 63% | 0.63 | 70% | 0.703 | S | S | * | * | | | | -150 | -165 | 62.7 | 24.4 | 4.3 | 0 | 0 | 0 | 117.7 | | |
| 307 | W | 25.6 | Very low | 29.1 | Very low | 195 Ų | 195 | 127 Ų | 127 | 74% | 0.739 | 70% | 0.702 | S | S | * | * | | | trans | 91 | 73.7 | 165 | -55 | 102.4 | 0 | 0 | 0 | 119.8 | K138 | K138-W307 WeakPolarHBondContact CD-O 3.36Š|
| 308 | R | 25.3 | Very low | 29.1 | Very low | 207 Ų | 207 | 131.3 Ų | 131.3 | 78% | 0.781 | 71% | 0.707 | S | S | * | * | | | trans | -61 | -173.7 | 135.9 | -135.9 | -160.3 | -150.9 | -151.4 | 10.4 | 109.6 | | |
| 309 | P | 38.8 | Very low | 29.2 | Very low | 34 Ų | 34 | 127.6 Ų | 127.6 | 22% | 0.221 | 70% | 0.699 | C | S | . | * | | | cis | -121.3 | 170 | -35 | 9.4 | 13.1 | 0 | 0 | 0 | 114 | K138 Q139 | K138-P309 CarbonylContact C-O 3.51Å; K138-P309 WeakPolarHBondContact CA-O 3.43Å; K138-P309 VanDerWaalsContact CB-C 3.47Å; K138-P309 WeakPolarHBondContact CB-O 3.27Å; K138-P309 VanDerWaalsContact CG-C 3.46Å; K138-P309 WeakPolarHBondContact CG-O 3.26Å; Q139-P309 WeakPolarHBondContact CA-O 3.34Å; Q139-P309 WeakPolarHBondContact CB-O 3.45Å; Q139-P309 VanDerWaalsContact CD-CG 3.44Å; Q139-P309 HydrophobicContact CG-CB 4.18Å; Q139-P309 HydrophobicContact CG-CG 3.78Å; Q139-P309 WeakPolarHBondContact CG-O 3.03Å; Q139-P309 PolarHBondContact N-O 3.05Å |
| 310 | S | 23.7 | Very low | 29.3 | Very low | 62 Ų | 62 | 130.3 Ų | 130.3 | 43% | 0.434 | 70% | 0.698 | S | S | . | * | | | trans | 165.6 | 148.2 | 136.3 | 53.7 | 0 | 0 | 0 | 0 | 118.4 | Q139 | Q139-S310 WeakPolarHBondContact CA-OG 3.45Å; Q139-S310 WeakPolarHBondContact O-CB 3.11Å; Q139-S310 PolarHBondContact O-OG 2.83Å |
| 311 | Q | 39.7 | Very low | 29.7 | Very low | 172 Ų | 172 | 132.1 Ų | 132.1 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | | | trans | -114.5 | 165.8 | 135 | -76.6 | -175.7 | -9.2 | 0 | 0 | 106.5 | | |
| 312 | P | 41.4 | Very low | 29.3 | Very low | 71 Ų | 71 | 131.1 Ų | 131.1 | 46% | 0.461 | 68% | 0.683 | S | S | . | * | | | cis | -142.3 | -146.9 | 44.9 | 33.6 | -4.9 | 0 | 0 | 0 | 111.6 | S141 | S141-P312 WeakPolarHBondContact O-CG 3.47Š|
| 313 | N | 25.2 | Very low | 29.4 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 54% | 0.54 | 68% | 0.68 | S | S | . | * | | | cis | -169.1 | 158 | 23.3 | -139.8 | -9.8 | 0 | 0 | 0 | 112.4 | S141 | S141-N313 PolarHBondContact O-ND2 3.45Š|
| 314 | I | 26.6 | Very low | 29.3 | Very low | 133 Ų | 133 | 139.2 Ų | 139.2 | 68% | 0.682 | 68% | 0.683 | S | S | * | * | | | trans | 58 | 120 | 143.8 | -77.1 | 164.9 | 0 | 0 | 0 | 117.5 | | |
| 315 | R | 27 | Very low | 29.2 | Very low | 226 Ų | 226 | 137.3 Ų | 137.3 | 85% | 0.853 | 68% | 0.679 | S | S | * | * | | | cis | -144.1 | 146.4 | 44 | -76.4 | -173.5 | 172.9 | -158.7 | -7.8 | 115.2 | | |
| 316 | E | 25.6 | Very low | 29.4 | Very low | 149 Ų | 149 | 139.7 Ų | 139.7 | 70% | 0.696 | 68% | 0.684 | S | S | * | * | | | trans | -83.7 | 158.5 | 153.5 | -63.6 | 161 | 106.3 | 0 | 0 | 111.1 | H318 | E316-H318 IonicContact OE1-CE1 3.9Š|
| 317 | N | 27 | Very low | 29.2 | Very low | 157 Ų | 157 | 139.3 Ų | 139.3 | 84% | 0.84 | 68% | 0.682 | S | S | * | * | | | trans | -164.6 | 84.1 | 145.1 | -105.4 | -11.6 | 0 | 0 | 0 | 110.1 | | |
| 318 | H | 25.4 | Very low | 29.2 | Very low | 148 Ų | 148 | 136 Ų | 136 | 69% | 0.685 | 69% | 0.688 | S | S | * | * | | | | 18.8 | 144.6 | 121.7 | -75.5 | 5.6 | 0 | 0 | 0 | 119.3 | E316 | E316-H318 IonicContact OE1-CE1 3.9Š|
| 319 | P | 30.4 | Very low | 29.4 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 77% | 0.773 | 68% | 0.681 | S | S | * | * | | | | -136.1 | 151.5 | 56.3 | 39.8 | -25.1 | 0 | 0 | 0 | 118.3 | | |
| 320 | N | 28.3 | Very low | 28.8 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 67% | 0.674 | 71% | 0.71 | S | S | * | * | | | trans | -73.1 | 129.6 | 150.5 | -169 | 13 | 0 | 0 | 0 | 107.9 | N322 | N320-N322 PolarHBondContact OD1-N 2.91Š|
| 321 | P | 37.5 | Very low | 28.8 | Very low | 110 Ų | 110 | 144 Ų | 144 | 71% | 0.714 | 72% | 0.724 | S | S | * | * | | | | -123 | 138.6 | 106.1 | 36.3 | -33.3 | 0 | 0 | 0 | 111.2 | | |
| 322 | N | 24.4 | Very low | 28.1 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 61% | 0.61 | 71% | 0.714 | S | S | * | * | | | cis | 74.8 | 141.2 | 35.9 | -161.3 | 17.2 | 0 | 0 | 0 | 112.3 | N320 | N320-N322 PolarHBondContact OD1-N 2.91Š|
| 323 | I | 25.9 | Very low | 27.4 | Very low | 125 Ų | 125 | 147.6 Ų | 147.6 | 64% | 0.641 | 72% | 0.722 | S | S | * | * | | | trans | 65.3 | 99.3 | 172.7 | -70.3 | 153.9 | 0 | 0 | 0 | 113.6 | | |
| 324 | R | 25.2 | Very low | 27.8 | Very low | 226 Ų | 226 | 148.7 Ų | 148.7 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | | | | 66.8 | 92.8 | 76.1 | -178.8 | -153.4 | -152.3 | -168.4 | 10.1 | 111.6 | | |
| 325 | N | 27.4 | Very low | 28 | Very low | 151 Ų | 151 | 148.2 Ų | 148.2 | 81% | 0.807 | 74% | 0.738 | S | S | * | * | | | trans | -164.4 | 106 | 154.2 | -93.4 | -30.8 | 0 | 0 | 0 | 110.1 | P327 | N325-P327 WeakPolarHBondContact O-CD 3.28Š|
| 326 | F | 31.4 | Very low | 28.1 | Very low | 210 Ų | 210 | 140.4 Ų | 140.4 | 92% | 0.921 | 73% | 0.728 | S | S | * | * | | | trans | -70.7 | 131.3 | 149.9 | -88.1 | -83.5 | 0 | 0 | 0 | 107.6 | | |
| 327 | P | 32.3 | Very low | 28.3 | Very low | 90 Ų | 90 | 140 Ų | 140 | 58% | 0.584 | 74% | 0.736 | S | S | * | * | | | | -122.1 | 137.3 | 122.2 | 34.3 | -30.3 | 0 | 0 | 0 | 109.5 | N325 G329 | N325-P327 WeakPolarHBondContact O-CD 3.28Å; P327-G329 PolarHBondContact O-N 3.45Å |
| 328 | S | 25.7 | Very low | 28.4 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 87% | 0.874 | 73% | 0.73 | S | S | * | * | | | | 45 | 16.9 | 63.8 | 76.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 329 | G | 29.5 | Very low | 28.5 | Very low | 62 Ų | 62 | 139 Ų | 139 | 64% | 0.639 | 74% | 0.743 | S | S | * | * | | | trans | -101.1 | 115.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P327 | P327-G329 PolarHBondContact O-N 3.45Š|
| 330 | R | 25.1 | Very low | 28.4 | Very low | 216 Ų | 216 | 136.9 Ų | 136.9 | 82% | 0.815 | 74% | 0.743 | S | S | * | * | | | trans | -74.7 | 165 | -176.3 | -50.6 | 174.4 | -177.8 | -139.9 | 0 | 113.6 | | |
| 331 | R | 23.7 | Very low | 28.5 | Very low | 194 Ų | 194 | 138.9 Ų | 138.9 | 73% | 0.732 | 75% | 0.749 | S | S | * | * | | | trans | 85.6 | 106 | 143 | -85.1 | 177.7 | 177.2 | -178.3 | -1.3 | 120.3 | | |
| 332 | W | 24.3 | Very low | 28 | Very low | 157 Ų | 157 | 141 Ų | 141 | 60% | 0.595 | 74% | 0.742 | S | S | * | * | | | | 62.1 | 103.1 | 110.8 | -80.1 | 56.7 | 0 | 0 | 0 | 119.7 | | |
| 333 | Y | 28.1 | Very low | 28.3 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 63% | 0.631 | 75% | 0.745 | S | S | * | * | | | trans | 47.2 | 119.5 | 140.9 | -57.9 | -88.6 | 0 | 0 | 0 | 121.2 | T335 | Y333-T335 PolarHBondContact O-OG1 2.67Š|
| 334 | P | 33.7 | Very low | 28.4 | Very low | 123 Ų | 123 | 143 Ų | 143 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | | | | -63 | 121 | 119.2 | 30.8 | -30.2 | 0 | 0 | 0 | 108 | | |
| 335 | T | 29.2 | Very low | 28.6 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | | | cis | 64.5 | 120.4 | 26.4 | -47.4 | 0 | 0 | 0 | 0 | 111.9 | Y333 | Y333-T335 PolarHBondContact O-OG1 2.67Š|
| 336 | G | 30.8 | Very low | 29.2 | Very low | 63 Ų | 63 | 134.3 Ų | 134.3 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | | | cis | -149.4 | -164.3 | -0.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 337 | T | 30.1 | Very low | 29 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 86% | 0.859 | 74% | 0.737 | S | S | * | * | S | Bend | cis | -154.1 | 160.1 | 16.5 | 42.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 338 | A | 27.7 | Very low | 28.9 | Very low | 87 Ų | 87 | 138.8 Ų | 138.8 | 72% | 0.719 | 75% | 0.75 | S | S | * | * | | | cis | -174 | 154.2 | -23.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 339 | M | 28 | Very low | 28.9 | Very low | 196 Ų | 196 | 143 Ų | 143 | 97% | 0.966 | 75% | 0.746 | S | S | * | * | | | cis | -125.7 | -98.8 | -1.3 | -66.6 | -177.2 | -86.3 | 0 | 0 | 110.7 | | |
| 340 | G | 28.6 | Very low | 28.8 | Very low | 75 Ų | 75 | 147 Ų | 147 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | | | trans | 116.8 | -14.2 | 151.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 341 | H | 29.8 | Very low | 28.9 | Very low | 169 Ų | 169 | 147.1 Ų | 147.1 | 78% | 0.782 | 75% | 0.753 | S | S | * | * | | | trans | 59.8 | 51.1 | 163.9 | -137.4 | -61.3 | 0 | 0 | 0 | 121 | | |
| 342 | R | 27.6 | Very low | 29.1 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 59% | 0.585 | 75% | 0.748 | S | S | * | * | | | | 29.7 | 117.8 | 121.7 | -177.9 | -165.6 | 171.7 | -174.1 | -2.8 | 118.6 | | |
| 343 | Q | 30.1 | Very low | 29.3 | Very low | 143 Ų | 143 | 143.9 Ų | 143.9 | 67% | 0.668 | 76% | 0.763 | S | S | * | * | | | | -175.3 | 138.5 | 117.2 | -101 | -174.7 | 62.5 | 0 | 0 | 114.9 | | |
| 344 | N | 27.8 | Very low | 29.4 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | 50.4 | 122.8 | 149.6 | -44.4 | -13.6 | 0 | 0 | 0 | 122.1 | | |
| 345 | G | 30.6 | Very low | 29.1 | Very low | 72 Ų | 72 | 147.7 Ų | 147.7 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | | | trans | -110.5 | -162.1 | 137.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 346 | P | 39.2 | Very low | 29 | Very low | 124 Ų | 124 | 145 Ų | 145 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | | | cis | -122.8 | -170.1 | -8.1 | 41.4 | -26.6 | 0 | 0 | 0 | 113.6 | | |
| 347 | F | 28.2 | Very low | 29.2 | Very low | 178 Ų | 178 | 148 Ų | 148 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | | | trans | -24.6 | 159.6 | 177 | -77.8 | -93.2 | 0 | 0 | 0 | 123.4 | | |
| 348 | Y | 29 | Very low | 29.1 | Very low | 215 Ų | 215 | 150 Ų | 150 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | trans | 68.8 | 77.8 | 165.7 | -69.6 | -66.5 | 0 | 0 | 0 | 119 | N350 | Y348-N350 PolarHBondContact O-N 2.94Š|
| 349 | R | 26.2 | Very low | 29 | Very low | 213 Ų | 213 | 157.3 Ų | 157.3 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -66.4 | 119.4 | 164 | -175.8 | -171.9 | -165.1 | -174.3 | 7.5 | 111.8 | | |
| 350 | N | 27.3 | Very low | 28.9 | Very low | 146 Ų | 146 | 154.2 Ų | 154.2 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | | | trans | -84 | 140.4 | 165.5 | -157 | -22.9 | 0 | 0 | 0 | 110.2 | Y348 | Y348-N350 PolarHBondContact O-N 2.94Š|
| 351 | R | 26.9 | Very low | 28.7 | Very low | 219 Ų | 219 | 154 Ų | 154 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | | | trans | 42.2 | 118.9 | 179.8 | -66.9 | -173.4 | 177.8 | -136.5 | -0.9 | 118.3 | | |
| 352 | Q | 27.4 | Very low | 28.6 | Very low | 132 Ų | 132 | 153.7 Ų | 153.7 | 62% | 0.617 | 75% | 0.751 | S | S | * | * | | | | 170.6 | 130.3 | 109.6 | -93.6 | -178.9 | 21.8 | 0 | 0 | 111.4 | | |
| 353 | V | 29.3 | Very low | 28.7 | Very low | 151 Ų | 151 | 151.4 Ų | 151.4 | 92% | 0.915 | 77% | 0.766 | S | S | * | * | | | trans | -126.8 | 98.8 | 143.7 | 179.7 | 0 | 0 | 0 | 0 | 106.8 | | |
| 354 | Q | 30 | Very low | 28.5 | Very low | 134 Ų | 134 | 151.4 Ų | 151.4 | 63% | 0.626 | 76% | 0.759 | S | S | * | * | | | trans | -93.9 | 133.7 | 155.1 | -66.6 | -175.7 | -6.7 | 0 | 0 | 107.4 | | |
| 355 | R | 26.7 | Very low | 28.4 | Very low | 230 Ų | 230 | 154.7 Ų | 154.7 | 87% | 0.868 | 77% | 0.771 | S | S | * | * | | | | 177.9 | 151.1 | 101.7 | -92.5 | 169.3 | -175.2 | -171.3 | -0.6 | 109.5 | | |
| 356 | G | 27.9 | Very low | 28.2 | Very low | 68 Ų | 68 | 153.3 Ų | 153.3 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | | | trans | -84.5 | -152.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 357 | P | 35.2 | Very low | 27.6 | Very low | 126 Ų | 126 | 153.9 Ų | 153.9 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | | | cis | -144.6 | 97.6 | 14.8 | 37.1 | -14.3 | 0 | 0 | 0 | 114.7 | | |
| 358 | Q | 28.2 | Very low | 27.6 | Very low | 182 Ų | 182 | 153.6 Ų | 153.6 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | | | trans | -147.8 | 69.9 | 174.5 | -151.7 | 155 | -6 | 0 | 0 | 115.2 | | |
| 359 | W | 25.1 | Very low | 27.4 | Very low | 239 Ų | 239 | 149.7 Ų | 149.7 | 91% | 0.905 | 75% | 0.745 | S | S | * | * | | | trans | -117.4 | 87.2 | 148.9 | -90.5 | 67.7 | 0 | 0 | 0 | 109.2 | | |
| 360 | N | 25.4 | Very low | 27.4 | Very low | 131 Ų | 131 | 145.4 Ų | 145.4 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | | | trans | -132 | 124.9 | 130 | -91.7 | -66.4 | 0 | 0 | 0 | 106.7 | | |
| 361 | S | 24.4 | Very low | 27.5 | Very low | 70 Ų | 70 | 149 Ų | 149 | 49% | 0.49 | 75% | 0.745 | S | S | . | * | | | trans | -52.9 | 177.5 | -174.1 | -43.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 362 | F | 28.3 | Very low | 27.6 | Very low | 163 Ų | 163 | 144.3 Ų | 144.3 | 72% | 0.715 | 74% | 0.743 | S | S | * | * | | | trans | 103.8 | 76.8 | 146.8 | -56.9 | -41.8 | 0 | 0 | 0 | 120.3 | W364 | F362-W364 HydrophobicContact CB-CG 4.02Å; F362-W364 AromaticContact CD1-CD1 3.3Å; F362-W364 AromaticContact CD1-NE1 3.09Å; F362-W364 AromaticContact CD2-NE1 3.79Å; F362-W364 AromaticContact CE1-NE1 3.71Å; F362-W364 AromaticContact CG-CD1 3.43Å; F362-W364 VanDerWaalsContact CG-CD1 3.43Å; F362-W364 AromaticContact CG-NE1 3.13Å |
| 363 | A | 29.1 | Very low | 27.6 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 89% | 0.893 | 75% | 0.747 | S | S | * | * | | | | -106.8 | 114.2 | 122.4 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 364 | W | 27.4 | Very low | 27.9 | Very low | 142 Ų | 142 | 141 Ų | 141 | 54% | 0.538 | 74% | 0.74 | S | S | . | * | | | cis | 76.8 | 81.6 | 24 | -76.8 | 48.1 | 0 | 0 | 0 | 116.1 | F362 G366 K367 | F362-W364 HydrophobicContact CB-CG 4.02Å; F362-W364 AromaticContact CD1-CD1 3.3Å; F362-W364 AromaticContact CD1-NE1 3.09Å; F362-W364 AromaticContact CD2-NE1 3.79Å; F362-W364 AromaticContact CE1-NE1 3.71Å; F362-W364 AromaticContact CG-CD1 3.43Å; F362-W364 VanDerWaalsContact CG-CD1 3.43Å; F362-W364 AromaticContact CG-NE1 3.13Å; W364-G366 WeakPolarHBondContact CZ3-O 3.12Å; W364-K367 VanDerWaalsContact CE3-C 3.49Å; W364-K367 HydrophobicContact CZ3-CB 4.22Å; W364-K367 WeakPolarHBondContact CZ3-O 3.19Å |
| 365 | E | 25.3 | Very low | 28 | Very low | 206 Ų | 206 | 139.7 Ų | 139.7 | 96% | 0.963 | 74% | 0.744 | S | S | * | * | S | Bend | | -86.7 | 123.5 | 112.8 | -172.6 | 158.1 | -128.7 | 0 | 0 | 108 | | |
| 366 | G | 26.4 | Very low | 27.8 | Very low | 43 Ų | 43 | 133 Ų | 133 | 44% | 0.443 | 73% | 0.728 | S | S | . | * | S | Bend | cis | -160 | 165 | -4 | 0 | 0 | 0 | 0 | 0 | 113.9 | W364 | W364-G366 WeakPolarHBondContact CZ3-O 3.12Š|
| 367 | K | 26.5 | Very low | 27.7 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 59% | 0.587 | 73% | 0.728 | S | S | * | * | | | trans | 87 | 59.4 | -173.9 | -60 | -166 | 179.9 | -178.7 | 0 | 119.5 | W364 G813 | W364-K367 VanDerWaalsContact CE3-C 3.49Å; W364-K367 HydrophobicContact CZ3-CB 4.22Å; W364-K367 WeakPolarHBondContact CZ3-O 3.19Å; K367-G813 WeakPolarHBondContact CE-O 2.97Å; K367-G813 PolarHBondContact NZ-O 3Å |
| 368 | Q | 27.8 | Very low | 27.4 | Very low | 172 Ų | 172 | 140.1 Ų | 140.1 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | | | trans | 50.1 | 121.2 | 132.5 | -65.7 | 178.8 | -44 | 0 | 0 | 121.4 | | |
| 369 | V | 25.3 | Very low | 27.2 | Very low | 133 Ų | 133 | 139.4 Ų | 139.4 | 81% | 0.806 | 72% | 0.72 | S | S | * | * | | | | 45 | 114.1 | 124.8 | -165.9 | 0 | 0 | 0 | 0 | 118.6 | | |
| 370 | V | 25.4 | Very low | 27.3 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 75% | 0.745 | 72% | 0.716 | S | S | * | * | | | | -174.7 | 122.5 | 113.6 | 150.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 371 | R | 29.9 | Very low | 27.2 | Very low | 221 Ų | 221 | 138.3 Ų | 138.3 | 83% | 0.834 | 72% | 0.722 | S | S | * | * | | | trans | -107.4 | 133.9 | 142.3 | -83.6 | -173.9 | 172.5 | -168.5 | -1.1 | 105.5 | | |
| 372 | P | 29.8 | Very low | 27.1 | Very low | 122 Ų | 122 | 142.2 Ų | 142.2 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | | | | -137.9 | -162.9 | 95.9 | 42.4 | -33 | 0 | 0 | 0 | 111.5 | | |
| 373 | G | 26.3 | Very low | 26.8 | Very low | 67 Ų | 67 | 138.4 Ų | 138.4 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | | | trans | 115.3 | 51.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 374 | N | 35.9 | Very low | 26.6 | Very low | 145 Ų | 145 | 139.1 Ų | 139.1 | 78% | 0.775 | 72% | 0.723 | S | S | * | * | | | trans | -98.3 | 107.7 | 146 | -179.5 | 9.4 | 0 | 0 | 0 | 108.5 | V376 | N374-V376 PolarHBondContact OD1-N 3.46Š|
| 375 | P | 31.9 | Very low | 26.4 | Very low | 107 Ų | 107 | 137.3 Ų | 137.3 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | | | trans | -119.9 | 124.7 | 142 | 33.5 | -24.4 | 0 | 0 | 0 | 109.7 | | |
| 376 | V | 23.3 | Very low | 26.4 | Very low | 89 Ų | 89 | 139.3 Ų | 139.3 | 54% | 0.539 | 73% | 0.731 | S | S | . | * | | | | 84.2 | 114.5 | 52 | 172.9 | 0 | 0 | 0 | 0 | 112.8 | N374 | N374-V376 PolarHBondContact OD1-N 3.46Š|
| 377 | Y | 24.9 | Very low | 26.2 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | | | trans | 68.5 | 152.9 | 178.3 | -52.1 | -42.9 | 0 | 0 | 0 | 115.8 | | |
| 378 | H | 28.2 | Very low | 26.2 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | | | cis | -108.9 | 157 | 8.9 | -75.5 | -120.2 | 0 | 0 | 0 | 111.4 | | |
| 379 | K | 24.1 | Very low | 26.1 | Very low | 168 Ų | 168 | 143.7 Ų | 143.7 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | | | | 52.5 | 137.9 | 60.7 | -67.5 | -178.8 | 178.3 | 177.2 | 0 | 110.8 | | |
| 380 | V | 27 | Very low | 27 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | | | cis | -138.5 | 161.9 | 45 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 381 | Y | 23.2 | Very low | 27 | Very low | 208 Ų | 208 | 142.1 Ų | 142.1 | 82% | 0.816 | 74% | 0.744 | S | S | * | * | | | trans | -90.2 | 170.9 | -179 | -115.5 | -98.8 | 0 | 0 | 0 | 112.3 | | |
| 382 | L | 22.6 | Very low | 27 | Very low | 152 Ų | 152 | 141.6 Ų | 141.6 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | | | trans | 71.5 | 157.5 | 162.8 | -54.5 | 137.3 | 0 | 0 | 0 | 115.6 | | |
| 383 | S | 22.4 | Very low | 26.8 | Very low | 84 Ų | 84 | 140.7 Ų | 140.7 | 59% | 0.587 | 75% | 0.746 | S | S | * | * | | | cis | -171 | 164.3 | -25.6 | -98.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 384 | T | 24.8 | Very low | 26.7 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | | | trans | 56.6 | 117.7 | 143.6 | 52.9 | 0 | 0 | 0 | 0 | 121.8 | | |
| 385 | S | 22.7 | Very low | 26.5 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | | 114.3 | 146.9 | 116 | 77.7 | 0 | 0 | 0 | 0 | 119.7 | | |
| 386 | R | 25.4 | Very low | 26.8 | Very low | 249 Ų | 249 | 142.3 Ų | 142.3 | 94% | 0.94 | 76% | 0.759 | S | S | * | * | | | trans | 64 | 146.6 | 166.2 | -65.2 | 172.7 | 167 | 180 | -5.1 | 116.5 | | |
| 387 | G | 23 | Very low | 26.9 | Very low | 64 Ų | 64 | 141.9 Ų | 141.9 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | | | cis | 148.8 | 124.6 | -11.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 388 | N | 26.3 | Very low | 27.2 | Very low | 154 Ų | 154 | 140 Ų | 140 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | | | trans | 66.4 | 117.6 | 165.7 | -55.5 | -12.2 | 0 | 0 | 0 | 119 | | |
| 389 | Y | 25.9 | Very low | 27.2 | Very low | 223 Ų | 223 | 139.1 Ų | 139.1 | 88% | 0.875 | 77% | 0.766 | S | S | * | * | | | | 29 | 155.2 | 96.9 | -83.8 | -72.1 | 0 | 0 | 0 | 119.5 | | |
| 390 | P | 43.7 | Very low | 27.3 | Very low | 95 Ų | 95 | 140.5 Ų | 140.5 | 62% | 0.617 | 77% | 0.767 | S | S | * | * | | | cis | -150.6 | -167.5 | 7.4 | 36.3 | -11.4 | 0 | 0 | 0 | 118.8 | | |
| 391 | N | 26.1 | Very low | 27.4 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 68% | 0.684 | 76% | 0.764 | S | S | * | * | | | trans | 99.9 | 118 | 131.3 | -83.8 | -1.9 | 0 | 0 | 0 | 125.6 | | |
| 392 | Y | 28.8 | Very low | 27.7 | Very low | 211 Ų | 211 | 143.2 Ų | 143.2 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | | | | 106.1 | 152.7 | 117.5 | -94.3 | -130.8 | 0 | 0 | 0 | 125.8 | | |
| 393 | A | 26.3 | Very low | 28.7 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | | | trans | 72.8 | 144.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 394 | G | 24.3 | Very low | 28.9 | Very low | 77 Ų | 77 | 146.7 Ų | 146.7 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | | | cis | -177.4 | 168.6 | -4.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 395 | N | 32.3 | Very low | 29 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | | | trans | -148.4 | 136.7 | -175 | -173.8 | 7.6 | 0 | 0 | 0 | 111 | | |
| 396 | P | 38.5 | Very low | 29.9 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | | | | -153.4 | 174.2 | 122.3 | 39.2 | -21.4 | 0 | 0 | 0 | 116.5 | | |
| 397 | A | 25.3 | Very low | 29.9 | Very low | 80 Ų | 80 | 139.1 Ų | 139.1 | 66% | 0.661 | 77% | 0.766 | S | S | * | * | | | trans | -90.1 | 170.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 398 | N | 29.8 | Very low | 30.2 | Very low | 140 Ų | 140 | 145.3 Ų | 145.3 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | | | | 172.2 | 139.3 | 119.7 | -95.8 | -66.4 | 0 | 0 | 0 | 117.7 | | |
| 399 | L | 28.9 | Very low | 30.3 | Very low | 145 Ų | 145 | 145.9 Ų | 145.9 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | | | trans | 33.1 | 136.4 | 137.4 | -60.1 | 165.7 | 0 | 0 | 0 | 122.8 | | |
| 400 | R | 27 | Very low | 31.6 | Very low | 197 Ų | 197 | 140.7 Ų | 140.7 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | | | | 180 | 139.3 | 96.8 | -97.6 | -179.4 | 176.6 | -178.4 | 1.4 | 117.2 | | |
| 401 | R | 27.8 | Very low | 30.8 | Very low | 205 Ų | 205 | 145.6 Ų | 145.6 | 77% | 0.774 | 78% | 0.783 | S | S | * | * | | | trans | 65.9 | 114.5 | 139 | -69.5 | 176.8 | 178.7 | -178.7 | -3.8 | 122.7 | | |
| 402 | K | 30.3 | Very low | 30.8 | Very low | 198 Ų | 198 | 142.1 Ų | 142.1 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | | | trans | -69.1 | 174 | 133.1 | -75.6 | -171.8 | 177.5 | -176.6 | 0 | 110.2 | | |
| 403 | P | 42.7 | Very low | 30.7 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | | | cis | -134.7 | 167.2 | 5.8 | 41.5 | -26 | 0 | 0 | 0 | 116.4 | | |
| 404 | Q | 27.2 | Very low | 30.7 | Very low | 197 Ų | 197 | 140.9 Ų | 140.9 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | | | trans | -164 | 135.5 | 143 | -118.9 | 165.4 | -26.6 | 0 | 0 | 114.5 | | |
| 405 | G | 27.9 | Very low | 30.9 | Very low | 63 Ų | 63 | 144 Ų | 144 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | | | trans | -122.3 | -164.4 | 142 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 406 | P | 40.2 | Very low | 30.9 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | cis | -135.5 | -136.6 | 10.6 | 43.3 | -23.7 | 0 | 0 | 0 | 111.6 | | |
| 407 | N | 26.7 | Very low | 30.8 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | | | trans | 84.5 | 129.7 | 167.5 | -131.9 | 1.8 | 0 | 0 | 0 | 114.4 | | |
| 408 | K | 28.3 | Very low | 31 | Very low | 194 Ų | 194 | 142.6 Ų | 142.6 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | | | cis | -124.3 | 163.2 | 18.9 | -65.2 | 175.8 | -179.9 | 179.3 | 0 | 114.4 | | |
| 409 | H | 29.1 | Very low | 30.9 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | -118.2 | -141.2 | -177.2 | -64.8 | -89.2 | 0 | 0 | 0 | 112.5 | | |
| 410 | P | 53.3 | Low | 31.4 | Very low | 114 Ų | 114 | 137 Ų | 137 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | | | | -134.4 | 177.4 | -112.7 | 43.4 | -24.2 | 0 | 0 | 0 | 116.2 | | |
| 411 | M | 27.1 | Very low | 31.5 | Very low | 199 Ų | 199 | 136.6 Ų | 136.6 | 98% | 0.98 | 77% | 0.773 | S | S | * | * | | | trans | 171 | 161.7 | 151.9 | -97.3 | 164.1 | -174.8 | 0 | 0 | 107.8 | | |
| 412 | G | 25.4 | Very low | 31.5 | Very low | 55 Ų | 55 | 136.3 Ų | 136.3 | 57% | 0.567 | 78% | 0.78 | S | S | * | * | | | cis | 170.5 | 175 | -0.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 413 | T | 26.6 | Very low | 31.2 | Very low | 137 Ų | 137 | 129.8 Ų | 129.8 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | | | trans | 63.4 | 122.5 | -176.9 | 16 | 0 | 0 | 0 | 0 | 114.6 | | |
| 414 | N | 26.2 | Very low | 31.2 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | | | cis | 61.9 | 111.4 | 44.1 | -64.3 | -30 | 0 | 0 | 0 | 114.8 | | |
| 415 | V | 28.8 | Very low | 31.2 | Very low | 141 Ų | 141 | 126.1 Ų | 126.1 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | | | | 178.5 | 116.1 | 120.6 | 151.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 416 | A | 31.6 | Very low | 31.2 | Very low | 90 Ų | 90 | 129.5 Ų | 129.5 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | | | trans | -97.9 | 161.7 | 148.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 417 | P | 35.9 | Very low | 30.8 | Very low | 112 Ų | 112 | 130 Ų | 130 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | | -158.8 | -162.5 | 75.7 | 35.4 | -9.9 | 0 | 0 | 0 | 116 | | |
| 418 | V | 30.9 | Very low | 30.8 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | | | trans | 70.5 | 127.2 | 160.3 | -125 | 0 | 0 | 0 | 0 | 119.9 | | |
| 419 | G | 28.1 | Very low | 31.1 | Very low | 67 Ų | 67 | 127.6 Ų | 127.6 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | | | trans | -89.5 | -117.7 | 143.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 420 | P | 38.9 | Very low | 31.2 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 66% | 0.662 | 75% | 0.746 | S | S | * | * | | | cis | -134.5 | -177.8 | -24.9 | 42.5 | -27.9 | 0 | 0 | 0 | 112 | | |
| 421 | K | 27.9 | Very low | 30 | Very low | 188 Ų | 188 | 127.9 Ų | 127.9 | 82% | 0.817 | 74% | 0.744 | S | S | * | * | | | trans | 63.9 | 123.6 | 162.8 | -58.8 | 172.8 | -178 | 178.2 | 0 | 117.6 | | |
| 422 | H | 29.2 | Very low | 30.1 | Very low | 198 Ų | 198 | 126.9 Ų | 126.9 | 92% | 0.917 | 74% | 0.737 | S | S | * | * | | | | -140.4 | 150.9 | 99.7 | -95.3 | -84.3 | 0 | 0 | 0 | 110.3 | | |
| 423 | G | 24.4 | Very low | 30.5 | Very low | 61 Ų | 61 | 131.5 Ų | 131.5 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | | | trans | -152.1 | -142.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 104.8 | | |
| 424 | P | 42.8 | Very low | 31 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | | | cis | -134.8 | -153.7 | -32.7 | 29.3 | -5.9 | 0 | 0 | 0 | 110.5 | | |
| 425 | V | 27 | Very low | 31 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 71% | 0.709 | 74% | 0.739 | S | S | * | * | | | trans | 77.3 | 142.5 | 165.8 | -159.5 | 0 | 0 | 0 | 0 | 112.9 | H427 | V425-H427 HydrophobicContact CG1-CB 3.96Š|
| 426 | V | 28 | Very low | 30.9 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 81% | 0.812 | 73% | 0.725 | S | S | * | * | | | cis | -134.8 | 144.3 | 34.1 | -166.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 427 | H | 31.1 | Very low | 30.8 | Very low | 131 Ų | 131 | 135.4 Ų | 135.4 | 61% | 0.606 | 73% | 0.726 | S | S | * | * | | | cis | 102.3 | 87 | 9.1 | -169.5 | -77.6 | 0 | 0 | 0 | 118.3 | V425 | V425-H427 HydrophobicContact CG1-CB 3.96Š|
| 428 | N | 27.2 | Very low | 30.3 | Very low | 155 Ų | 155 | 137.3 Ų | 137.3 | 83% | 0.829 | 73% | 0.725 | S | S | * | * | | | trans | -137.3 | 127 | 153.5 | -85.4 | -35.3 | 0 | 0 | 0 | 107.4 | | |
| 429 | E | 33.5 | Very low | 30.3 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 56% | 0.561 | 73% | 0.732 | S | S | * | * | | | | 67.9 | 128.6 | 56.4 | -66.7 | -112.1 | 150.1 | 0 | 0 | 112.7 | | |
| 430 | K | 30.6 | Very low | 30.2 | Very low | 152 Ų | 152 | 139.3 Ų | 139.3 | 66% | 0.661 | 73% | 0.729 | S | S | * | * | | | cis | -168.3 | -171.2 | -4.8 | -168.1 | 175.2 | -106.9 | 150.5 | 0 | 107.8 | | |
| 431 | I | 28.1 | Very low | 30.3 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | | | trans | 92.9 | 114 | 151.5 | -65.1 | 159.9 | 0 | 0 | 0 | 120.2 | | |
| 432 | Q | 30.1 | Very low | 30.6 | Very low | 179 Ų | 179 | 139.1 Ų | 139.1 | 84% | 0.836 | 73% | 0.73 | S | S | * | * | | | trans | 59.1 | 146 | 140.2 | -66.1 | 171.4 | 1.6 | 0 | 0 | 124.6 | | |
| 433 | N | 33 | Very low | 30.6 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 81% | 0.807 | 72% | 0.717 | S | S | * | * | | | trans | -114.2 | 132.7 | 170.5 | -160.2 | 8.5 | 0 | 0 | 0 | 107.9 | | |
| 434 | P | 38.5 | Very low | 30.7 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 72% | 0.721 | 72% | 0.722 | S | S | * | * | | | trans | -123.7 | 115.1 | 149.3 | 10.6 | 10.4 | 0 | 0 | 0 | 110.1 | | |
| 435 | R | 25.1 | Very low | 30 | Very low | 196 Ų | 196 | 142.2 Ų | 142.2 | 74% | 0.74 | 72% | 0.722 | S | S | * | * | | | | 78.8 | 117.9 | 75.9 | -87.7 | -176.4 | 164.6 | -123.6 | -4.1 | 114.5 | | |
| 436 | E | 28.1 | Very low | 30 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 55% | 0.547 | 72% | 0.724 | S | S | . | * | | | trans | 67.2 | 148.3 | 143.5 | -51.9 | 161.8 | -157.1 | 0 | 0 | 115.8 | | |
| 437 | K | 28 | Very low | 30.6 | Very low | 176 Ų | 176 | 143.2 Ų | 143.2 | 77% | 0.765 | 72% | 0.722 | S | S | * | * | | | cis | -140.5 | 128.3 | 27.7 | -79.2 | 178.6 | -177.5 | 175.7 | 0 | 109.4 | | |
| 438 | H | 26.6 | Very low | 31 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 71% | 0.708 | 73% | 0.728 | S | S | * | * | | | | 74 | 131.9 | 83.3 | -94.2 | -76.8 | 0 | 0 | 0 | 115.1 | | |
| 439 | L | 31.3 | Very low | 31 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 91% | 0.911 | 73% | 0.727 | S | S | * | * | | | trans | 67.7 | 150.6 | 166.5 | -54.8 | 161.8 | 0 | 0 | 0 | 114.6 | | |
| 440 | G | 24.9 | Very low | 30.7 | Very low | 61 Ų | 61 | 144.4 Ų | 144.4 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | | | cis | 179.8 | 165.8 | -3.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 441 | P | 41.8 | Very low | 30.9 | Very low | 126 Ų | 126 | 144.4 Ų | 144.4 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | | | trans | -77.4 | 159 | 179.9 | 34.2 | -36.2 | 0 | 0 | 0 | 111.8 | | |
| 442 | K | 32.4 | Very low | 31.7 | Very low | 159 Ų | 159 | 143.6 Ų | 143.6 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | | | trans | -175.4 | 130.9 | 134 | -100.5 | -175 | -176.8 | -63.1 | 0 | 109 | | |
| 443 | E | 30.2 | Very low | 31.6 | Very low | 135 Ų | 135 | 141.3 Ų | 141.3 | 63% | 0.631 | 75% | 0.748 | S | S | * | * | | | | 61 | 118.5 | 89.8 | -70.9 | 165.3 | -134.3 | 0 | 0 | 112.3 | | |
| 444 | Q | 26.5 | Very low | 31.5 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | | | | 89.5 | 87.4 | 57.2 | -175.6 | -169.4 | 80.7 | 0 | 0 | 112.8 | | |
| 445 | I | 28.7 | Very low | 31.8 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | | | trans | 66.4 | 168 | 144.4 | -41.6 | 168.5 | 0 | 0 | 0 | 116.3 | | |
| 446 | I | 26.6 | Very low | 31.7 | Very low | 145 Ų | 145 | 134.7 Ų | 134.7 | 74% | 0.744 | 76% | 0.755 | S | S | * | * | | | trans | 78.7 | 101.2 | 164.4 | -47.8 | -179.7 | 0 | 0 | 0 | 113.7 | | |
| 447 | V | 40.2 | Very low | 31.8 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | | 64.9 | 118 | 65.4 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 448 | P | 39.3 | Very low | 31.7 | Very low | 115 Ų | 115 | 139 Ų | 139 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | | | | -145.7 | -174.2 | 68.2 | 39.6 | -17.3 | 0 | 0 | 0 | 113.6 | | |
| 449 | T | 26.6 | Very low | 31.8 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | | -170.7 | 158.3 | 75.2 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 450 | K | 29 | Very low | 31.8 | Very low | 185 Ų | 185 | 135.9 Ų | 135.9 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | -90.4 | 155.2 | -174.7 | -56 | 173.2 | -179.9 | 174.5 | 0 | 113.4 | | |
| 451 | N | 34.7 | Very low | 32.1 | Very low | 152 Ų | 152 | 141.7 Ų | 141.7 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | | | trans | 26.4 | 141.4 | 134.9 | -65.1 | 20 | 0 | 0 | 0 | 119.9 | | |
| 452 | P | 43.7 | Very low | 31.3 | Very low | 118 Ų | 118 | 144.6 Ų | 144.6 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | | | | -140.2 | -175.2 | 63.6 | 39.2 | -18.8 | 0 | 0 | 0 | 113.5 | | |
| 453 | T | 29.2 | Very low | 31.1 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | | | cis | -154.8 | 139.2 | 26.3 | -59 | 0 | 0 | 0 | 0 | 112 | | |
| 454 | S | 29.7 | Very low | 30.9 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | -100 | 169.6 | 163.7 | -30 | 0 | 0 | 0 | 0 | 109.7 | | |
| 455 | P | 44.5 | Very low | 31 | Very low | 136 Ų | 136 | 140 Ų | 140 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | | | cis | -148.8 | -178.4 | 40.9 | 42.1 | -21.1 | 0 | 0 | 0 | 117 | | |
| 456 | G | 24.1 | Very low | 31 | Very low | 76 Ų | 76 | 140.6 Ų | 140.6 | 78% | 0.784 | 76% | 0.76 | S | S | * | * | | | trans | 172 | 64.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 457 | R | 29.2 | Very low | 31.1 | Very low | 233 Ų | 233 | 137.9 Ų | 137.9 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | | | trans | 5.2 | 125.2 | 157.7 | -62.7 | 179.7 | 169.7 | -160.3 | -3.3 | 120.7 | | |
| 458 | N | 27.3 | Very low | 30.5 | Very low | 152 Ų | 152 | 138 Ų | 138 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | | | | 169 | 166.1 | 110.2 | -87.1 | -21.4 | 0 | 0 | 0 | 115.2 | | |
| 459 | S | 28.8 | Very low | 29.9 | Very low | 94 Ų | 94 | 141.4 Ų | 141.4 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | | | trans | -43.2 | 160.9 | 166.3 | 45.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 460 | Q | 29.7 | Very low | 29.8 | Very low | 167 Ų | 167 | 143.4 Ų | 143.4 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | | | cis | -159.7 | 171.9 | 12.3 | -120.5 | 157.9 | 6.7 | 0 | 0 | 106.5 | | |
| 461 | Q | 31.3 | Very low | 29.8 | Very low | 182 Ų | 182 | 142.3 Ų | 142.3 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | | | cis | -135.8 | 168.3 | 28.9 | -67.8 | 176.1 | -31.1 | 0 | 0 | 112.9 | | |
| 462 | Y | 25.8 | Very low | 30.4 | Very low | 188 Ų | 188 | 139.6 Ų | 139.6 | 74% | 0.737 | 74% | 0.739 | S | S | * | * | | | trans | -53.7 | 136.2 | -171.6 | -100.1 | -132.8 | 0 | 0 | 0 | 116 | | |
| 463 | E | 27.2 | Very low | 29.7 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 65% | 0.654 | 74% | 0.742 | S | S | * | * | | | | 84.2 | 143.7 | 71.5 | -81.9 | -153.7 | -174.2 | 0 | 0 | 114.6 | | |
| 464 | V | 27.9 | Very low | 29.7 | Very low | 106 Ų | 106 | 142 Ų | 142 | 64% | 0.642 | 74% | 0.744 | S | S | * | * | | | cis | -166 | 171.6 | -14.8 | 72.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 465 | N | 27.2 | Very low | 29.7 | Very low | 108 Ų | 108 | 145.8 Ų | 145.8 | 58% | 0.578 | 75% | 0.75 | S | S | * | * | | | trans | 84.3 | 127.2 | 155.1 | -89.2 | -32.3 | 0 | 0 | 0 | 122.9 | | |
| 466 | K | 29.4 | Very low | 28.8 | Very low | 161 Ų | 161 | 142.5 Ų | 142.5 | 70% | 0.7 | 74% | 0.741 | S | S | * | * | | | | 68.1 | 100.1 | 129.5 | -70.7 | 164.3 | -171.6 | 152.1 | 0 | 121 | | |
| 467 | S | 28.5 | Very low | 28.9 | Very low | 87 Ų | 87 | 149.4 Ų | 149.4 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | | | | -2.4 | 136.9 | 111.8 | 61.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 468 | N | 27.7 | Very low | 28.9 | Very low | 129 Ų | 129 | 143.9 Ų | 143.9 | 69% | 0.69 | 74% | 0.737 | S | S | * | * | | | | 144.1 | 135.6 | 122.7 | -78.1 | -37 | 0 | 0 | 0 | 115.3 | | |
| 469 | Y | 26.2 | Very low | 29.3 | Very low | 188 Ų | 188 | 142.2 Ų | 142.2 | 74% | 0.737 | 74% | 0.735 | S | S | * | * | | | trans | 69.2 | 137.4 | 135.1 | -78.6 | -134.6 | 0 | 0 | 0 | 121.6 | | |
| 470 | K | 25.4 | Very low | 29.6 | Very low | 173 Ų | 173 | 144.2 Ų | 144.2 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | | | trans | 38.7 | 112.7 | 135.8 | -54.5 | -175.3 | -176 | -177.6 | 0 | 120 | | |
| 471 | L | 28.5 | Very low | 29.9 | Very low | 162 Ų | 162 | 141.2 Ų | 141.2 | 85% | 0.848 | 74% | 0.738 | S | S | * | * | | | | 33.6 | 141.5 | 93.6 | -149.6 | 86.9 | 0 | 0 | 0 | 117.9 | | |
| 472 | P | 47.4 | Very low | 29.7 | Very low | 95 Ų | 95 | 137.4 Ų | 137.4 | 62% | 0.617 | 72% | 0.723 | S | S | * | * | | | cis | -130.5 | -163.8 | -46.8 | 42.1 | -26.8 | 0 | 0 | 0 | 111.8 | | |
| 473 | H | 28.5 | Very low | 29.8 | Very low | 178 Ų | 178 | 135.8 Ų | 135.8 | 82% | 0.824 | 72% | 0.72 | S | S | * | * | | | trans | 70.8 | 130.8 | 162.4 | -80.4 | 45.1 | 0 | 0 | 0 | 119.7 | | |
| 474 | S | 28.6 | Very low | 29.7 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 85% | 0.846 | 72% | 0.717 | S | S | * | * | | | trans | -156.8 | 132.3 | 130.6 | -170 | 0 | 0 | 0 | 0 | 109.1 | | |
| 475 | E | 29.4 | Very low | 29.7 | Very low | 185 Ų | 185 | 132.1 Ų | 132.1 | 86% | 0.864 | 71% | 0.707 | S | S | * | * | | | trans | -79.3 | 158.5 | 162.5 | -64.2 | 173.1 | 111.6 | 0 | 0 | 109.5 | | |
| 476 | G | 25.7 | Very low | 29.8 | Very low | 68 Ų | 68 | 132.7 Ų | 132.7 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | | | trans | 160.2 | 72.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 477 | Y | 27.2 | Very low | 29.9 | Very low | 220 Ų | 220 | 128.3 Ų | 128.3 | 86% | 0.863 | 70% | 0.698 | S | S | * | * | | | trans | 42.2 | 111.4 | 150.4 | -80.4 | -99.6 | 0 | 0 | 0 | 121.4 | | |
| 478 | T | 28.2 | Very low | 30 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 72% | 0.718 | 70% | 0.699 | S | S | * | * | | | | 24.1 | 154.2 | 124.8 | 59.9 | 0 | 0 | 0 | 0 | 122.5 | | |
| 479 | P | 36.3 | Very low | 30.1 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 77% | 0.766 | 70% | 0.697 | S | S | * | * | | | cis | -138.1 | 174.4 | 9.6 | 33.7 | -11.6 | 0 | 0 | 0 | 118 | | |
| 480 | V | 36.3 | Very low | 30.3 | Very low | 136 Ų | 136 | 129.2 Ų | 129.2 | 82% | 0.824 | 70% | 0.695 | S | S | * | * | | | trans | -53.1 | 134.7 | 161.5 | 168.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 481 | P | 35.8 | Very low | 30.2 | Very low | 104 Ų | 104 | 127.7 Ų | 127.7 | 68% | 0.675 | 70% | 0.695 | S | S | * | * | | | | -151.2 | 173.6 | 103.9 | 39 | -21.3 | 0 | 0 | 0 | 114.3 | I272 | I272-P481 HydrophobicContact CD1-CB 3.92Å; I272-P481 HydrophobicContact CD1-CG 4.14Å |
| 482 | N | 26.7 | Very low | 30.1 | Very low | 101 Ų | 101 | 122.8 Ų | 122.8 | 54% | 0.54 | 67% | 0.674 | S | S | . | * | | | cis | -171.6 | -178.6 | -22.3 | 169.7 | 40 | 0 | 0 | 0 | 107.2 | I272 | I272-N482 HydrophobicContact CD1-CB 3.64Å; I272-N482 HydrophobicContact CG1-CB 3.71Å; I272-N482 WeakPolarHBondContact CG2-ND2 3Å |
| 483 | F | 27.8 | Very low | 29.6 | Very low | 154 Ų | 154 | 129.6 Ų | 129.6 | 68% | 0.675 | 69% | 0.689 | S | S | * | * | | | trans | -69.3 | 167.9 | -164.9 | -73.2 | -135 | 0 | 0 | 0 | 117.8 | | |
| 484 | N | 25.8 | Very low | 29.8 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 58% | 0.578 | 69% | 0.685 | S | S | * | * | | | trans | 70.6 | 151 | 147.6 | -71.5 | -1.9 | 0 | 0 | 0 | 118.7 | G269 N270 S271 | G269-N484 CarbonylContact O-C 3.03Å; N270-N484 CarbonylContact C-O 3.42Å; N270-N484 VanDerWaalsContact CA-O 3.29Å; N270-N484 WeakPolarHBondContact CA-O 3.5Å; S271-N484 PolarHBondContact N-O 3.49Å |
| 485 | S | 26.5 | Very low | 30.3 | Very low | 62 Ų | 62 | 129 Ų | 129 | 43% | 0.434 | 68% | 0.675 | S | S | . | * | | | cis | -162.7 | 176.9 | 4.2 | 25.6 | 0 | 0 | 0 | 0 | 113.3 | G269 | G269-S485 CarbonylContact C-O 3.16Å; G269-S485 WeakPolarHBondContact CA-O 3.23Å; G269-S485 PolarHBondContact N-O 2.68Å; G269-S485 PolarHBondContact O-N 3.46Å; G269-S485 VanDerWaalsContact O-O 3.06Å |
| 486 | V | 29.7 | Very low | 30.2 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | | | trans | 34.2 | 117.5 | 142.7 | 177.8 | 0 | 0 | 0 | 0 | 120.4 | T268 G269 | T268-V486 CarbonylContact C-O 3.47Å; T268-V486 VanDerWaalsContact C-O 3.27Å; G269-V486 PolarHBondContact N-O 3.15Å |
| 487 | D | 31.4 | Very low | 30.6 | Very low | 68 Ų | 68 | 132.8 Ų | 132.8 | 36% | 0.364 | 67% | 0.666 | S | S | . | * | | | trans | 24.3 | 137 | 130.9 | -101.2 | 39.1 | 0 | 0 | 0 | 124.4 | S266 P267 | S266-D487 VanDerWaalsContact CA-OD1 3.31Å; S266-D487 WeakPolarHBondContact CA-OD1 3.44Å; P267-D487 VanDerWaalsContact C-CA 3.5Å; P267-D487 WeakPolarHBondContact O-CA 3.1Å |
| 488 | Q | 30.6 | Very low | 30.6 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 64% | 0.636 | 66% | 0.663 | S | S | * | * | | | trans | 97.6 | 154.9 | 139.5 | -75.2 | 173.5 | 38.5 | 0 | 0 | 122.5 | P267 | P267-Q488 PolarHBondContact O-N 3.3Š|
| 489 | H | 30.2 | Very low | 30.6 | Very low | 140 Ų | 140 | 129 Ų | 129 | 65% | 0.648 | 67% | 0.665 | S | S | * | * | | | trans | 58.4 | 108.6 | -176.7 | -73.1 | -79.9 | 0 | 0 | 0 | 116.8 | | |
| 490 | E | 29.4 | Very low | 30.4 | Very low | 147 Ų | 147 | 134 Ų | 134 | 69% | 0.687 | 67% | 0.669 | S | S | * | * | | | | 94.9 | 163.4 | 53.2 | -86.3 | -170.6 | 176.1 | 0 | 0 | 112.6 | | |
| 491 | N | 25.2 | Very low | 30.1 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 75% | 0.754 | 67% | 0.667 | S | S | * | * | | | trans | 72.3 | 129.6 | 171 | -67.4 | -38.8 | 0 | 0 | 0 | 115.7 | | |
| 492 | S | 25 | Very low | 29.6 | Very low | 60 Ų | 60 | 135.8 Ų | 135.8 | 42% | 0.42 | 66% | 0.662 | S | S | . | * | | | cis | -168.8 | 160.8 | -0.8 | 43 | 0 | 0 | 0 | 0 | 111.5 | Y494 | S492-Y494 VanDerWaalsContact CB-C 3.43Å; S492-Y494 WeakPolarHBondContact CB-O 3.35Å; S492-Y494 PolarHBondContact O-N 2.86Å; S492-Y494 WeakPolarHBondContact OG-CA 3.33Å; S492-Y494 PolarHBondContact OG-N 2.92Å; S492-Y494 VanDerWaalsContact OG-N 3.14Å |
| 493 | Y | 36.5 | Very low | 30.2 | Very low | 237 Ų | 237 | 134.8 Ų | 134.8 | 93% | 0.929 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -74.2 | 67 | 141.4 | -119.9 | -92.4 | 0 | 0 | 0 | 108.6 | | |
| 494 | Y | 33.9 | Very low | 30.2 | Very low | 190 Ų | 190 | 130.7 Ų | 130.7 | 75% | 0.745 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 69 | 144.1 | 179.8 | -65.1 | -82.3 | 0 | 0 | 0 | 119.4 | S492 | S492-Y494 VanDerWaalsContact CB-C 3.43Å; S492-Y494 WeakPolarHBondContact CB-O 3.35Å; S492-Y494 PolarHBondContact O-N 2.86Å; S492-Y494 WeakPolarHBondContact OG-CA 3.33Å; S492-Y494 PolarHBondContact OG-N 2.92Å; S492-Y494 VanDerWaalsContact OG-N 3.14Å |
| 495 | P | 38.4 | Very low | 30.4 | Very low | 96 Ų | 96 | 129.9 Ų | 129.9 | 62% | 0.623 | 65% | 0.649 | S | S | * | * | | | cis | -136.6 | 153.6 | -5.7 | 37.9 | -19.3 | 0 | 0 | 0 | 118.6 | | |
| 496 | R | 28.4 | Very low | 30.5 | Very low | 191 Ų | 191 | 133.9 Ų | 133.9 | 72% | 0.721 | 67% | 0.666 | S | S | * | * | | | trans | 74 | 123.1 | 136.7 | -79.9 | 175 | 163.9 | -102.9 | -11.3 | 124.4 | | |
| 497 | E | 32.9 | Very low | 30.6 | Very low | 142 Ų | 142 | 131.9 Ų | 131.9 | 66% | 0.664 | 67% | 0.67 | S | S | * | * | | | | 87.5 | 132 | 125.4 | -71.2 | 165.9 | 150.1 | 0 | 0 | 123.3 | | |
| 498 | D | 26.7 | Very low | 30.5 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 80% | 0.802 | 69% | 0.693 | S | S | * | * | | | trans | -62.3 | 155.5 | -175.1 | -52 | -93.7 | 0 | 0 | 0 | 117.6 | | |
| 499 | S | 29.8 | Very low | 30.5 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | | | | 165.6 | 131 | 114.1 | -79.8 | 0 | 0 | 0 | 0 | 118.6 | | |
| 500 | R | 31.8 | Very low | 30.3 | Very low | 225 Ų | 225 | 137.5 Ų | 137.5 | 85% | 0.849 | 70% | 0.702 | S | S | * | * | | | trans | 67.3 | 113.6 | 139.4 | -66.7 | 178.3 | 170.7 | -169.8 | -0.6 | 124.1 | | |
| 501 | K | 30.3 | Very low | 30.1 | Very low | 182 Ų | 182 | 135.2 Ų | 135.2 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | | | | 71.3 | 114.1 | 122.9 | -71.6 | -170.2 | 172.3 | -169.2 | 0 | 123.9 | | |
| 502 | V | 24.7 | Very low | 30.5 | Very low | 95 Ų | 95 | 137.1 Ų | 137.1 | 58% | 0.576 | 71% | 0.706 | S | S | * | * | | | | 54.7 | 137 | 106.7 | 167.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 503 | P | 39.4 | Very low | 30.9 | Very low | 80 Ų | 80 | 142.5 Ų | 142.5 | 52% | 0.519 | 73% | 0.728 | S | S | . | * | | | cis | -145.9 | -165.5 | -2.9 | 44 | -22.5 | 0 | 0 | 0 | 118.7 | P275 | P275-P503 WeakPolarHBondContact O-CB 3.47Å; P275-P503 VanDerWaalsContact O-CG 3.22Å; P275-P503 WeakPolarHBondContact O-CG 3.27Å |
| 504 | N | 26.9 | Very low | 30.9 | Very low | 67 Ų | 67 | 138.6 Ų | 138.6 | 36% | 0.358 | 72% | 0.723 | S | S | . | * | | | trans | -21.1 | 152.6 | 170.3 | -54.6 | 18.2 | 0 | 0 | 0 | 123.1 | N276 | N276-N504 PolarHBondContact OD1-ND2 2.76Š|
| 505 | S | 29.8 | Very low | 31.4 | Very low | 92 Ų | 92 | 134.2 Ų | 134.2 | 64% | 0.643 | 72% | 0.718 | S | S | * | * | | | trans | -162.1 | 158.3 | 133.8 | -80.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 506 | D | 30.3 | Very low | 31 | Very low | 146 Ų | 146 | 139.2 Ų | 139.2 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | | | trans | -79.8 | 163.1 | 179.4 | -52.5 | -88.3 | 0 | 0 | 0 | 113.9 | | |
| 507 | G | 31.9 | Very low | 31.1 | Very low | 78 Ų | 78 | 133.2 Ų | 133.2 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | | | trans | 177.8 | 145.6 | 168 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 508 | Q | 28.7 | Very low | 31 | Very low | 184 Ų | 184 | 135.1 Ų | 135.1 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | | | trans | -59.9 | 170.4 | 168.2 | -58.5 | 154.7 | -77.6 | 0 | 0 | 111.7 | | |
| 509 | T | 30.1 | Very low | 31.1 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 66% | 0.663 | 73% | 0.733 | S | S | * | * | | | cis | -159.9 | 143 | 32.1 | -4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 510 | Q | 25.1 | Very low | 31.2 | Very low | 170 Ų | 170 | 136.2 Ų | 136.2 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | | | | 55.8 | 135.1 | 89.7 | -157.9 | 179.8 | 12.9 | 0 | 0 | 116.8 | | |
| 511 | S | 25.2 | Very low | 31.3 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 69% | 0.692 | 73% | 0.733 | S | S | * | * | | | trans | 76.3 | 122.9 | 162.9 | 69.3 | 0 | 0 | 0 | 0 | 120.3 | | |
| 512 | Q | 35.2 | Very low | 32.1 | Very low | 181 Ų | 181 | 126.9 Ų | 126.9 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | | | trans | 45.9 | 132.2 | 134.1 | -55.8 | 176.8 | 12.5 | 0 | 0 | 120.5 | | |
| 513 | I | 33.5 | Very low | 32.4 | Very low | 172 Ų | 172 | 132.6 Ų | 132.6 | 88% | 0.882 | 74% | 0.744 | S | S | * | * | | | | -172.4 | 142.4 | 121.3 | -98.3 | 155.3 | 0 | 0 | 0 | 112.1 | | |
| 514 | L | 35.6 | Very low | 32 | Very low | 156 Ų | 156 | 138.9 Ų | 138.9 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | | | trans | -75.7 | -169.5 | 173.5 | -89.9 | 157.9 | 0 | 0 | 0 | 110.4 | | |
| 515 | P | 44.8 | Very low | 32.3 | Very low | 98 Ų | 98 | 143.2 Ų | 143.2 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | | | cis | -158.8 | -161.1 | 30.5 | 37.5 | -9 | 0 | 0 | 0 | 118.6 | | |
| 516 | K | 30.7 | Very low | 33.2 | Very low | 201 Ų | 201 | 143.3 Ų | 143.3 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | trans | 93.3 | 128.4 | 162.1 | -55.7 | 156.1 | -175.9 | 174.7 | 0 | 115.7 | | |
| 517 | G | 29.1 | Very low | 33.2 | Very low | 65 Ų | 65 | 145.8 Ų | 145.8 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | | | cis | -175.7 | 143.6 | -5.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 518 | M | 31.3 | Very low | 33.1 | Very low | 182 Ų | 182 | 150 Ų | 150 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | | | | 77.6 | 129.7 | 83.7 | -82.8 | -173.7 | 72.3 | 0 | 0 | 114 | | |
| 519 | V | 29.1 | Very low | 33.3 | Very low | 114 Ų | 114 | 145.9 Ų | 145.9 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | | | cis | -159.5 | 175.7 | 5.6 | -158.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 520 | L | 32.1 | Very low | 33.4 | Very low | 166 Ų | 166 | 148.9 Ų | 148.9 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | | | trans | 88.5 | 145 | 158.4 | -61.2 | 175.7 | 0 | 0 | 0 | 117.7 | | |
| 521 | A | 32.9 | Very low | 33.8 | Very low | 88 Ų | 88 | 146 Ų | 146 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | cis | -158.3 | 171.6 | -5.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 522 | P | 48.3 | Very low | 34.1 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | | | trans | -123.3 | 169.9 | -154.6 | 42.8 | -33 | 0 | 0 | 0 | 118.1 | | |
| 523 | R | 30.1 | Very low | 33.9 | Very low | 215 Ų | 215 | 147.1 Ų | 147.1 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | | | trans | -171.3 | 141.4 | 146.8 | -113.8 | 176.5 | 178 | 177.2 | 0.7 | 117.7 | | |
| 524 | R | 31.7 | Very low | 34.3 | Very low | 213 Ų | 213 | 143.5 Ų | 143.5 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | trans | 78 | 157.9 | 149.1 | -75 | 177 | 174.9 | 168.6 | -4.5 | 122.1 | | |
| 525 | I | 32.9 | Very low | 34 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | | | trans | -162.5 | -175.6 | -169 | 10.8 | 167.5 | 0 | 0 | 0 | 105.6 | | |
| 526 | P | 48.9 | Very low | 33.3 | Very low | 94 Ų | 94 | 146 Ų | 146 | 61% | 0.61 | 76% | 0.757 | S | S | * | * | | | cis | -135.5 | -152.4 | -16.4 | 26.5 | 0.4 | 0 | 0 | 0 | 112.7 | | |
| 527 | Y | 30.4 | Very low | 33.3 | Very low | 198 Ų | 198 | 144.6 Ų | 144.6 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | | | trans | 78.8 | 152.9 | 166 | -68.6 | -73.2 | 0 | 0 | 0 | 117.8 | | |
| 528 | E | 30.2 | Very low | 33.5 | Very low | 167 Ų | 167 | 149.7 Ų | 149.7 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | | | cis | -137.6 | -177 | 3.6 | -155.9 | 126.7 | -123.5 | 0 | 0 | 112.4 | | |
| 529 | S | 32.4 | Very low | 33.3 | Very low | 97 Ų | 97 | 146.6 Ų | 146.6 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | | | trans | -135.7 | 176.3 | -167.2 | 56.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 530 | E | 32 | Very low | 33.3 | Very low | 170 Ų | 170 | 145.9 Ų | 145.9 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | | | trans | 75.8 | 126.8 | 160.6 | -120.6 | 176.1 | 176.8 | 0 | 0 | 115.6 | | |
| 531 | T | 33.4 | Very low | 33.1 | Very low | 111 Ų | 111 | 148.1 Ų | 148.1 | 68% | 0.681 | 76% | 0.758 | S | S | * | * | | | | -168 | 139.1 | 63 | 27 | 0 | 0 | 0 | 0 | 114.6 | | |
| 532 | N | 31.6 | Very low | 33.1 | Very low | 131 Ų | 131 | 151.1 Ų | 151.1 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | | | trans | 70.2 | 124.8 | 137.5 | -71.8 | -44.2 | 0 | 0 | 0 | 125.2 | | |
| 533 | Q | 30.7 | Very low | 32.2 | Very low | 171 Ų | 171 | 151 Ų | 151 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | | | trans | 80.1 | 148.9 | 147.2 | -62.7 | -68.4 | -52.1 | 0 | 0 | 118.7 | | |
| 534 | P | 41.2 | Very low | 32 | Very low | 96 Ų | 96 | 143.4 Ų | 143.4 | 62% | 0.623 | 74% | 0.739 | S | S | * | * | | | trans | -136.4 | -169.3 | -138.5 | 45 | -27.3 | 0 | 0 | 0 | 115.7 | | |
| 535 | E | 29.5 | Very low | 31.7 | Very low | 169 Ų | 169 | 140.5 Ų | 140.5 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | | | trans | 81.6 | 142 | 155.1 | -78.1 | -171.3 | -174.7 | 0 | 0 | 121.1 | | |
| 536 | L | 31.6 | Very low | 31.4 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | | | trans | 45 | 109.3 | 159.8 | -84.9 | 68.6 | 0 | 0 | 0 | 119.9 | | |
| 537 | K | 29.3 | Very low | 31.5 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | | | | 23.5 | 121.5 | 113.1 | -50.9 | 178.9 | 180 | -178 | 0 | 114.7 | | |
| 538 | H | 33 | Very low | 31.6 | Very low | 172 Ų | 172 | 140.7 Ų | 140.7 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | | | cis | -147.8 | 164.1 | 43.2 | -78.8 | -94.6 | 0 | 0 | 0 | 111.8 | A540 | H538-A540 PolarHBondContact O-N 3.42Š|
| 539 | S | 27.3 | Very low | 31.4 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 123.6 | 179.8 | 52.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 540 | A | 29.8 | Very low | 31.3 | Very low | 100 Ų | 100 | 142.7 Ų | 142.7 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 170.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112 | H538 | H538-A540 PolarHBondContact O-N 3.42Š|
| 541 | Y | 28 | Very low | 31.5 | Very low | 212 Ų | 212 | 140.5 Ų | 140.5 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 146.4 | -169 | -84 | -111.3 | 0 | 0 | 0 | 114.4 | | |
| 542 | Q | 32.3 | Very low | 31.1 | Very low | 151 Ų | 151 | 141.3 Ų | 141.3 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | trans | 67.5 | 158.2 | 154.2 | -68.7 | 176.9 | -10.3 | 0 | 0 | 115.8 | A544 | Q542-A544 HydrophobicContact CB-CB 3.87Å; Q542-A544 HydrophobicContact CG-CB 4.3Å |
| 543 | P | 29.9 | Very low | 31.1 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | | | | -98 | 158.4 | 59.7 | -6 | 26 | 0 | 0 | 0 | 113.1 | | |
| 544 | A | 25.3 | Very low | 30.9 | Very low | 54 Ų | 54 | 141.3 Ų | 141.3 | 45% | 0.446 | 77% | 0.771 | S | S | . | * | | | cis | 62.4 | 83.3 | 4.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | Q542 | Q542-A544 HydrophobicContact CB-CB 3.87Å; Q542-A544 HydrophobicContact CG-CB 4.3Å |
| 545 | V | 26.2 | Very low | 30.3 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 93% | 0.927 | 78% | 0.777 | S | S | * | * | | | trans | -89.3 | 116 | 147.7 | 178.9 | 0 | 0 | 0 | 0 | 107 | | |
| 546 | H | 26.3 | Very low | 30.1 | Very low | 163 Ų | 163 | 144 Ų | 144 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | | | trans | -161.5 | 175.2 | -163 | -128.7 | -4.8 | 0 | 0 | 0 | 107.3 | | |
| 547 | P | 52 | Low | 30.3 | Very low | 108 Ų | 108 | 147.2 Ų | 147.2 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | | -126.1 | -175.7 | -93.7 | 42 | -28.4 | 0 | 0 | 0 | 113.7 | | |
| 548 | E | 30.7 | Very low | 30.8 | Very low | 183 Ų | 183 | 144.9 Ų | 144.9 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | | | trans | -144.2 | 135.6 | 162.3 | -90.7 | 179.1 | 163.8 | 0 | 0 | 107.7 | | |
| 549 | E | 27.2 | Very low | 30.5 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | | | cis | -138.3 | 149.5 | -1.3 | -69.4 | -171.9 | 97.9 | 0 | 0 | 113.1 | | |
| 550 | I | 29.4 | Very low | 30.5 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | | | trans | 39 | 120.4 | 141.9 | -54.1 | 171.2 | 0 | 0 | 0 | 120.7 | | |
| 551 | P | 36.2 | Very low | 30.5 | Very low | 124 Ų | 124 | 145.4 Ų | 145.4 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | | | trans | -91 | 163.7 | 161.5 | 37.8 | -33.7 | 0 | 0 | 0 | 112.9 | | |
| 552 | S | 26.6 | Very low | 30.5 | Very low | 128 Ų | 128 | 141.6 Ų | 141.6 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | | | trans | -131.9 | 119.5 | 164.6 | -160.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 553 | A | 30.1 | Very low | 30.3 | Very low | 94 Ų | 94 | 141.7 Ų | 141.7 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | | | trans | -102.2 | 145.7 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 554 | K | 26.6 | Very low | 30.3 | Very low | 208 Ų | 208 | 146.8 Ų | 146.8 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | | | trans | -144.3 | 112.8 | 157 | -121.4 | 170.9 | -174.4 | 173.9 | 0 | 110.8 | | |
| 555 | E | 28.5 | Very low | 30.3 | Very low | 158 Ų | 158 | 151.6 Ų | 151.6 | 74% | 0.738 | 82% | 0.815 | S | S | * | * | | | trans | -65.4 | 160 | 168.5 | -56.4 | 148.5 | 115.4 | 0 | 0 | 110 | | |
| 556 | H | 25.5 | Very low | 30.5 | Very low | 163 Ų | 163 | 151.6 Ų | 151.6 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | | | | 168.8 | 109.7 | 108.9 | -88.7 | 84.8 | 0 | 0 | 0 | 110 | | |
| 557 | F | 35.3 | Very low | 30.7 | Very low | 205 Ų | 205 | 152.9 Ų | 152.9 | 90% | 0.899 | 81% | 0.811 | S | S | * | * | | | trans | -89.1 | 151.4 | 157.2 | -74.6 | -80.4 | 0 | 0 | 0 | 109.1 | | |
| 558 | P | 40.7 | Very low | 29.6 | Very low | 124 Ų | 124 | 155.3 Ų | 155.3 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | | | | -131.5 | 158.4 | 124.7 | 36.7 | -29.5 | 0 | 0 | 0 | 112.7 | | |
| 559 | A | 27 | Very low | 29.6 | Very low | 102 Ų | 102 | 153.6 Ų | 153.6 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 132.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 560 | G | 27.1 | Very low | 29.3 | Very low | 77 Ų | 77 | 151 Ų | 151 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 141.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 561 | R | 28.9 | Very low | 30.2 | Very low | 221 Ų | 221 | 149.9 Ų | 149.9 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 134.1 | -175.7 | -85.6 | -172.4 | 173.4 | -159.4 | -1 | 113.5 | | |
| 562 | N | 28 | Very low | 30.2 | Very low | 131 Ų | 131 | 148.7 Ų | 148.7 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | | | trans | 55 | 107.5 | 136.5 | -51 | 13.2 | 0 | 0 | 0 | 119.4 | | |
| 563 | T | 29.4 | Very low | 30.2 | Very low | 153 Ų | 153 | 151.7 Ų | 151.7 | 94% | 0.939 | 80% | 0.799 | S | S | * | * | | | | -155.1 | 146.7 | 124.8 | -1.5 | 0 | 0 | 0 | 0 | 110 | | |
| 564 | W | 29.1 | Very low | 30.3 | Very low | 228 Ų | 228 | 154.1 Ų | 154.1 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | | | trans | -91.7 | 155 | 170.9 | -103.7 | -45.5 | 0 | 0 | 0 | 109.3 | | |
| 565 | D | 26.3 | Very low | 30.3 | Very low | 156 Ų | 156 | 150.4 Ų | 150.4 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | | | | -157 | 174.8 | 124.5 | -123.3 | -37.4 | 0 | 0 | 0 | 112.7 | | |
| 566 | H | 30 | Very low | 30.2 | Very low | 153 Ų | 153 | 151.2 Ų | 151.2 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | | | trans | -134.5 | 152.3 | -179.3 | -85.9 | -1.9 | 0 | 0 | 0 | 112.6 | | |
| 567 | Q | 30.2 | Very low | 30.8 | Very low | 189 Ų | 189 | 149.4 Ų | 149.4 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | | | trans | 69 | 149.9 | -175.2 | -49.6 | 178.3 | -28.5 | 0 | 0 | 111.4 | | |
| 568 | E | 28.4 | Very low | 30.4 | Very low | 160 Ų | 160 | 143.2 Ų | 143.2 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | cis | -150.8 | 168 | 33.8 | -65.2 | -175.3 | 126.4 | 0 | 0 | 113.9 | | |
| 569 | I | 30.3 | Very low | 29.9 | Very low | 147 Ų | 147 | 148 Ų | 148 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | | | trans | 70.4 | 147.4 | 148.3 | -68.9 | 153.5 | 0 | 0 | 0 | 120.1 | | |
| 570 | S | 22.7 | Very low | 29.9 | Very low | 108 Ų | 108 | 150.2 Ų | 150.2 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | trans | -140.3 | 172.6 | 167.1 | -46.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 571 | P | 47 | Very low | 29.8 | Very low | 119 Ų | 119 | 153.9 Ų | 153.9 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | cis | -127 | -127.7 | -1.8 | 40.6 | -19.7 | 0 | 0 | 0 | 108.7 | | |
| 572 | P | 37.5 | Very low | 29.7 | Very low | 99 Ų | 99 | 151.3 Ų | 151.3 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | | | cis | -126 | 157 | -41.6 | 33.8 | -18.1 | 0 | 0 | 0 | 114.2 | | |
| 573 | F | 26.7 | Very low | 29.7 | Very low | 190 Ų | 190 | 152.9 Ų | 152.9 | 83% | 0.833 | 77% | 0.77 | S | S | * | * | | | | -177.8 | 162.1 | 125.7 | -119.8 | -122.7 | 0 | 0 | 0 | 115.3 | | |
| 574 | K | 31.2 | Very low | 29.8 | Very low | 146 Ų | 146 | 153.1 Ų | 153.1 | 64% | 0.635 | 77% | 0.765 | S | S | * | * | | | trans | -32.2 | 158.6 | 157.4 | -80.9 | 172.1 | 158.8 | -76.4 | 0 | 116.8 | | |
| 575 | E | 25.7 | Very low | 30.7 | Very low | 130 Ų | 130 | 147 Ų | 147 | 61% | 0.607 | 75% | 0.754 | S | S | * | * | | | cis | -179 | 126.1 | -3.1 | 171.2 | 168.3 | -143.2 | 0 | 0 | 112.2 | | |
| 576 | H | 26.3 | Very low | 30.7 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | | | trans | 63.1 | 166.8 | 169.1 | -72.9 | 76.9 | 0 | 0 | 0 | 118.2 | | |
| 577 | P | 39.3 | Very low | 31.3 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | | | cis | -125.1 | 165.4 | -11.4 | 38.2 | -24.2 | 0 | 0 | 0 | 115.1 | | |
| 578 | G | 27.5 | Very low | 31 | Very low | 74 Ų | 74 | 138.8 Ų | 138.8 | 76% | 0.763 | 73% | 0.727 | S | S | * | * | | | trans | 129.9 | 99.1 | 147.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 579 | R | 30 | Very low | 31.2 | Very low | 226 Ų | 226 | 138.7 Ų | 138.7 | 85% | 0.853 | 73% | 0.727 | S | S | * | * | | | trans | 36.8 | 130.3 | 148.2 | -69.2 | -172.3 | 174.9 | -166.6 | -1.1 | 122.9 | | |
| 580 | Q | 26.1 | Very low | 31.1 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | | | trans | 70.7 | 145.6 | 154 | -67 | 173.2 | -90.1 | 0 | 0 | 115.5 | | |
| 581 | E | 25.1 | Very low | 31.3 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | | | cis | -153.4 | 179 | 4.7 | -144.5 | 139.4 | -145.2 | 0 | 0 | 112.2 | | |
| 582 | E | 26.1 | Very low | 30.4 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | | | trans | 62.2 | 101.4 | 161.7 | -57.4 | -161.1 | 116.3 | 0 | 0 | 124.2 | | |
| 583 | H | 28.7 | Very low | 29.9 | Very low | 164 Ų | 164 | 141 Ų | 141 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | | | | 63.4 | 128.9 | 120.5 | -69.5 | -57.6 | 0 | 0 | 0 | 127.4 | | |
| 584 | L | 31.7 | Very low | 29.8 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | | | trans | 78.1 | 167.9 | 149.7 | -63.9 | 167.8 | 0 | 0 | 0 | 118.7 | | |
| 585 | P | 47.1 | Very low | 29.5 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | | | cis | -140.3 | -174.4 | 4.2 | 42.8 | -23.5 | 0 | 0 | 0 | 119 | | |
| 586 | H | 27.1 | Very low | 29.4 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | | | trans | 106.2 | 154 | 136.5 | -84 | -2.7 | 0 | 0 | 0 | 125.2 | S852 | H586-S852 PolarHBondContact O-OG 3.37Š|
| 587 | P | 41.6 | Very low | 29.3 | Very low | 62 Ų | 62 | 144.8 Ų | 144.8 | 40% | 0.403 | 76% | 0.755 | S | S | . | * | | | | -146.5 | -164.4 | -127.8 | 47.9 | -27.6 | 0 | 0 | 0 | 118.8 | P854 | P587-P854 HydrophobicContact CB-CG 3.84Å; P587-P854 HydrophobicContact CG-CG 4Å |
| 588 | S | 25.5 | Very low | 29.4 | Very low | 104 Ų | 104 | 144.2 Ų | 144.2 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | trans | 168.8 | 179.9 | 133.5 | 55.9 | 0 | 0 | 0 | 0 | 118.5 | | |
| 589 | H | 32.1 | Very low | 29.2 | Very low | 158 Ų | 158 | 148 Ų | 148 | 73% | 0.731 | 75% | 0.749 | S | S | * | * | | | trans | -85.7 | 171.3 | -148 | -65.2 | -83.8 | 0 | 0 | 0 | 122.8 | | |
| 590 | G | 27.4 | Very low | 28.9 | Very low | 77 Ų | 77 | 147.1 Ų | 147.1 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | | | trans | -179.9 | 148.1 | 157.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 591 | S | 27.5 | Very low | 29.1 | Very low | 116 Ų | 116 | 147 Ų | 147 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | | | trans | -163.1 | 148.6 | -174.4 | 65.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 592 | R | 28.1 | Very low | 29.6 | Very low | 258 Ų | 258 | 144.6 Ų | 144.6 | 97% | 0.974 | 75% | 0.749 | S | S | * | * | | | trans | 173.9 | 169.7 | 158.3 | -91.5 | 145.3 | -166.7 | -171.3 | 4 | 109.1 | | |
| 593 | G | 26.5 | Very low | 29.5 | Very low | 72 Ų | 72 | 147.7 Ų | 147.7 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | | | cis | 130.9 | 135.7 | -4.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 594 | R | 24.5 | Very low | 29.8 | Very low | 226 Ų | 226 | 146.4 Ų | 146.4 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | | | cis | -169.6 | 129 | -9.4 | -134.6 | -154.1 | -177.7 | -151 | 3.3 | 112.1 | | |
| 595 | V | 25.2 | Very low | 30.2 | Very low | 99 Ų | 99 | 143.7 Ų | 143.7 | 60% | 0.6 | 75% | 0.746 | S | S | * | * | | | trans | 46.9 | 157 | 155.4 | -95.6 | 0 | 0 | 0 | 0 | 122.3 | | |
| 596 | F | 24.3 | Very low | 29 | Very low | 184 Ų | 184 | 148.1 Ų | 148.1 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | | | cis | -156.9 | 173.5 | 43.9 | -92.4 | -69.8 | 0 | 0 | 0 | 116.4 | | |
| 597 | Y | 24.6 | Very low | 28.9 | Very low | 209 Ų | 209 | 146.7 Ų | 146.7 | 82% | 0.82 | 74% | 0.744 | S | S | * | * | | | trans | -109.4 | -165.7 | 174 | -86.2 | -91.2 | 0 | 0 | 0 | 110.9 | | |
| 598 | P | 40.8 | Very low | 28.1 | Very low | 114 Ų | 114 | 149.9 Ų | 149.9 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | | | cis | -131.5 | -150.9 | -2.1 | 46.1 | -26.1 | 0 | 0 | 0 | 112.1 | | |
| 599 | E | 23.3 | Very low | 28 | Very low | 155 Ų | 155 | 150 Ų | 150 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | | | cis | -152.3 | -157 | -14.7 | -147.1 | -155.8 | 128.4 | 0 | 0 | 109.1 | | |
| 600 | Y | 24 | Very low | 28.4 | Very low | 206 Ų | 206 | 147.1 Ų | 147.1 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | | | trans | 83.8 | 128.4 | 168.8 | -91.2 | -93.4 | 0 | 0 | 0 | 121.7 | | |
| 601 | N | 30.2 | Very low | 28.3 | Very low | 147 Ų | 147 | 154 Ų | 154 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | | | trans | -114.1 | 177.8 | 171.8 | -73.4 | 1.5 | 0 | 0 | 0 | 107.9 | | |
| 602 | P | 34.9 | Very low | 28.1 | Very low | 103 Ų | 103 | 159.8 Ų | 159.8 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | | | cis | -154.8 | -171.5 | 25 | 46.8 | -25.3 | 0 | 0 | 0 | 119.4 | | |
| 603 | Y | 24 | Very low | 28 | Very low | 230 Ų | 230 | 157.3 Ų | 157.3 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | | | trans | 67.1 | 149.9 | 153.8 | -83 | -72.3 | 0 | 0 | 0 | 122.2 | | |
| 604 | D | 35.8 | Very low | 27.8 | Very low | 138 Ų | 138 | 158.1 Ų | 158.1 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | | | trans | -103.7 | 149.7 | 177.1 | 178.1 | 46 | 0 | 0 | 0 | 109.2 | | |
| 605 | P | 39.1 | Very low | 27.9 | Very low | 102 Ų | 102 | 153.9 Ų | 153.9 | 66% | 0.662 | 74% | 0.74 | S | S | * | * | | | | -162.1 | 165 | 98.3 | 43.7 | -23.4 | 0 | 0 | 0 | 120.1 | | |
| 606 | R | 23.5 | Very low | 27.9 | Very low | 191 Ų | 191 | 157.1 Ų | 157.1 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | | | trans | 73.5 | 127.7 | 131.6 | -82.8 | 169.9 | 165 | -103.6 | -8.1 | 125.5 | | |
| 607 | E | 24.8 | Very low | 28 | Very low | 129 Ų | 129 | 158.9 Ų | 158.9 | 60% | 0.603 | 75% | 0.754 | S | S | * | * | | | | 93.7 | 139.2 | 122.9 | -79.8 | 170 | 145.1 | 0 | 0 | 126.6 | | |
| 608 | N | 25.1 | Very low | 28.1 | Very low | 129 Ų | 129 | 153.7 Ų | 153.7 | 69% | 0.69 | 74% | 0.741 | S | S | * | * | | | trans | 77.6 | 95.4 | 148.7 | -62.6 | -25.3 | 0 | 0 | 0 | 124.1 | | |
| 609 | S | 23 | Very low | 27.4 | Very low | 106 Ų | 106 | 155.6 Ų | 155.6 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | | | | 37.3 | 172.6 | 107.1 | 75.5 | 0 | 0 | 0 | 0 | 122.5 | | |
| 610 | P | 40 | Very low | 27.7 | Very low | 98 Ų | 98 | 156.1 Ų | 156.1 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | | | cis | -135.1 | -175.1 | -27.8 | 24.8 | -0.3 | 0 | 0 | 0 | 115.4 | | |
| 611 | Y | 24.4 | Very low | 27.8 | Very low | 223 Ų | 223 | 153 Ų | 153 | 88% | 0.875 | 73% | 0.732 | S | S | * | * | | | trans | 67.9 | 166.7 | 169.7 | -66.2 | -77.6 | 0 | 0 | 0 | 116.8 | | |
| 612 | R | 24.8 | Very low | 27.5 | Very low | 236 Ų | 236 | 154.1 Ų | 154.1 | 89% | 0.891 | 74% | 0.738 | S | S | * | * | | | cis | -145.6 | 168.4 | 9 | -155.4 | 176.7 | -178.8 | -131.4 | 4.3 | 112 | | |
| 613 | R | 25.3 | Very low | 27.3 | Very low | 206 Ų | 206 | 154 Ų | 154 | 78% | 0.777 | 74% | 0.74 | S | S | * | * | | | trans | -104.6 | 152 | -177.9 | -176.4 | -174.5 | -168.5 | 172 | 4.4 | 112.3 | | |
| 614 | S | 21.6 | Very low | 28.2 | Very low | 89 Ų | 89 | 148.6 Ų | 148.6 | 62% | 0.622 | 73% | 0.733 | S | S | * | * | | | trans | 128.6 | 118 | 141.6 | 77.9 | 0 | 0 | 0 | 0 | 118.9 | | |
| 615 | N | 27.2 | Very low | 27.8 | Very low | 137 Ų | 137 | 147.9 Ų | 147.9 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | | | trans | 40.6 | 133.5 | 130.3 | -48.9 | 10.9 | 0 | 0 | 0 | 122.4 | | |
| 616 | I | 25.5 | Very low | 27.3 | Very low | 168 Ų | 168 | 149.2 Ų | 149.2 | 86% | 0.862 | 74% | 0.736 | S | S | * | * | | | trans | -133.4 | 159.7 | 146.5 | -68 | -173.6 | 0 | 0 | 0 | 108.3 | | |
| 617 | W | 27 | Very low | 27.4 | Very low | 220 Ų | 220 | 148.5 Ų | 148.5 | 83% | 0.833 | 74% | 0.743 | S | S | * | * | | | trans | -127 | 175.5 | -174.7 | -105.1 | 65.7 | 0 | 0 | 0 | 111.1 | | |
| 618 | D | 26.8 | Very low | 27.5 | Very low | 101 Ų | 101 | 145.8 Ų | 145.8 | 54% | 0.54 | 75% | 0.749 | S | S | . | * | | | trans | 66 | 159.9 | 173.5 | -71.3 | -6.6 | 0 | 0 | 0 | 115.3 | R620 | D618-R620 IonicContact OD1-NH2 3.75Å; D618-R620 IonicContact OD2-CZ 3.63Å; D618-R620 IonicContact OD2-NE 3.93Å; D618-R620 IonicContact OD2-NH2 2.68Å; D618-R620 PolarHBondContact OD2-NH2 3.34Å |
| 619 | E | 26.1 | Very low | 27.6 | Very low | 154 Ų | 154 | 148.2 Ų | 148.2 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | | | cis | -143.4 | 133.9 | 19.5 | -166.4 | 140.6 | -130.2 | 0 | 0 | 113 | | |
| 620 | R | 28 | Very low | 27.8 | Very low | 166 Ų | 166 | 150.5 Ų | 150.5 | 63% | 0.626 | 75% | 0.753 | S | S | * | * | | | trans | 27.4 | 157.8 | 130 | -48.4 | 166.1 | -146.5 | -80.1 | -11.7 | 120 | D618 | D618-R620 IonicContact OD1-NH2 3.75Å; D618-R620 IonicContact OD2-CZ 3.63Å; D618-R620 IonicContact OD2-NE 3.93Å; D618-R620 IonicContact OD2-NH2 2.68Å; D618-R620 PolarHBondContact OD2-NH2 3.34Å |
| 621 | D | 26.7 | Very low | 27.1 | Very low | 139 Ų | 139 | 153.5 Ų | 153.5 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | | | cis | -149.8 | 151.2 | 32.1 | -96.4 | -54 | 0 | 0 | 0 | 113.1 | | |
| 622 | D | 24.9 | Very low | 27.3 | Very low | 172 Ų | 172 | 148.7 Ų | 148.7 | 92% | 0.92 | 76% | 0.758 | S | S | * | * | | | trans | -167.7 | 108.8 | 142.2 | -125.4 | -20.7 | 0 | 0 | 0 | 111.3 | | |
| 623 | S | 29.9 | Very low | 27.3 | Very low | 101 Ų | 101 | 142.5 Ų | 142.5 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | | | trans | -167.8 | 153.9 | 172 | 80.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 624 | P | 43.2 | Very low | 27.4 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | | | | -132.8 | -157.7 | 55.3 | 40.1 | -21.1 | 0 | 0 | 0 | 111.2 | | |
| 625 | N | 27.7 | Very low | 27.4 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 66% | 0.658 | 77% | 0.768 | S | S | * | * | | | cis | -152.2 | 158.9 | 6.8 | -144.2 | -9.3 | 0 | 0 | 0 | 108.3 | | |
| 626 | T | 27.5 | Very low | 28.2 | Very low | 130 Ų | 130 | 145.8 Ų | 145.8 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | | | | -164.4 | 151.1 | 74.8 | -60.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 627 | M | 26.7 | Very low | 28.1 | Very low | 176 Ų | 176 | 145 Ų | 145 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | | | trans | -64.9 | 161.3 | -176.9 | -67.3 | 177.4 | 177.7 | 0 | 0 | 114.2 | | |
| 628 | G | 26.6 | Very low | 28 | Very low | 72 Ų | 72 | 141.2 Ų | 141.2 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | | | cis | -164.8 | -158.2 | 15.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 629 | Q | 26.2 | Very low | 28.3 | Very low | 179 Ų | 179 | 142.7 Ų | 142.7 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | | | trans | -70.6 | 146.2 | -164.7 | -70.7 | 175.2 | -16.8 | 0 | 0 | 113.4 | | |
| 630 | K | 27.1 | Very low | 29 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | | | cis | 77.4 | 98.3 | 42 | 179.6 | -111.8 | 179 | -165.6 | 0 | 113.5 | | |
| 631 | E | 26.4 | Very low | 28.8 | Very low | 161 Ų | 161 | 139.5 Ų | 139.5 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | | | | -170.6 | 161 | 123.5 | -107.2 | 157.9 | -154.3 | 0 | 0 | 113.4 | | |
| 632 | S | 28.8 | Very low | 29 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | trans | -128.5 | 121.9 | -172.5 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 633 | S | 24 | Very low | 29.3 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | trans | -159.9 | 121.3 | 172.2 | 60.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 634 | L | 27.6 | Very low | 29.2 | Very low | 172 Ų | 172 | 143 Ų | 143 | 90% | 0.901 | 77% | 0.77 | S | S | * | * | | | trans | 63.8 | 142.1 | 142.4 | -53.6 | 172 | 0 | 0 | 0 | 120.8 | | |
| 635 | Y | 21.5 | Very low | 28.4 | Very low | 223 Ų | 223 | 144 Ų | 144 | 88% | 0.875 | 77% | 0.773 | S | S | * | * | | | trans | -64 | 178.9 | 170.2 | -70.4 | -85.6 | 0 | 0 | 0 | 113.7 | | |
| 636 | P | 43.2 | Very low | 28.6 | Very low | 106 Ų | 106 | 144.2 Ų | 144.2 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | | | cis | -130.9 | -179.3 | -44.2 | 37.8 | -23.6 | 0 | 0 | 0 | 111.3 | | |
| 637 | I | 23.7 | Very low | 29.5 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | | | trans | -171.4 | 137.9 | 146.6 | -109.3 | 158.2 | 0 | 0 | 0 | 117 | | |
| 638 | N | 26.3 | Very low | 29.5 | Very low | 141 Ų | 141 | 145.2 Ų | 145.2 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | | | trans | 42.5 | 131.1 | 150.8 | -52.3 | -9 | 0 | 0 | 0 | 126.1 | | |
| 639 | T | 32.7 | Very low | 30 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | trans | -62.4 | 159.9 | 146.9 | 3.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 640 | P | 39.7 | Very low | 30.5 | Very low | 112 Ų | 112 | 148.1 Ų | 148.1 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | | -142.6 | -165.2 | 75.2 | 42.7 | -23.7 | 0 | 0 | 0 | 112.5 | | |
| 641 | D | 25.4 | Very low | 30.9 | Very low | 142 Ų | 142 | 149 Ų | 149 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | | | cis | -152.4 | 177.8 | 8.5 | -146.8 | -26.6 | 0 | 0 | 0 | 112.6 | | |
| 642 | H | 30.2 | Very low | 31.3 | Very low | 166 Ų | 166 | 148.9 Ų | 148.9 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | trans | -80.3 | 164.2 | -175.9 | -68.5 | -100.8 | 0 | 0 | 0 | 115.8 | | |
| 643 | K | 30.5 | Very low | 32.1 | Very low | 174 Ų | 174 | 148.5 Ų | 148.5 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | | | | 178.8 | 150.8 | 108.8 | -94.7 | 169 | 163 | -81.8 | 0 | 116.4 | | |
| 644 | E | 27.4 | Very low | 32.4 | Very low | 146 Ų | 146 | 151 Ų | 151 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | | | trans | 19.3 | 139.1 | 150.7 | -65.9 | 148.9 | 123.4 | 0 | 0 | 120.3 | | |
| 645 | T | 28.1 | Very low | 33.3 | Very low | 135 Ų | 135 | 149.6 Ų | 149.6 | 83% | 0.828 | 77% | 0.773 | S | S | * | * | | | | -161.8 | 159.9 | 63.8 | -55.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 646 | V | 30.8 | Very low | 34.2 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | -150.7 | 163.2 | -173.3 | -176.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 647 | P | 47.1 | Very low | 33.8 | Very low | 98 Ų | 98 | 144.3 Ų | 144.3 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | | | cis | -115.2 | -158.7 | -40.3 | 39.1 | -23.2 | 0 | 0 | 0 | 110.8 | | |
| 648 | Y | 26.3 | Very low | 34.1 | Very low | 229 Ų | 229 | 140.7 Ų | 140.7 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | | | trans | -154.9 | 147.8 | 131.1 | -118.4 | -79.3 | 0 | 0 | 0 | 111.4 | | |
| 649 | N | 37 | Very low | 34.2 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 60% | 0.599 | 76% | 0.762 | S | S | * | * | | | trans | -113.7 | 157 | 176.9 | -63 | -1.6 | 0 | 0 | 0 | 110.6 | | |
| 650 | E | 35.8 | Very low | 34.2 | Very low | 201 Ų | 201 | 142.7 Ų | 142.7 | 94% | 0.939 | 77% | 0.765 | S | S | * | * | | | trans | -136.3 | 155.6 | 144.9 | -70.2 | -166.7 | 143.9 | 0 | 0 | 108.2 | | |
| 651 | E | 36.2 | Very low | 33.6 | Very low | 171 Ų | 171 | 143 Ų | 143 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | | | trans | -126.8 | 165.3 | -158.1 | -66.1 | 170.7 | 142 | 0 | 0 | 113.7 | | |
| 652 | D | 35.9 | Very low | 34 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | | | trans | -55.5 | 165.7 | -176.3 | -55.4 | -56 | 0 | 0 | 0 | 114.8 | | |
| 653 | P | 45.3 | Very low | 34.8 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | | | | -159.8 | 175.5 | 91 | 40.6 | -19.5 | 0 | 0 | 0 | 119.5 | | |
| 654 | I | 30 | Very low | 34.7 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | | | trans | 106.4 | 124.2 | 153.4 | -56.8 | 170.2 | 0 | 0 | 0 | 118.7 | | |
| 655 | D | 46 | Very low | 34.7 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | | | trans | -134.7 | 140.8 | 164.7 | 162.6 | 47.5 | 0 | 0 | 0 | 108.4 | | |
| 656 | P | 40.6 | Very low | 34.6 | Very low | 101 Ų | 101 | 139 Ų | 139 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | | | trans | -145.9 | 113.1 | 153.3 | 34 | -14.5 | 0 | 0 | 0 | 116.4 | | |
| 657 | T | 34.9 | Very low | 34.5 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 71% | 0.712 | 76% | 0.764 | S | S | * | * | | | | 56.7 | 140.5 | 122.5 | -46.3 | 0 | 0 | 0 | 0 | 122.1 | D659 | T657-D659 VanDerWaalsContact CG2-OD1 3.24Å; T657-D659 WeakPolarHBondContact CG2-OD1 3.49Å |
| 658 | G | 29 | Very low | 33.6 | Very low | 77 Ų | 77 | 148.3 Ų | 148.3 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | | | trans | -164.1 | 42.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 659 | D | 30.1 | Very low | 33.7 | Very low | 131 Ų | 131 | 140.7 Ų | 140.7 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | trans | 24.9 | 122.3 | 154.6 | -50.9 | -18.2 | 0 | 0 | 0 | 124.8 | T657 | T657-D659 VanDerWaalsContact CG2-OD1 3.24Å; T657-D659 WeakPolarHBondContact CG2-OD1 3.49Å |
| 660 | E | 32.4 | Very low | 33.3 | Very low | 183 Ų | 183 | 144 Ų | 144 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | | | trans | 50.9 | 168.8 | 133.4 | -50 | -158.5 | 151.8 | 0 | 0 | 121.8 | | |
| 661 | V | 27.6 | Very low | 32.9 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | | | cis | -157.3 | 161.3 | 34.2 | 174.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 662 | F | 32.8 | Very low | 32.5 | Very low | 194 Ų | 194 | 140.8 Ų | 140.8 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | | | trans | -134.3 | 177 | 173.6 | -69.5 | -88.6 | 0 | 0 | 0 | 111.5 | | |
| 663 | P | 46.2 | Very low | 32 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | | | cis | -122.6 | -158 | 0.1 | 45.4 | -29.5 | 0 | 0 | 0 | 112.1 | | |
| 664 | G | 28.7 | Very low | 31.2 | Very low | 68 Ų | 68 | 141.3 Ų | 141.3 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | cis | 118.6 | 115.4 | -6.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 665 | Q | 28.5 | Very low | 31.3 | Very low | 173 Ų | 173 | 142.8 Ų | 142.8 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | | | trans | -156.8 | 149.7 | -177.6 | -121.9 | -169.5 | -3.4 | 0 | 0 | 117.6 | | |
| 666 | N | 25.7 | Very low | 30.4 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 63% | 0.631 | 76% | 0.758 | S | S | * | * | | | trans | 60.9 | 171.5 | 149.1 | -64.2 | -19.9 | 0 | 0 | 0 | 122.6 | | |
| 667 | R | 29.5 | Very low | 29.7 | Very low | 201 Ų | 201 | 137.9 Ų | 137.9 | 76% | 0.758 | 76% | 0.764 | S | S | * | * | | | | -172.5 | 132.4 | -66.4 | -114.1 | -162.5 | 177 | -149.8 | 4.6 | 111 | | |
| 668 | W | 27.4 | Very low | 30 | Very low | 221 Ų | 221 | 137.9 Ų | 137.9 | 84% | 0.837 | 77% | 0.765 | S | S | * | * | | | trans | 64.2 | 163.6 | 164.8 | -62.6 | 56 | 0 | 0 | 0 | 115.4 | | |
| 669 | G | 27.3 | Very low | 29.9 | Very low | 69 Ų | 69 | 140.4 Ų | 140.4 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | cis | -159.8 | 179.8 | 0.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 670 | E | 28.9 | Very low | 30.1 | Very low | 182 Ų | 182 | 139.8 Ų | 139.8 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | | | trans | -91.7 | 145.7 | -170.8 | -56.2 | 151.5 | 106.1 | 0 | 0 | 114.3 | | |
| 671 | E | 27 | Very low | 29.9 | Very low | 178 Ų | 178 | 140.9 Ų | 140.9 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | | | trans | -160.7 | 147.4 | 146.9 | -78.9 | -153.3 | 138.1 | 0 | 0 | 107.3 | | |
| 672 | L | 28.4 | Very low | 30.1 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | | | cis | -159.1 | 156.4 | -6.2 | -119.6 | 171.4 | 0 | 0 | 0 | 110.1 | | |
| 673 | S | 26.7 | Very low | 30.5 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | trans | 71.3 | 146.7 | 158.8 | 86.2 | 0 | 0 | 0 | 0 | 119 | | |
| 674 | F | 27.4 | Very low | 29.6 | Very low | 183 Ų | 183 | 146.3 Ų | 146.3 | 80% | 0.803 | 76% | 0.764 | S | S | * | * | | | cis | -159.5 | 156.9 | -27 | -136.7 | -88.2 | 0 | 0 | 0 | 108.7 | | |
| 675 | K | 31.8 | Very low | 29.4 | Very low | 187 Ų | 187 | 146.1 Ų | 146.1 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | | | trans | 69.8 | 123.2 | -176.8 | -51.6 | -77.8 | -172.8 | 171.8 | 0 | 113.4 | | |
| 676 | G | 27.7 | Very low | 29.4 | Very low | 68 Ų | 68 | 147 Ų | 147 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | | | cis | 70.4 | 102.3 | 5.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 677 | G | 26.2 | Very low | 29.5 | Very low | 74 Ų | 74 | 150.3 Ų | 150.3 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | | | cis | 96.5 | 167.5 | 29.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 678 | P | 40.7 | Very low | 29.2 | Very low | 115 Ų | 115 | 151.6 Ų | 151.6 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | | | cis | -134.2 | 165.6 | -1.1 | 42.5 | -26.8 | 0 | 0 | 0 | 115.8 | | |
| 679 | T | 27.8 | Very low | 29.1 | Very low | 131 Ų | 131 | 145.9 Ų | 145.9 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | 72.3 | 160.7 | 156.7 | -36.8 | 0 | 0 | 0 | 0 | 118.4 | | |
| 680 | V | 32.6 | Very low | 29.2 | Very low | 117 Ų | 117 | 147.4 Ų | 147.4 | 71% | 0.709 | 78% | 0.783 | S | S | * | * | | | trans | 76.6 | 94.3 | 173.7 | -172.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 681 | R | 29.7 | Very low | 29.2 | Very low | 206 Ų | 206 | 146.5 Ų | 146.5 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | S | Bend | cis | -150 | 164.5 | 9.3 | -58.7 | -176.1 | 179.4 | -169 | -3.4 | 112.7 | | |
| 682 | H | 30.7 | Very low | 29.4 | Very low | 160 Ų | 160 | 145.3 Ų | 145.3 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | trans | 78.4 | 157.7 | 167.5 | -50.9 | -73.5 | 0 | 0 | 0 | 117.3 | | |
| 683 | Y | 41.3 | Very low | 29.8 | Very low | 229 Ų | 229 | 144.1 Ų | 144.1 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | | | trans | 80.2 | 45.4 | 175.7 | -64.1 | -77.6 | 0 | 0 | 0 | 119.8 | | |
| 684 | E | 27.1 | Very low | 30.7 | Very low | 163 Ų | 163 | 148.8 Ų | 148.8 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | trans | -155.3 | 144.4 | 142.7 | -132.6 | 163.4 | -144 | 0 | 0 | 105.9 | Q960 | E684-Q960 PolarHBondContact OE1-NE2 3.19Š|
| 685 | G | 25.7 | Very low | 30.8 | Very low | 63 Ų | 63 | 146.6 Ų | 146.6 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | | | cis | -165.5 | 174.3 | -8.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 686 | E | 28.2 | Very low | 30.5 | Very low | 191 Ų | 191 | 146.1 Ų | 146.1 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | | | trans | 51.2 | 99.2 | 169.5 | -57.4 | -165.9 | 145.6 | 0 | 0 | 120.3 | | |
| 687 | Q | 26.7 | Very low | 31.7 | Very low | 188 Ų | 188 | 146.9 Ų | 146.9 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | | | | -162.8 | 120.9 | 127.9 | -104.6 | 158.1 | 41.9 | 0 | 0 | 107.1 | | |
| 688 | Y | 24.6 | Very low | 32.2 | Very low | 229 Ų | 229 | 149 Ų | 149 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | | | | 55.2 | 118.2 | 77.5 | -103.4 | -78 | 0 | 0 | 0 | 114.9 | | |
| 689 | A | 25.4 | Very low | 31.6 | Very low | 100 Ų | 100 | 152.5 Ų | 152.5 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | | | trans | 72.4 | 150.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 690 | S | 28.7 | Very low | 31.5 | Very low | 102 Ų | 102 | 151.2 Ų | 151.2 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | | | trans | 62.3 | 109.9 | 172.5 | -165.7 | 0 | 0 | 0 | 0 | 119.1 | | |
| 691 | N | 29.2 | Very low | 31.4 | Very low | 162 Ų | 162 | 152.2 Ų | 152.2 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | | | | -170.3 | 78.1 | 124.9 | -91.2 | -26.3 | 0 | 0 | 0 | 111.8 | | |
| 692 | Q | 31.8 | Very low | 31.4 | Very low | 154 Ų | 154 | 148.6 Ų | 148.6 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | | | trans | -74.3 | 160 | 137.5 | -82.2 | -85.7 | 20.1 | 0 | 0 | 107.3 | | |
| 693 | P | 36.2 | Very low | 31.6 | Very low | 100 Ų | 100 | 148.4 Ų | 148.4 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | | | cis | -110.5 | 154.5 | 19.1 | 38.8 | -31.6 | 0 | 0 | 0 | 115.8 | E695 | P693-E695 HydrophobicContact CB-CB 4.37Š|
| 694 | K | 45 | Very low | 31.5 | Very low | 202 Ų | 202 | 142.6 Ų | 142.6 | 88% | 0.878 | 75% | 0.752 | S | S | * | * | | | trans | -111.7 | 62.3 | 151.3 | -85.9 | -166.9 | 172.2 | -175.3 | 0 | 110.8 | | |
| 695 | E | 30.9 | Very low | 31.5 | Very low | 138 Ų | 138 | 139 Ų | 139 | 65% | 0.645 | 75% | 0.745 | S | S | * | * | | | trans | -140.1 | 148.1 | 174.8 | -67.1 | -166.5 | 157.6 | 0 | 0 | 107.6 | P693 | P693-E695 HydrophobicContact CB-CB 4.37Š|
| 696 | Y | 25.3 | Very low | 31.8 | Very low | 177 Ų | 177 | 144.9 Ų | 144.9 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | | | cis | -154.9 | -172.2 | -14.9 | -113 | -36.1 | 0 | 0 | 0 | 107.8 | | |
| 697 | P | 52.1 | Low | 32.1 | Very low | 83 Ų | 83 | 141.6 Ų | 141.6 | 54% | 0.539 | 75% | 0.748 | S | S | . | * | | | trans | -103.6 | -137.9 | -164.6 | 31.5 | -9.7 | 0 | 0 | 0 | 111.2 | Y699 | P697-Y699 HydrophobicContact CG-CD2 3.62Å; P697-Y699 HydrophobicContact CG-CG 4.24Å |
| 698 | P | 37.4 | Very low | 32.2 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | | | | -128.4 | 143.8 | 84.5 | 39.4 | -31 | 0 | 0 | 0 | 111.3 | | |
| 699 | Y | 28.2 | Very low | 32.6 | Very low | 188 Ų | 188 | 138.7 Ų | 138.7 | 74% | 0.737 | 74% | 0.735 | S | S | * | * | | | cis | 60.5 | 151.2 | 47.6 | -102.8 | -57.3 | 0 | 0 | 0 | 114.9 | P697 | P697-Y699 HydrophobicContact CG-CD2 3.62Å; P697-Y699 HydrophobicContact CG-CG 4.24Å |
| 700 | S | 25.2 | Very low | 32.7 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 72% | 0.72 | 72% | 0.721 | S | S | * | * | | | trans | 77.8 | 140.8 | -175.6 | -57.5 | 0 | 0 | 0 | 0 | 115 | | |
| 701 | L | 30 | Very low | 32.7 | Very low | 138 Ų | 138 | 142 Ų | 142 | 72% | 0.723 | 72% | 0.723 | S | S | * | * | | | cis | -146.7 | 151.1 | 3.9 | -150.4 | 77.5 | 0 | 0 | 0 | 111.7 | | |
| 702 | D | 30.4 | Very low | 32.8 | Very low | 131 Ų | 131 | 145.4 Ų | 145.4 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | | | trans | 39.9 | 119.8 | 151.3 | -62.5 | -9.3 | 0 | 0 | 0 | 122.5 | | |
| 703 | N | 33.4 | Very low | 32.5 | Very low | 156 Ų | 156 | 147.3 Ų | 147.3 | 83% | 0.834 | 73% | 0.727 | S | S | * | * | | | trans | -55 | 142.5 | 138.1 | -108.3 | -44.5 | 0 | 0 | 0 | 109 | | |
| 704 | P | 39.6 | Very low | 32.1 | Very low | 106 Ų | 106 | 147.3 Ų | 147.3 | 69% | 0.688 | 73% | 0.729 | S | S | * | * | | | | -156.5 | 153.5 | 82.6 | 41.5 | -23 | 0 | 0 | 0 | 119 | | |
| 705 | S | 27.8 | Very low | 31.3 | Very low | 89 Ų | 89 | 145.1 Ų | 145.1 | 62% | 0.622 | 72% | 0.722 | S | S | * | * | | | trans | 53.6 | 120.2 | 136.8 | 70.9 | 0 | 0 | 0 | 0 | 123 | | |
| 706 | K | 31.8 | Very low | 31.2 | Very low | 186 Ų | 186 | 146.7 Ų | 146.7 | 81% | 0.809 | 73% | 0.727 | S | S | * | * | | | trans | 64.9 | 123.4 | 141.3 | -62.2 | 174.9 | 179.5 | 178.2 | 0 | 119.4 | | |
| 707 | P | 34.1 | Very low | 31.2 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 79% | 0.792 | 72% | 0.72 | S | S | * | * | | | trans | -76.8 | 134 | 145.7 | 33 | -30 | 0 | 0 | 0 | 109.8 | | |
| 708 | R | 29.4 | Very low | 30.7 | Very low | 181 Ų | 181 | 145 Ų | 145 | 68% | 0.683 | 72% | 0.721 | S | S | * | * | | | trans | -164.3 | 56.6 | 165 | -149.8 | -175.1 | -160.5 | -86.4 | -2.2 | 112.8 | D710 | R708-D710 IonicContact CZ-OD1 2.99Å; R708-D710 IonicContact CZ-OD2 2.79Å; R708-D710 VanDerWaalsContact NH1-CG 3.31Å; R708-D710 IonicContact NH1-OD1 3.98Å; R708-D710 PolarHBondContact NH1-OD1 2.84Å; R708-D710 IonicContact NH1-OD2 3.98Å; R708-D710 PolarHBondContact NH1-OD2 3.4Å; R708-D710 PolarHBondContact O-N 3.06Å |
| 709 | E | 31.9 | Very low | 30.4 | Very low | 175 Ų | 175 | 151.5 Ų | 151.5 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | | | trans | -68.7 | 107.3 | 159.8 | -73.8 | 65.5 | -150.3 | 0 | 0 | 109 | | |
| 710 | D | 29 | Very low | 30.4 | Very low | 99 Ų | 99 | 149.8 Ų | 149.8 | 53% | 0.529 | 73% | 0.734 | S | S | . | * | | | trans | -75.5 | 154 | 163.2 | -69.1 | -75 | 0 | 0 | 0 | 109.7 | R708 | R708-D710 IonicContact CZ-OD1 2.99Å; R708-D710 IonicContact CZ-OD2 2.79Å; R708-D710 VanDerWaalsContact NH1-CG 3.31Å; R708-D710 IonicContact NH1-OD1 3.98Å; R708-D710 PolarHBondContact NH1-OD1 2.84Å; R708-D710 IonicContact NH1-OD2 3.98Å; R708-D710 PolarHBondContact NH1-OD2 3.4Å; R708-D710 PolarHBondContact O-N 3.06Å |
| 711 | F | 28.7 | Very low | 31.1 | Very low | 171 Ų | 171 | 149.6 Ų | 149.6 | 75% | 0.75 | 73% | 0.73 | S | S | * | * | | | trans | -43.8 | 151.8 | -168.8 | -55.4 | -99.1 | 0 | 0 | 0 | 119.1 | Y713 | F711-Y713 HydrophobicContact CD1-CD2 4.35Å; F711-Y713 HydrophobicContact CD1-CE2 4.3Å |
| 712 | Y | 29.8 | Very low | 31.2 | Very low | 234 Ų | 234 | 149.4 Ų | 149.4 | 92% | 0.918 | 73% | 0.73 | S | S | * | * | | | trans | -119.8 | 142.4 | 145.5 | -78.1 | -83.5 | 0 | 0 | 0 | 110.9 | | |
| 713 | Y | 26.5 | Very low | 31.3 | Very low | 195 Ų | 195 | 150.7 Ų | 150.7 | 77% | 0.765 | 73% | 0.732 | S | S | * | * | | | trans | -144.6 | 150.8 | -178.5 | -113.8 | -85.6 | 0 | 0 | 0 | 108 | F711 | F711-Y713 HydrophobicContact CD1-CD2 4.35Å; F711-Y713 HydrophobicContact CD1-CE2 4.3Å |
| 714 | S | 27.8 | Very low | 31.1 | Very low | 99 Ų | 99 | 148.5 Ų | 148.5 | 69% | 0.692 | 72% | 0.72 | S | S | * | * | | | trans | 60.8 | 158.7 | 167.3 | 56.6 | 0 | 0 | 0 | 0 | 116.9 | | |
| 715 | E | 28.3 | Very low | 30.5 | Very low | 156 Ų | 156 | 152.3 Ų | 152.3 | 73% | 0.729 | 73% | 0.726 | S | S | * | * | | | cis | -169.8 | 169.7 | -12.9 | -104.6 | 161 | -141.8 | 0 | 0 | 106.6 | | |
| 716 | F | 28.8 | Very low | 30.6 | Very low | 172 Ų | 172 | 153 Ų | 153 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | | | cis | -158.6 | 155.1 | 0.5 | -130.2 | -53.2 | 0 | 0 | 0 | 108.9 | | |
| 717 | Y | 25.5 | Very low | 30.4 | Very low | 138 Ų | 138 | 148.6 Ų | 148.6 | 54% | 0.541 | 72% | 0.721 | S | S | . | * | S | Bend | trans | -92.7 | 146.5 | 153.2 | -96.2 | -87.5 | 0 | 0 | 0 | 109.4 | E1014 | Y717-E1014 PolarHBondContact OH-OE1 3.09Š|
| 718 | P | 41.8 | Very low | 30.2 | Very low | 86 Ų | 86 | 153.6 Ų | 153.6 | 56% | 0.558 | 73% | 0.725 | S | S | * | * | | | cis | -144.5 | 110.4 | -39.1 | 35.5 | -16 | 0 | 0 | 0 | 113.4 | | |
| 719 | W | 29.7 | Very low | 30.2 | Very low | 257 Ų | 257 | 151.3 Ų | 151.3 | 97% | 0.973 | 73% | 0.727 | S | S | * | * | | | trans | -143.6 | 105.9 | 162.9 | -79.5 | 104.5 | 0 | 0 | 0 | 112.8 | | |
| 720 | N | 28.6 | Very low | 30.1 | Very low | 151 Ų | 151 | 149 Ų | 149 | 81% | 0.807 | 73% | 0.725 | S | S | * | * | | | trans | -80.1 | 169.9 | 162.1 | -104.1 | -35.9 | 0 | 0 | 0 | 109.6 | | |
| 721 | P | 41 | Very low | 30 | Very low | 99 Ų | 99 | 148.5 Ų | 148.5 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | | | cis | -144.3 | -158.2 | 33.2 | 40.3 | -17.4 | 0 | 0 | 0 | 116.3 | | |
| 722 | D | 31.7 | Very low | 30.4 | Very low | 135 Ų | 135 | 145.8 Ų | 145.8 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | | | trans | 87.8 | 72.8 | 159.8 | -57.1 | -13.5 | 0 | 0 | 0 | 119.1 | | |
| 723 | E | 31.1 | Very low | 30.3 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | | | | 35 | 131.7 | 124.3 | -51.5 | -179.1 | 165.2 | 0 | 0 | 120.8 | | |
| 724 | N | 30.3 | Very low | 30.3 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 58% | 0.583 | 73% | 0.726 | S | S | * | * | | | | 179 | 139.2 | 91.4 | -101.1 | -69.5 | 0 | 0 | 0 | 117.6 | | |
| 725 | F | 26.5 | Very low | 30.1 | Very low | 187 Ų | 187 | 138.7 Ų | 138.7 | 82% | 0.82 | 73% | 0.726 | S | S | * | * | | | trans | 66.9 | 143.1 | 160.1 | -60.3 | -58.3 | 0 | 0 | 0 | 123.6 | | |
| 726 | P | 30.9 | Very low | 30.2 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | | | trans | -121.6 | 173.1 | -171.4 | 44.5 | -32.8 | 0 | 0 | 0 | 117.1 | | |
| 727 | S | 27.1 | Very low | 30.3 | Very low | 92 Ų | 92 | 134.5 Ų | 134.5 | 64% | 0.643 | 73% | 0.73 | S | S | * | * | | | trans | 51.2 | 111.1 | 143.3 | 67.5 | 0 | 0 | 0 | 0 | 121.8 | | |
| 728 | Y | 28.9 | Very low | 30.5 | Very low | 227 Ų | 227 | 134.5 Ų | 134.5 | 89% | 0.89 | 74% | 0.744 | S | S | * | * | | | trans | -166.1 | 148.3 | 135.6 | -74.7 | -54.9 | 0 | 0 | 0 | 109 | | |
| 729 | N | 30.3 | Very low | 29.8 | Very low | 134 Ų | 134 | 139.9 Ų | 139.9 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | | | cis | -163.1 | 164.8 | -32.3 | -152.3 | -7.3 | 0 | 0 | 0 | 108.8 | | |
| 730 | T | 30.6 | Very low | 29.7 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | | | trans | 58.6 | 116.9 | 164.9 | 30.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 731 | A | 26.5 | Very low | 29.7 | Very low | 89 Ų | 89 | 136.8 Ų | 136.8 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | | | trans | -79 | -173.5 | 146 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 732 | P | 35.7 | Very low | 28.9 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | | | cis | -136.7 | -166.7 | 1.2 | 39.6 | -18.6 | 0 | 0 | 0 | 114.7 | | |
| 733 | T | 27.9 | Very low | 28.6 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 71% | 0.712 | 76% | 0.758 | S | S | * | * | | | trans | 70.3 | 104.4 | 156.1 | -48.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 734 | M | 26.8 | Very low | 28.3 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | | | | 179.8 | 139.4 | 124.5 | -92 | -87.6 | 79.6 | 0 | 0 | 108.8 | | |
| 735 | S | 23.4 | Very low | 28.1 | Very low | 99 Ų | 99 | 140.9 Ų | 140.9 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 131.5 | 175.8 | 38.4 | 0 | 0 | 0 | 0 | 111.1 | P737 | S735-P737 WeakPolarHBondContact O-CD 3.46Š|
| 736 | P | 30.2 | Very low | 28.1 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 122.9 | 171.4 | 30.2 | -31.5 | 0 | 0 | 0 | 110.3 | | |
| 737 | P | 31.7 | Very low | 27.9 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 152.9 | 163.4 | 31.8 | -33.5 | 0 | 0 | 0 | 110.5 | S735 E739 | S735-P737 WeakPolarHBondContact O-CD 3.46Å; P737-E739 PolarHBondContact O-N 2.84Å |
| 738 | T | 29.5 | Very low | 27.9 | Very low | 137 Ų | 137 | 141.7 Ų | 141.7 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | | | trans | -29.1 | 122 | 174.6 | -52.1 | 0 | 0 | 0 | 0 | 116.7 | | |
| 739 | E | 27.8 | Very low | 27.8 | Very low | 200 Ų | 200 | 136.6 Ų | 136.6 | 94% | 0.935 | 77% | 0.77 | S | S | * | * | | | trans | -127.1 | 122.7 | 149.3 | -77.5 | -153.2 | 148.7 | 0 | 0 | 111.4 | P737 | P737-E739 PolarHBondContact O-N 2.84Š|
| 740 | S | 26.4 | Very low | 27.5 | Very low | 102 Ų | 102 | 141 Ų | 141 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | | | trans | -143.2 | 105.1 | 167.1 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 741 | R | 28.7 | Very low | 27.7 | Very low | 240 Ų | 240 | 139.3 Ų | 139.3 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | | | trans | 68.8 | 100 | 174.9 | -56.4 | -178.9 | 175.2 | -170.7 | -2.1 | 117.6 | | |
| 742 | G | 25.4 | Very low | 27.8 | Very low | 60 Ų | 60 | 143 Ų | 143 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | | | trans | -67.4 | 174.3 | 137.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 743 | Y | 25.4 | Very low | 27.5 | Very low | 211 Ų | 211 | 146.2 Ų | 146.2 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | | | cis | -149 | 134.3 | 15.1 | -70.6 | -103.5 | 0 | 0 | 0 | 111 | | |
| 744 | Y | 25.2 | Very low | 27.3 | Very low | 217 Ų | 217 | 145.3 Ų | 145.3 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | | | | -162.6 | 141.7 | 102.4 | -122.3 | -87.4 | 0 | 0 | 0 | 110.3 | | |
| 745 | V | 26.2 | Very low | 27.2 | Very low | 100 Ų | 100 | 144.2 Ų | 144.2 | 61% | 0.606 | 77% | 0.771 | S | S | * | * | | | trans | -121.5 | 142.4 | 179.4 | 172.1 | 0 | 0 | 0 | 0 | 108.7 | N747 | V745-N747 WeakPolarHBondContact CG1-OD1 3.34Š|
| 746 | N | 24.8 | Very low | 27.4 | Very low | 170 Ų | 170 | 147 Ų | 147 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | | | trans | -141.6 | 125.2 | 157.5 | -125.3 | -10.2 | 0 | 0 | 0 | 108.2 | | |
| 747 | N | 28.4 | Very low | 27.2 | Very low | 135 Ų | 135 | 151.1 Ų | 151.1 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | | | trans | -113.1 | 136.2 | -165 | -82.2 | -19.9 | 0 | 0 | 0 | 113.1 | V745 V749 | V745-N747 WeakPolarHBondContact CG1-OD1 3.34Å; N747-V749 HydrophobicContact CB-CG2 4.48Å |
| 748 | A | 25.2 | Very low | 27.2 | Very low | 95 Ų | 95 | 150.8 Ų | 150.8 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | trans | -148.4 | 125.2 | 144.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 749 | V | 27.1 | Very low | 26.9 | Very low | 119 Ų | 119 | 149.1 Ų | 149.1 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | | | cis | 72.9 | 114.3 | 34.9 | -172.6 | 0 | 0 | 0 | 0 | 109.5 | N747 | N747-V749 HydrophobicContact CB-CG2 4.48Š|
| 750 | R | 23.9 | Very low | 26.7 | Very low | 226 Ų | 226 | 150.9 Ų | 150.9 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | cis | -156.3 | -151.8 | 13.8 | -145.9 | -175.2 | -179.7 | 156.7 | 0.1 | 112.8 | | |
| 751 | P | 35.2 | Very low | 26.7 | Very low | 92 Ų | 92 | 152.8 Ų | 152.8 | 60% | 0.597 | 78% | 0.775 | S | S | * | * | | | | -104.8 | -144.4 | -112.6 | 38 | -15.1 | 0 | 0 | 0 | 114.5 | | |
| 752 | E | 29.1 | Very low | 26.5 | Very low | 165 Ų | 165 | 146 Ų | 146 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | | | trans | 82.1 | 133 | 171.4 | -67.1 | 158.9 | -142 | 0 | 0 | 116 | | |
| 753 | E | 29.1 | Very low | 26.5 | Very low | 181 Ų | 181 | 154.3 Ų | 154.3 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | cis | -153.5 | 173 | -18.7 | -138.7 | 172.7 | -144.4 | 0 | 0 | 110.5 | | |
| 754 | S | 24 | Very low | 26.5 | Very low | 97 Ų | 97 | 149.8 Ų | 149.8 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | | | trans | -75.9 | 142.2 | -173.5 | 55 | 0 | 0 | 0 | 0 | 114.4 | | |
| 755 | N | 25.1 | Very low | 26.6 | Very low | 142 Ų | 142 | 146.5 Ų | 146.5 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | | -172.2 | 131.1 | 126.9 | -96.2 | -40.7 | 0 | 0 | 0 | 115 | | |
| 756 | L | 26.6 | Very low | 26.6 | Very low | 159 Ų | 159 | 149.2 Ų | 149.2 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | | | trans | 46.3 | 106.7 | 143.6 | -57.4 | 169.4 | 0 | 0 | 0 | 120.4 | | |
| 757 | F | 25.8 | Very low | 27 | Very low | 208 Ų | 208 | 147.7 Ų | 147.7 | 91% | 0.912 | 75% | 0.75 | S | S | * | * | | | trans | -63.9 | 162.4 | 155.9 | -69.3 | -84.7 | 0 | 0 | 0 | 111.9 | | |
| 758 | P | 32.2 | Very low | 27.3 | Very low | 111 Ų | 111 | 150.2 Ų | 150.2 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | | | | -142.8 | 163.2 | 101.6 | 39.4 | -27.3 | 0 | 0 | 0 | 116.7 | | |
| 759 | S | 22.6 | Very low | 27.5 | Very low | 101 Ų | 101 | 150.3 Ų | 150.3 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | trans | 52.6 | 98.2 | 150.4 | 60.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 760 | W | 25.3 | Very low | 27.7 | Very low | 237 Ų | 237 | 154 Ų | 154 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | | | | 38.4 | 112.8 | 101.3 | -140.6 | -43.5 | 0 | 0 | 0 | 117.1 | | |
| 761 | N | 25 | Very low | 28 | Very low | 142 Ų | 142 | 147 Ų | 147 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | | -179.8 | 161.8 | 118.8 | -97.6 | -47.4 | 0 | 0 | 0 | 117.2 | | |
| 762 | S | 24.1 | Very low | 28.1 | Very low | 99 Ų | 99 | 151.4 Ų | 151.4 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | | | trans | 46 | 90.2 | 157.2 | 59.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 763 | W | 25.9 | Very low | 28.3 | Very low | 233 Ų | 233 | 152.8 Ų | 152.8 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | | | | 30.3 | 119.4 | 112 | -82.9 | 63.7 | 0 | 0 | 0 | 119.6 | | |
| 764 | D | 26.9 | Very low | 28.2 | Very low | 116 Ų | 116 | 153.7 Ų | 153.7 | 62% | 0.62 | 79% | 0.785 | S | S | * | * | | | | 76.8 | 166.9 | 123.3 | -161.7 | 19 | 0 | 0 | 0 | 118.4 | | |
| 765 | H | 26.5 | Very low | 28.3 | Very low | 148 Ų | 148 | 159.5 Ų | 159.5 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | | | trans | 81.9 | 133.4 | 172.8 | -61.4 | 1.3 | 0 | 0 | 0 | 116 | | |
| 766 | R | 26.3 | Very low | 28.6 | Very low | 157 Ų | 157 | 163.7 Ų | 163.7 | 59% | 0.592 | 80% | 0.798 | S | S | * | * | | | cis | -170.8 | -172.2 | -10.2 | -161.1 | -172.1 | -152.1 | -174.9 | 16.8 | 108.9 | | |
| 767 | I | 32.4 | Very low | 29.3 | Very low | 138 Ų | 138 | 160.8 Ų | 160.8 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | | | trans | 88.6 | 92.5 | 156.1 | -44.2 | -168.1 | 0 | 0 | 0 | 115.8 | A769 | I767-A769 HydrophobicContact CG2-CB 4.49Š|
| 768 | Q | 36.2 | Very low | 29.2 | Very low | 189 Ų | 189 | 160.9 Ų | 160.9 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | | | trans | -68.1 | 141.1 | 139.4 | -65.4 | 171.8 | -50.3 | 0 | 0 | 109.1 | | |
| 769 | A | 28.8 | Very low | 28.8 | Very low | 97 Ų | 97 | 164.3 Ų | 164.3 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | | | trans | -127.3 | 148.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | I767 | I767-A769 HydrophobicContact CG2-CB 4.49Š|
| 770 | Q | 30.6 | Very low | 28.8 | Very low | 197 Ų | 197 | 165.1 Ų | 165.1 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | | | trans | -140.5 | 130.9 | -160.2 | 177.1 | -177.6 | -67.6 | 0 | 0 | 110.9 | | |
| 771 | G | 30.3 | Very low | 28.8 | Very low | 78 Ų | 78 | 164 Ų | 164 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | 169.5 | 138.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 772 | Q | 36.6 | Very low | 28.9 | Very low | 184 Ų | 184 | 163.8 Ų | 163.8 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | trans | -118.6 | 145.1 | 166.9 | -73.3 | -172 | -7.2 | 0 | 0 | 109.8 | | |
| 773 | K | 34.2 | Very low | 28.9 | Very low | 195 Ų | 195 | 164.9 Ų | 164.9 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | | | | 157.5 | 136.8 | 124.3 | -88.6 | 168.4 | 179.5 | 178 | 0 | 111 | | |
| 774 | E | 27.3 | Very low | 28.8 | Very low | 199 Ų | 199 | 163.8 Ų | 163.8 | 93% | 0.93 | 77% | 0.772 | S | S | * | * | | | | -173.7 | 179 | 114 | -103.3 | -169.9 | 164.7 | 0 | 0 | 112.6 | | |
| 775 | R | 26.7 | Very low | 28.8 | Very low | 220 Ų | 220 | 163.5 Ų | 163.5 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | | | trans | -150.5 | 94 | -157.4 | -174.8 | -170 | 171.6 | -177 | -2.1 | 115.8 | | |
| 776 | R | 30.3 | Very low | 28.6 | Very low | 229 Ų | 229 | 164.2 Ų | 164.2 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | | | trans | 66.8 | 177.1 | 155.3 | -55.5 | -174 | 177 | -172.1 | -1.9 | 114.8 | | |
| 777 | P | 42.2 | Very low | 28.7 | Very low | 99 Ų | 99 | 161.2 Ų | 161.2 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | | | cis | -137.9 | -176.8 | 4.8 | 32.5 | -7.9 | 0 | 0 | 0 | 118.1 | | |
| 778 | Y | 22.4 | Very low | 28.4 | Very low | 210 Ų | 210 | 161.3 Ų | 161.3 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | | | trans | 68.8 | 141.9 | 170.7 | -57.2 | -71.7 | 0 | 0 | 0 | 116.8 | | |
| 779 | F | 25.2 | Very low | 27.9 | Very low | 183 Ų | 183 | 160.2 Ų | 160.2 | 80% | 0.803 | 78% | 0.784 | S | S | * | * | | | cis | -152.7 | 158.1 | 42.8 | -128.1 | -84.5 | 0 | 0 | 0 | 115.4 | | |
| 780 | N | 22.5 | Very low | 27.6 | Very low | 118 Ų | 118 | 162.8 Ų | 162.8 | 63% | 0.631 | 78% | 0.784 | S | S | * | * | | | trans | 62.6 | 120.9 | 153.1 | -110.3 | -18.9 | 0 | 0 | 0 | 124.9 | | |
| 781 | R | 25.5 | Very low | 27.2 | Very low | 212 Ų | 212 | 161.3 Ų | 161.3 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | | | trans | 54.5 | 133.8 | 137.9 | -76.7 | 175.2 | 171 | -158.7 | -4.6 | 120.9 | | |
| 782 | N | 25.6 | Very low | 27 | Very low | 139 Ų | 139 | 166.5 Ų | 166.5 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | | | cis | 70.1 | 146.2 | 41.9 | -62.3 | 0.8 | 0 | 0 | 0 | 112.6 | | |
| 783 | I | 24.1 | Very low | 26.4 | Very low | 122 Ų | 122 | 162 Ų | 162 | 63% | 0.626 | 77% | 0.772 | S | S | * | * | | | cis | -168.4 | 150.6 | -2.5 | -118.4 | 169.8 | 0 | 0 | 0 | 108.8 | | |
| 784 | W | 23.9 | Very low | 26.3 | Very low | 209 Ų | 209 | 158.9 Ų | 158.9 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | | | trans | 59.9 | 171.6 | 159.6 | -68.1 | 16 | 0 | 0 | 0 | 116.7 | | |
| 785 | D | 26.5 | Very low | 26.2 | Very low | 111 Ų | 111 | 154 Ų | 154 | 59% | 0.594 | 77% | 0.765 | S | S | * | * | | | cis | -135.1 | 141.3 | 0.1 | -109.2 | -37.6 | 0 | 0 | 0 | 108.1 | | |
| 786 | Q | 23.5 | Very low | 26 | Very low | 163 Ų | 163 | 154.9 Ų | 154.9 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | | | | 77.7 | 109 | 76.6 | -162.4 | -177.1 | 126.1 | 0 | 0 | 115.8 | | |
| 787 | A | 27.5 | Very low | 26.7 | Very low | 94 Ų | 94 | 148.7 Ų | 148.7 | 78% | 0.777 | 76% | 0.758 | S | S | * | * | | | trans | 26.2 | 130.1 | 154.9 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 788 | T | 27 | Very low | 26.3 | Very low | 140 Ų | 140 | 149.5 Ų | 149.5 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | | | trans | -127.1 | 107.7 | 158.6 | -7.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 789 | H | 25 | Very low | 26.5 | Very low | 165 Ų | 165 | 146.4 Ų | 146.4 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | | | trans | 37.6 | 110.8 | 149.9 | -83.5 | -105.3 | 0 | 0 | 0 | 122.3 | | |
| 790 | L | 23.8 | Very low | 26.5 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | | | | 20.9 | 118.1 | 114.4 | -80.7 | 152.2 | 0 | 0 | 0 | 118.3 | | |
| 791 | Q | 22.2 | Very low | 26.7 | Very low | 166 Ų | 166 | 150.7 Ų | 150.7 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | | -170.9 | 158.6 | 96.3 | -105.2 | -149.6 | 19.8 | 0 | 0 | 115.4 | | |
| 792 | K | 26 | Very low | 26.7 | Very low | 187 Ų | 187 | 143.9 Ų | 143.9 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | | | trans | 81.6 | 85.8 | 167.8 | -66.6 | 177.9 | -177.9 | 177.9 | 0 | 119.7 | | |
| 793 | A | 22.9 | Very low | 26.6 | Very low | 90 Ų | 90 | 145 Ų | 145 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | | | | -75.1 | 165 | 125.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 794 | P | 31.9 | Very low | 26.6 | Very low | 128 Ų | 128 | 147.9 Ų | 147.9 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | | | | -121.8 | 169.5 | 64.5 | 37.9 | -28.2 | 0 | 0 | 0 | 113.2 | | |
| 795 | A | 25.2 | Very low | 27.6 | Very low | 96 Ų | 96 | 142.3 Ų | 142.3 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | | | cis | -136.2 | -179.3 | 17.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 796 | R | 23.5 | Very low | 27.4 | Very low | 239 Ų | 239 | 147.2 Ų | 147.2 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | | | trans | -145.7 | 172.7 | -177.2 | -97 | -174.5 | 169.3 | -163.4 | -2.2 | 108.6 | | |
| 797 | P | 43.8 | Very low | 27.2 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | | | cis | -106.1 | -121.8 | -32.2 | 41.9 | -26.9 | 0 | 0 | 0 | 106.5 | | |
| 798 | P | 34.4 | Very low | 26.9 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | | | cis | -84.9 | 175.2 | -18.5 | 38.7 | -35.9 | 0 | 0 | 0 | 111.9 | | |
| 799 | D | 26.9 | Very low | 26.7 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | | | cis | 73.1 | 85.6 | -6.3 | -70.9 | -36.2 | 0 | 0 | 0 | 122 | | |
| 800 | Q | 24.5 | Very low | 27.1 | Very low | 189 Ų | 189 | 141.6 Ų | 141.6 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | | | trans | -138.6 | 127.5 | 134.6 | -65.9 | -167.8 | 1 | 0 | 0 | 108 | | |
| 801 | K | 26 | Very low | 27.6 | Very low | 201 Ų | 201 | 135.1 Ų | 135.1 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | | | cis | 87.6 | 95.1 | 34.9 | -170 | -171.7 | 177.6 | -175.3 | 0 | 113.2 | | |
| 802 | G | 25.7 | Very low | 27.8 | Very low | 69 Ų | 69 | 132.6 Ų | 132.6 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | | | trans | -172.7 | 93.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 803 | N | 24.5 | Very low | 27.9 | Very low | 164 Ų | 164 | 125.1 Ų | 125.1 | 88% | 0.877 | 71% | 0.712 | S | S | * | * | | | trans | 30.5 | 154.1 | 141.4 | -52.9 | -11.2 | 0 | 0 | 0 | 124.1 | | |
| 804 | Q | 22.9 | Very low | 28.1 | Very low | 181 Ų | 181 | 128.3 Ų | 128.3 | 85% | 0.846 | 72% | 0.716 | S | S | * | * | | | trans | -78.5 | -169.5 | 161.4 | -59.1 | -178.7 | -20.5 | 0 | 0 | 111.7 | | |
| 805 | P | 45.3 | Very low | 27.9 | Very low | 93 Ų | 93 | 128.4 Ų | 128.4 | 60% | 0.604 | 71% | 0.705 | S | S | * | * | | | | -125.2 | -144.1 | -62.5 | 37.3 | -20.3 | 0 | 0 | 0 | 111.2 | | |
| 806 | Y | 22.4 | Very low | 27.9 | Very low | 214 Ų | 214 | 132.2 Ų | 132.2 | 84% | 0.839 | 70% | 0.704 | S | S | * | * | | | trans | 76.7 | 156.1 | 176.6 | -63.3 | -77.9 | 0 | 0 | 0 | 116 | | |
| 807 | S | 20.5 | Very low | 28.2 | Very low | 93 Ų | 93 | 127.9 Ų | 127.9 | 65% | 0.65 | 70% | 0.698 | S | S | * | * | | | cis | -164 | 149.7 | -13.4 | 43.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 808 | S | 20.8 | Very low | 27.4 | Very low | 94 Ų | 94 | 129.1 Ų | 129.1 | 66% | 0.657 | 71% | 0.707 | S | S | * | * | | | trans | 39.6 | 131.6 | 145.8 | 65.1 | 0 | 0 | 0 | 0 | 124.2 | | |
| 809 | N | 22.1 | Very low | 27.3 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 72% | 0.717 | 70% | 0.703 | S | S | * | * | | | trans | 72.4 | 116.9 | 145.2 | -59.8 | -10.8 | 0 | 0 | 0 | 120.3 | P811 | N809-P811 VanDerWaalsContact O-CD 3.24Å; N809-P811 WeakPolarHBondContact O-CD 3.4Å |
| 810 | T | 34.7 | Very low | 28.2 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 76% | 0.755 | 70% | 0.704 | S | S | * | * | | | trans | -73.3 | 130.2 | 162.4 | 38.3 | 0 | 0 | 0 | 0 | 112.6 | N827 | T810-N827 PolarHBondContact O-ND2 2.9Š|
| 811 | P | 32.8 | Very low | 28.4 | Very low | 16 Ų | 16 | 133 Ų | 133 | 10% | 0.104 | 70% | 0.702 | C | S | . | * | | | trans | -145.4 | 155.8 | 178.6 | 45.4 | -26.1 | 0 | 0 | 0 | 114.5 | N809 D825 L826 N827 | N809-P811 VanDerWaalsContact O-CD 3.24Å; N809-P811 WeakPolarHBondContact O-CD 3.4Å; P811-D825 WeakPolarHBondContact CD-OD2 3.39Å; P811-D825 HydrophobicContact CG-CB 3.92Å; P811-D825 CarbonylContact O-C 3.53Å; P811-D825 WeakPolarHBondContact O-CA 3.46Å; P811-D825 WeakPolarHBondContact O-CB 3.08Å; P811-L826 VanDerWaalsContact C-CA 3.49Å; P811-L826 HydrophobicContact CB-CD2 4.15Å; P811-L826 HydrophobicContact CG-CD2 4.06Å; P811-L826 HydrophobicContact CG-CG 4.35Å; P811-L826 PolarHBondContact O-N 2.99Å; P811-N827 HydrophobicContact CB-CB 3.62Å; P811-N827 VanDerWaalsContact CB-N 3.25Å; P811-N827 WeakPolarHBondContact CB-ND2 3.34Å |
| 812 | V | 27.9 | Very low | 28.6 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 69% | 0.685 | 70% | 0.704 | S | S | * | * | | | trans | -142.1 | 126.3 | -172.6 | -173.3 | 0 | 0 | 0 | 0 | 116.7 | L826 N827 | V812-L826 VanDerWaalsContact C-C 3.42Å; V812-L826 CarbonylContact C-O 3.59Å; V812-L826 VanDerWaalsContact CA-N 3.33Å; V812-L826 PolarHBondContact N-O 3.39Å; V812-L826 CarbonylContact O-C 3.56Å; V812-N827 VanDerWaalsContact N-N 3.17Å |
| 813 | G | 27.2 | Very low | 28.7 | Very low | 29 Ų | 29 | 133.2 Ų | 133.2 | 30% | 0.299 | 71% | 0.709 | S | S | . | * | | | trans | -140.3 | 169.7 | -165.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | K367 L826 | K367-G813 WeakPolarHBondContact CE-O 2.97Å; K367-G813 PolarHBondContact NZ-O 3Å; G813-L826 WeakPolarHBondContact CA-O 3.24Å; G813-L826 PolarHBondContact N-O 3.11Å |
| 814 | L | 27.4 | Very low | 29 | Very low | 157 Ų | 157 | 134.6 Ų | 134.6 | 82% | 0.822 | 71% | 0.71 | S | S | * | * | | | trans | -86.5 | 178.2 | -174.5 | -79.5 | 161.3 | 0 | 0 | 0 | 113.4 | | |
| 815 | Q | 27 | Very low | 29.5 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 61% | 0.607 | 69% | 0.694 | S | S | * | * | | | cis | -171.4 | 156.4 | -12.2 | 157.2 | -179.1 | 110.6 | 0 | 0 | 109.8 | | |
| 816 | K | 26.4 | Very low | 28.7 | Very low | 177 Ų | 177 | 132.1 Ų | 132.1 | 77% | 0.77 | 70% | 0.697 | S | S | * | * | | | trans | 68.2 | 114.2 | 165.2 | -80.6 | 159.1 | -170.9 | 154.1 | 0 | 118.6 | | |
| 817 | N | 28.5 | Very low | 29.1 | Very low | 147 Ų | 147 | 125.7 Ų | 125.7 | 79% | 0.786 | 68% | 0.677 | S | S | * | * | | | trans | -40 | 146.5 | 163.8 | -54.4 | -0.9 | 0 | 0 | 0 | 113.3 | | |
| 818 | P | 27.2 | Very low | 29.4 | Very low | 127 Ų | 127 | 131 Ų | 131 | 83% | 0.825 | 68% | 0.684 | S | S | * | * | | | | -82.4 | 163.5 | 65.3 | 23 | -34.9 | 0 | 0 | 0 | 115.4 | | |
| 819 | M | 33.7 | Very low | 29.6 | Very low | 137 Ų | 137 | 129.8 Ų | 129.8 | 68% | 0.675 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -63.7 | 156.6 | 170.3 | -174.2 | 168.5 | 37.6 | 0 | 0 | 110.1 | | |
| 820 | W | 45.1 | Very low | 29.6 | Very low | 211 Ų | 211 | 132.8 Ų | 132.8 | 80% | 0.799 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 85 | 104.8 | 172.2 | -44.1 | 102.3 | 0 | 0 | 0 | 118.3 | | |
| 821 | H | 27.7 | Very low | 29.3 | Very low | 182 Ų | 182 | 135 Ų | 135 | 84% | 0.843 | 70% | 0.701 | S | S | * | * | | | trans | 66.3 | 166.5 | 162 | -79.9 | -80.2 | 0 | 0 | 0 | 120.2 | | |
| 822 | E | 31.2 | Very low | 28.8 | Very low | 197 Ų | 197 | 141.9 Ų | 141.9 | 92% | 0.921 | 73% | 0.733 | S | S | * | * | | | trans | 68.6 | 155.8 | 168.9 | -65.8 | 178.2 | 178.6 | 0 | 0 | 119.8 | | |
| 823 | G | 27.3 | Very low | 28.8 | Very low | 79 Ų | 79 | 142.9 Ų | 142.9 | 81% | 0.814 | 74% | 0.74 | S | S | * | * | | | trans | 128.7 | 119.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 824 | E | 31.7 | Very low | 28.6 | Very low | 193 Ų | 193 | 152.2 Ų | 152.2 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | | | trans | -104 | 161.4 | 174.4 | -62 | 163.7 | 134.1 | 0 | 0 | 111.4 | | |
| 825 | D | 33.3 | Very low | 28.3 | Very low | 95 Ų | 95 | 148.5 Ų | 148.5 | 51% | 0.508 | 75% | 0.745 | S | S | . | * | | | trans | 10.3 | 132.1 | 141 | -81.9 | 19.2 | 0 | 0 | 0 | 121.5 | P811 | P811-D825 WeakPolarHBondContact CD-OD2 3.39Å; P811-D825 HydrophobicContact CG-CB 3.92Å; P811-D825 CarbonylContact O-C 3.53Å; P811-D825 WeakPolarHBondContact O-CA 3.46Å; P811-D825 WeakPolarHBondContact O-CB 3.08Å |
| 826 | L | 28.7 | Very low | 28.2 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 66% | 0.66 | 74% | 0.744 | S | S | * | * | | | trans | 179.9 | 121.8 | 148.6 | -99.6 | 171.4 | 0 | 0 | 0 | 118.5 | P811 V812 G813 | P811-L826 VanDerWaalsContact C-CA 3.49Å; P811-L826 HydrophobicContact CB-CD2 4.15Å; P811-L826 HydrophobicContact CG-CD2 4.06Å; P811-L826 HydrophobicContact CG-CG 4.35Å; P811-L826 PolarHBondContact O-N 2.99Å; V812-L826 VanDerWaalsContact C-C 3.42Å; V812-L826 CarbonylContact C-O 3.59Å; V812-L826 VanDerWaalsContact CA-N 3.33Å; V812-L826 PolarHBondContact N-O 3.39Å; V812-L826 CarbonylContact O-C 3.56Å; G813-L826 WeakPolarHBondContact CA-O 3.24Å; G813-L826 PolarHBondContact N-O 3.11Å |
| 827 | N | 29.9 | Very low | 28 | Very low | 79 Ų | 79 | 140.7 Ų | 140.7 | 42% | 0.422 | 72% | 0.719 | S | S | . | * | | | trans | -69.5 | 162.3 | -161.3 | -104.3 | -27 | 0 | 0 | 0 | 117.5 | T810 P811 V812 | T810-N827 PolarHBondContact O-ND2 2.9Å; P811-N827 HydrophobicContact CB-CB 3.62Å; P811-N827 VanDerWaalsContact CB-N 3.25Å; P811-N827 WeakPolarHBondContact CB-ND2 3.34Å; V812-N827 VanDerWaalsContact N-N 3.17Å |
| 828 | Y | 26.5 | Very low | 28.6 | Very low | 205 Ų | 205 | 136.7 Ų | 136.7 | 80% | 0.804 | 70% | 0.701 | S | S | * | * | | | | 158.1 | 140.1 | 106.6 | -96.4 | -77.5 | 0 | 0 | 0 | 114.8 | | |
| 829 | G | 25.9 | Very low | 28.5 | Very low | 69 Ų | 69 | 136.5 Ų | 136.5 | 71% | 0.711 | 69% | 0.69 | S | S | * | * | | | | 89.4 | 136.7 | 121.4 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 830 | M | 22.3 | Very low | 28.1 | Very low | 197 Ų | 197 | 137 Ų | 137 | 97% | 0.97 | 68% | 0.684 | S | S | * | * | | | trans | 84.6 | 159.4 | 145.5 | -143.1 | 150.5 | -177.1 | 0 | 0 | 119.7 | | |
| 831 | Q | 27.6 | Very low | 27.3 | Very low | 169 Ų | 169 | 132.5 Ų | 132.5 | 79% | 0.79 | 67% | 0.672 | S | S | * | * | | | trans | -105.6 | 158.1 | -171.2 | -57.8 | 173.9 | 6.9 | 0 | 0 | 111.5 | | |
| 832 | M | 23.2 | Very low | 27.2 | Very low | 160 Ų | 160 | 130.8 Ų | 130.8 | 79% | 0.788 | 66% | 0.664 | S | S | * | * | | | | 147.4 | 164.4 | 118.9 | -77.7 | -154.2 | -65.2 | 0 | 0 | 115.1 | | |
| 833 | T | 26 | Very low | 26.9 | Very low | 134 Ų | 134 | 125 Ų | 125 | 82% | 0.822 | 65% | 0.645 | S | S | * | * | | | trans | 72.2 | 105.3 | 153.7 | 23.2 | 0 | 0 | 0 | 0 | 120.5 | | |
| 834 | R | 23.5 | Very low | 26.7 | Very low | 225 Ų | 225 | 124.2 Ų | 124.2 | 85% | 0.849 | 63% | 0.627 | S | S | * | * | | | trans | -64.2 | 129 | 152.6 | 179.6 | -160.3 | -164.1 | -179.8 | 4.9 | 110.5 | | |
| 835 | M | 22.1 | Very low | 26.5 | Very low | 79 Ų | 79 | 120.4 Ų | 120.4 | 39% | 0.389 | 61% | 0.608 | S | S | . | * | | | | 169.1 | 144.2 | 119 | -85.6 | -171.9 | -80.9 | 0 | 0 | 112.1 | N1126 | M835-N1126 HydrophobicContact CB-CB 4.47Å; M835-N1126 VanDerWaalsContact CB-CG 3.47Å; M835-N1126 WeakPolarHBondContact CB-OD1 3.46Å; M835-N1126 PolarHBondContact O-ND2 3.48Å; M835-N1126 PolarHBondContact O-OD1 2.79Å |
| 836 | N | 24.7 | Very low | 26.6 | Very low | 107 Ų | 107 | 120.1 Ų | 120.1 | 57% | 0.572 | 61% | 0.611 | S | S | * | * | | | trans | 30.2 | 145.7 | 148.7 | -49.1 | -7.8 | 0 | 0 | 0 | 123.1 | G1124 T1125 N1126 | N836-G1124 WeakPolarHBondContact CB-O 3.17Å; N836-T1125 WeakPolarHBondContact O-CB 3.47Å; N836-T1125 VanDerWaalsContact O-CG2 3.23Å; N836-T1125 WeakPolarHBondContact O-CG2 3.16Å; N836-N1126 PolarHBondContact O-OD1 3.25Å |
| 837 | S | 22.5 | Very low | 26.3 | Very low | 36 Ų | 36 | 119.8 Ų | 119.8 | 25% | 0.252 | 61% | 0.61 | S | S | . | * | | | trans | 164.2 | -165.4 | 139 | -59.9 | 0 | 0 | 0 | 0 | 120 | R1123 G1124 T1125 | S837-R1123 WeakPolarHBondContact O-CG 3.2Å; S837-R1123 VanDerWaalsContact O-CZ 3.25Å; S837-R1123 PolarHBondContact O-NE 1.92Å; S837-G1124 WeakPolarHBondContact CB-O 3.32Å; S837-G1124 VanDerWaalsContact OG-C 3.25Å; S837-G1124 PolarHBondContact OG-N 2.97Å; S837-G1124 PolarHBondContact OG-O 2.98Å; S837-T1125 VanDerWaalsContact CB-CB 3.49Å |
| 838 | P | 40.8 | Very low | 26.2 | Very low | 63 Ų | 63 | 125.3 Ų | 125.3 | 41% | 0.409 | 63% | 0.63 | S | S | . | * | | | | -123.3 | 168.4 | -88 | 10.5 | 11.1 | 0 | 0 | 0 | 116.2 | R1123 | P838-R1123 VanDerWaalsContact C-CD 3.48Å; P838-R1123 WeakPolarHBondContact CA-O 3.22Å; P838-R1123 PolarHBondContact O-NH1 3.05Å |
| 839 | E | 25.8 | Very low | 26.5 | Very low | 124 Ų | 124 | 123.2 Ų | 123.2 | 58% | 0.579 | 63% | 0.631 | S | S | * | * | | | trans | 60.4 | 164 | 168.4 | -71.8 | -178 | 136.6 | 0 | 0 | 117.5 | R1123 | E839-R1123 PolarHBondContact N-O 2.57Å; E839-R1123 VanDerWaalsContact O-CD 3.27Å; E839-R1123 WeakPolarHBondContact O-CD 3.16Å; E839-R1123 PolarHBondContact O-NH1 2.91Å; E839-R1123 VanDerWaalsContact O-NH1 3.09Å |
| 840 | R | 24.8 | Very low | 26.6 | Very low | 147 Ų | 147 | 125.4 Ų | 125.4 | 56% | 0.555 | 63% | 0.633 | S | S | * | * | | | cis | 151.7 | 148.2 | -16.6 | -141.1 | -176.7 | 171.1 | 160.2 | -2.3 | 104.2 | | |
| 841 | E | 27.4 | Very low | 26.9 | Very low | 117 Ų | 117 | 125.2 Ų | 125.2 | 55% | 0.547 | 63% | 0.63 | S | S | . | * | | | cis | -140.9 | -178 | -2 | -154 | 142.8 | -139.9 | 0 | 0 | 109.7 | L1121 | E841-L1121 HydrophobicContact CG-CD1 4.45Š|
| 842 | H | 26.9 | Very low | 26.7 | Very low | 146 Ų | 146 | 120.4 Ų | 120.4 | 68% | 0.676 | 62% | 0.615 | S | S | * | * | | | trans | 90.7 | 147.3 | -170.1 | -50.8 | -49.3 | 0 | 0 | 0 | 115.3 | F1120 | H842-F1120 WeakPolarHBondContact O-CB 3.41Å; H842-F1120 VanDerWaalsContact O-CD1 3.22Å; H842-F1120 WeakPolarHBondContact O-CD1 3.39Å |
| 843 | S | 23.9 | Very low | 27.3 | Very low | 75 Ų | 75 | 123.6 Ų | 123.6 | 52% | 0.524 | 62% | 0.62 | S | S | . | * | | | | 172.9 | 138.6 | -78.4 | 58.4 | 0 | 0 | 0 | 0 | 109.9 | E1119 | S843-E1119 PolarHBondContact N-OE2 2.78Š|
| 844 | S | 24.2 | Very low | 27.8 | Very low | 62 Ų | 62 | 119.4 Ų | 119.4 | 43% | 0.434 | 60% | 0.595 | S | S | . | * | | | cis | -152.9 | 145.1 | 22.5 | 54.4 | 0 | 0 | 0 | 0 | 112.6 | P1117 F1118 E1119 | S844-P1117 CarbonylContact O-C 3.39Å; S844-P1117 VanDerWaalsContact O-C 3.31Å; S844-F1118 CarbonylContact O-C 3.31Å; S844-F1118 VanDerWaalsContact O-CA 3.29Å; S844-F1118 WeakPolarHBondContact O-CA 3.41Å; S844-F1118 VanDerWaalsContact O-CB 3.29Å; S844-F1118 WeakPolarHBondContact O-CB 2.96Å; S844-F1118 PolarHBondContact O-N 3.38Å; S844-E1119 CarbonylContact C-O 3.19Å; S844-E1119 WeakPolarHBondContact CA-O 2.95Å; S844-E1119 PolarHBondContact O-N 2.65Å |
| 845 | F | 26.3 | Very low | 28 | Very low | 114 Ų | 114 | 113.5 Ų | 113.5 | 50% | 0.5 | 59% | 0.588 | S | S | . | * | | | trans | -39.4 | 172 | 172 | -74.9 | -75.4 | 0 | 0 | 0 | 119 | P1117 E1119 F1120 | F845-P1117 CarbonylContact C-O 3.12Å; F845-E1119 PolarHBondContact N-O 2.93Å; F845-F1120 WeakPolarHBondContact CE2-O 3.49Å; F845-F1120 WeakPolarHBondContact CZ-O 3.03Å |
| 846 | P | 35.1 | Very low | 28.2 | Very low | 89 Ų | 89 | 113 Ų | 113 | 58% | 0.578 | 60% | 0.603 | S | S | * | * | | | cis | -138.6 | -177.2 | 11.6 | 27.1 | -1.1 | 0 | 0 | 0 | 119.2 | | |
| 847 | D | 23.7 | Very low | 28.5 | Very low | 119 Ų | 119 | 115.5 Ų | 115.5 | 64% | 0.636 | 61% | 0.611 | S | S | * | * | | | trans | -41.9 | 162.3 | 166.4 | -45.6 | -87.2 | 0 | 0 | 0 | 119.2 | | |
| 848 | F | 26.3 | Very low | 29 | Very low | 194 Ų | 194 | 121.9 Ų | 121.9 | 85% | 0.851 | 64% | 0.635 | S | S | * | * | | | | 173.8 | 141.2 | 105.9 | -97.3 | -70.7 | 0 | 0 | 0 | 112.9 | | |
| 849 | I | 34.2 | Very low | 28.6 | Very low | 161 Ų | 161 | 125.7 Ų | 125.7 | 83% | 0.826 | 65% | 0.647 | S | S | * | * | | | trans | -105.4 | 126 | 166 | -65.4 | 173.5 | 0 | 0 | 0 | 108.8 | | |
| 850 | P | 26.3 | Very low | 28.8 | Very low | 116 Ų | 116 | 123.4 Ų | 123.4 | 75% | 0.753 | 65% | 0.649 | S | S | * | * | | | | -138.4 | 158.6 | 128.6 | 36.4 | -24.7 | 0 | 0 | 0 | 113.9 | | |
| 851 | Q | 29.5 | Very low | 29 | Very low | 192 Ų | 192 | 125.4 Ų | 125.4 | 90% | 0.897 | 66% | 0.664 | S | S | * | * | | | trans | -81.6 | 133.8 | 172.5 | -58.4 | 167.3 | -60 | 0 | 0 | 111.1 | | |
| 852 | S | 23.3 | Very low | 29 | Very low | 68 Ų | 68 | 126.5 Ų | 126.5 | 48% | 0.476 | 67% | 0.673 | S | S | . | * | | | trans | -170.5 | 143.4 | 136.8 | 54.1 | 0 | 0 | 0 | 0 | 113.2 | H586 | H586-S852 PolarHBondContact O-OG 3.37Š|
| 853 | Y | 35.7 | Very low | 29 | Very low | 227 Ų | 227 | 127 Ų | 127 | 89% | 0.89 | 67% | 0.674 | S | S | * | * | | | trans | -84.8 | 151.1 | 173.6 | -81.1 | -94 | 0 | 0 | 0 | 112.1 | | |
| 854 | P | 37.6 | Very low | 29.2 | Very low | 47 Ų | 47 | 130.8 Ų | 130.8 | 31% | 0.305 | 68% | 0.683 | S | S | . | * | | | | -145.9 | 168.6 | 124.4 | 38.3 | -23.5 | 0 | 0 | 0 | 112.5 | P587 | P587-P854 HydrophobicContact CB-CG 3.84Å; P587-P854 HydrophobicContact CG-CG 4Å |
| 855 | S | 26.6 | Very low | 29.3 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | | | cis | -169.7 | 175.1 | -20.9 | 57.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 856 | G | 27 | Very low | 29.1 | Very low | 67 Ų | 67 | 133.5 Ų | 133.5 | 69% | 0.691 | 70% | 0.704 | S | S | * | * | | | trans | 154.1 | 56.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 857 | Q | 31.1 | Very low | 28.9 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 75% | 0.752 | 72% | 0.72 | S | S | * | * | | | | 68.7 | 115.9 | 96.9 | -74.4 | -164.7 | -21.2 | 0 | 0 | 115.1 | | |
| 858 | K | 31.6 | Very low | 29.1 | Very low | 170 Ų | 170 | 147 Ų | 147 | 74% | 0.739 | 74% | 0.735 | S | S | * | * | | | | -167.2 | 131.1 | 94.1 | -86.2 | -158.2 | 173.3 | -129.6 | 0 | 109.4 | | |
| 859 | E | 33.8 | Very low | 29.1 | Very low | 142 Ų | 142 | 141.2 Ų | 141.2 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | | | | 56.3 | 127 | 85.4 | -57.2 | 178.5 | 129.7 | 0 | 0 | 112.8 | | |
| 860 | A | 30.3 | Very low | 28.9 | Very low | 77 Ų | 77 | 138.9 Ų | 138.9 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | | | cis | -153.9 | 171.6 | -9.6 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 861 | H | 27.7 | Very low | 28.8 | Very low | 188 Ų | 188 | 138.8 Ų | 138.8 | 87% | 0.87 | 73% | 0.729 | S | S | * | * | | | cis | -158.2 | 172.9 | 48.5 | -73.3 | -89.6 | 0 | 0 | 0 | 112.1 | | |
| 862 | L | 27.7 | Very low | 28.8 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | | | trans | -113.8 | 169.4 | -175.9 | -73.6 | 153.7 | 0 | 0 | 0 | 113.2 | | |
| 863 | F | 26.6 | Very low | 29.1 | Very low | 157 Ų | 157 | 139.3 Ų | 139.3 | 69% | 0.689 | 75% | 0.746 | S | S | * | * | | | trans | 87.8 | 120.1 | 149.2 | -57.2 | -51.2 | 0 | 0 | 0 | 122.2 | | |
| 864 | H | 28.1 | Very low | 28.6 | Very low | 155 Ų | 155 | 131.3 Ų | 131.3 | 72% | 0.718 | 73% | 0.733 | S | S | * | * | | | | 64.6 | 153.3 | 123.3 | -65.7 | -32.3 | 0 | 0 | 0 | 121.9 | | |
| 865 | L | 26.4 | Very low | 28 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | | | cis | -163.2 | 156.7 | -25.4 | -165.1 | 80.3 | 0 | 0 | 0 | 108.7 | | |
| 866 | S | 23.5 | Very low | 28.1 | Very low | 92 Ų | 92 | 135 Ų | 135 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | | | trans | 50.1 | 113.3 | 150 | 60.3 | 0 | 0 | 0 | 0 | 122.4 | | |
| 867 | R | 29.3 | Very low | 28.5 | Very low | 241 Ų | 241 | 139 Ų | 139 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | | | | 20.2 | 126.2 | 124 | -65.7 | 179.2 | 169.1 | -164.3 | -2.7 | 119.8 | | |
| 868 | R | 28.7 | Very low | 28.2 | Very low | 250 Ų | 250 | 134.3 Ų | 134.3 | 94% | 0.943 | 77% | 0.766 | S | S | * | * | | | | -175.7 | 140.3 | 110.2 | -95.1 | 166.9 | -173.4 | -155.2 | 1.6 | 107.4 | | |
| 869 | G | 26.2 | Very low | 28.6 | Very low | 73 Ų | 73 | 131.9 Ų | 131.9 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | | | | 97.7 | 147.9 | 81 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 870 | S | 30.8 | Very low | 28.4 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | | | cis | -167 | 155.6 | -0.7 | 48.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 871 | C | 23.6 | Very low | 28.4 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | | | trans | 31.1 | 124.2 | 145.8 | -60.7 | 0 | 0 | 0 | 0 | 122.8 | | |
| 872 | C | 29.1 | Very low | 28.6 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | | | | 62.4 | 112.6 | 124.5 | -53.3 | 0 | 0 | 0 | 0 | 121.2 | | |
| 873 | T | 30 | Very low | 29.1 | Very low | 155 Ų | 155 | 132 Ų | 132 | 95% | 0.951 | 77% | 0.766 | S | S | * | * | | | | -177.8 | 157.1 | 119.4 | 20 | 0 | 0 | 0 | 0 | 108.5 | | |
| 874 | G | 24.2 | Very low | 29.2 | Very low | 59 Ų | 59 | 132 Ų | 132 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | | | cis | 157.3 | 150.4 | -0.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 875 | S | 26.1 | Very low | 29.3 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | 64.3 | 123.6 | 178.6 | -55.6 | 0 | 0 | 0 | 0 | 116 | | |
| 876 | S | 27.3 | Very low | 29.5 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | cis | 86.8 | 100.5 | 33.3 | 83.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 877 | T | 36.1 | Very low | 29.9 | Very low | 149 Ų | 149 | 131.4 Ų | 131.4 | 91% | 0.914 | 78% | 0.776 | S | S | * | * | | | trans | -148 | 132.7 | 134.7 | -20.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 878 | G | 26 | Very low | 29.9 | Very low | 64 Ų | 64 | 125.5 Ų | 125.5 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | | | trans | -107.3 | -147.5 | 156 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 879 | P | 38.4 | Very low | 29.9 | Very low | 119 Ų | 119 | 123.4 Ų | 123.4 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | | | cis | -125.3 | -171.8 | -22.1 | 40.5 | -26.5 | 0 | 0 | 0 | 111.3 | | |
| 880 | K | 29.4 | Very low | 30.1 | Very low | 181 Ų | 181 | 126 Ų | 126 | 79% | 0.787 | 76% | 0.758 | S | S | * | * | | | trans | 70.6 | 153 | 165.3 | -77.4 | -175.9 | 166.6 | -162.3 | 0 | 116.9 | | |
| 881 | D | 30.5 | Very low | 30.4 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 65% | 0.647 | 75% | 0.753 | S | S | * | * | | | cis | -133.1 | 168.6 | 8.8 | -113.3 | -42.9 | 0 | 0 | 0 | 115 | | |
| 882 | N | 32.9 | Very low | 30.5 | Very low | 141 Ų | 141 | 125.1 Ų | 125.1 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | | | trans | -47 | 178.9 | 168.6 | -83 | -45.6 | 0 | 0 | 0 | 117.1 | | |
| 883 | P | 37.2 | Very low | 30.7 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | | | cis | -135.9 | 170.3 | 11 | 23.4 | 2.1 | 0 | 0 | 0 | 118.4 | | |
| 884 | L | 30.3 | Very low | 30.5 | Very low | 159 Ų | 159 | 127 Ų | 127 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | | | trans | 30.5 | 127.1 | 141.2 | -54.3 | 168.3 | 0 | 0 | 0 | 118.3 | | |
| 885 | A | 29.6 | Very low | 30.9 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 79% | 0.793 | 76% | 0.763 | S | S | * | * | | | | -174.3 | 164.8 | 55.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 886 | L | 31 | Very low | 31.1 | Very low | 134 Ų | 134 | 131.5 Ų | 131.5 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | | | cis | -174.3 | 135.1 | -16.7 | 170.6 | 67.5 | 0 | 0 | 0 | 108.2 | | |
| 887 | Q | 31.6 | Very low | 31.7 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | | | trans | 64.6 | 155.7 | 165.1 | -70.3 | 178 | -69.7 | 0 | 0 | 117.5 | | |
| 888 | D | 29.5 | Very low | 31.2 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 63% | 0.626 | 76% | 0.758 | S | S | * | * | | | cis | -163.6 | 163.7 | -12.8 | -103.6 | -14.3 | 0 | 0 | 0 | 106.1 | | |
| 889 | Y | 27.6 | Very low | 31.3 | Very low | 205 Ų | 205 | 133.9 Ų | 133.9 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | cis | -174.5 | 142.6 | -19.6 | -151.2 | -101.8 | 0 | 0 | 0 | 105.1 | | |
| 890 | T | 30.5 | Very low | 30.8 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | trans | -118.6 | 151.7 | 166.1 | 9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 891 | P | 37.8 | Very low | 30.8 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | | | | -163.4 | 162.9 | 88.2 | 42.4 | -21.3 | 0 | 0 | 0 | 120.5 | | |
| 892 | S | 26.5 | Very low | 30.7 | Very low | 103 Ų | 103 | 134 Ų | 134 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | | | trans | 60.4 | 120.2 | 135.6 | -64 | 0 | 0 | 0 | 0 | 126 | | |
| 893 | Y | 31.8 | Very low | 30.6 | Very low | 237 Ų | 237 | 130.7 Ų | 130.7 | 93% | 0.929 | 75% | 0.747 | S | S | * | * | | | | 37.8 | 134.9 | 119.8 | -75 | -85.6 | 0 | 0 | 0 | 123.4 | | |
| 894 | G | 26.6 | Very low | 30.3 | Very low | 73 Ų | 73 | 130 Ų | 130 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | | | trans | -173.9 | 147.1 | 154.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 895 | L | 32.5 | Very low | 30.4 | Very low | 176 Ų | 176 | 125.1 Ų | 125.1 | 92% | 0.921 | 72% | 0.723 | S | S | * | * | | | trans | -137.9 | 118.6 | 179 | -92.1 | 173.8 | 0 | 0 | 0 | 112.4 | | |
| 896 | A | 30.8 | Very low | 30.4 | Very low | 96 Ų | 96 | 125.4 Ų | 125.4 | 79% | 0.793 | 71% | 0.71 | S | S | * | * | | | trans | 59.7 | 177.6 | 162 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 897 | P | 39.6 | Very low | 30.1 | Very low | 125 Ų | 125 | 129 Ų | 129 | 81% | 0.812 | 72% | 0.716 | S | S | * | * | | | cis | -128.9 | 172.2 | -9.6 | 41.6 | -27.2 | 0 | 0 | 0 | 115.1 | | |
| 898 | G | 26.1 | Very low | 30 | Very low | 77 Ų | 77 | 127.1 Ų | 127.1 | 79% | 0.794 | 72% | 0.715 | S | S | * | * | | | trans | 75 | 174.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 899 | E | 27 | Very low | 30 | Very low | 168 Ų | 168 | 130.5 Ų | 130.5 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | | | cis | -162.5 | 129 | -17.2 | -178.9 | 173.8 | 162.7 | 0 | 0 | 111.3 | | |
| 900 | N | 28.4 | Very low | 29.9 | Very low | 133 Ų | 133 | 123.5 Ų | 123.5 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | | | trans | 56.5 | 159.4 | 155.2 | -63.4 | -27 | 0 | 0 | 0 | 123.9 | | |
| 901 | Q | 29.1 | Very low | 29.9 | Very low | 164 Ų | 164 | 122.3 Ų | 122.3 | 77% | 0.766 | 71% | 0.714 | S | S | * | * | | | trans | 74.1 | 109.1 | 162 | -51.2 | -133.6 | -89.7 | 0 | 0 | 117.5 | | |
| 902 | D | 27.6 | Very low | 29.6 | Very low | 126 Ų | 126 | 126 Ų | 126 | 67% | 0.674 | 72% | 0.721 | S | S | * | * | | | | 75 | 128.6 | 87.2 | -61.6 | -52.7 | 0 | 0 | 0 | 112.3 | | |
| 903 | T | 31.8 | Very low | 30 | Very low | 72 Ų | 72 | 125.1 Ų | 125.1 | 44% | 0.442 | 72% | 0.715 | S | S | . | * | | | | -172.9 | -178.1 | 77.8 | -62.3 | 0 | 0 | 0 | 0 | 109.5 | T241 A242 N243 | T241-T903 WeakPolarHBondContact O-CG2 3.49Å; A242-T903 VanDerWaalsContact C-C 3.49Å; A242-T903 CarbonylContact C-O 3.55Å; A242-T903 HydrophobicContact CB-CG2 4.28Å; A242-T903 CarbonylContact O-C 3.01Å; A242-T903 VanDerWaalsContact O-CA 3.23Å; A242-T903 WeakPolarHBondContact O-CA 3.12Å; A242-T903 WeakPolarHBondContact O-CB 3.46Å; A242-T903 PolarHBondContact O-N 3.31Å; N243-T903 CarbonylContact C-O 3.56Å; N243-T903 VanDerWaalsContact O-O 3.05Å |
| 904 | S | 30.4 | Very low | 29.9 | Very low | 92 Ų | 92 | 122.9 Ų | 122.9 | 64% | 0.643 | 71% | 0.711 | S | S | * | * | B | Isolated β-bridge | trans | -145 | 108.5 | -163.5 | 64.2 | 0 | 0 | 0 | 0 | 119.9 | T241 | T241-S904 CarbonylContact O-C 3.42Å; T241-S904 WeakPolarHBondContact O-CA 3.31Å; T241-S904 PolarHBondContact O-N 2.82Å |
| 905 | P | 33 | Very low | 30.2 | Very low | 56 Ų | 56 | 127.3 Ų | 127.3 | 36% | 0.364 | 71% | 0.712 | S | S | . | * | | | trans | -121.4 | 176 | 172.2 | 44.4 | -35.4 | 0 | 0 | 0 | 111.8 | | |
| 906 | L | 29.5 | Very low | 30.2 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 53% | 0.534 | 70% | 0.7 | S | S | . | * | | | cis | 94.1 | 112.1 | 13.7 | -51.4 | 163.4 | 0 | 0 | 0 | 114 | P240 | P240-L906 HydrophobicContact CB-CD1 3.4Š|
| 907 | Y | 23.6 | Very low | 30.2 | Very low | 208 Ų | 208 | 129.7 Ų | 129.7 | 82% | 0.816 | 70% | 0.7 | S | S | * | * | | | | 61.8 | 141.2 | 57.6 | -68.7 | -88.9 | 0 | 0 | 0 | 112 | | |
| 908 | T | 30.3 | Very low | 29.7 | Very low | 107 Ų | 107 | 132 Ų | 132 | 66% | 0.656 | 70% | 0.7 | S | S | * | * | | | cis | -153.7 | 167 | 15.9 | -20.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 909 | E | 28.6 | Very low | 29.9 | Very low | 187 Ų | 187 | 135.7 Ų | 135.7 | 87% | 0.874 | 70% | 0.699 | S | S | * | * | | | trans | 45.7 | 143.5 | 133.7 | -158.2 | 163 | -150.8 | 0 | 0 | 121.9 | | |
| 910 | G | 26.2 | Very low | 30.1 | Very low | 58 Ų | 58 | 135.6 Ų | 135.6 | 60% | 0.598 | 70% | 0.703 | S | S | * | * | | | cis | 164.4 | -171.7 | 0.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 911 | S | 29.8 | Very low | 29.9 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | | | trans | 71.3 | 156.2 | 175.8 | -45.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 912 | H | 31.8 | Very low | 30.3 | Very low | 181 Ų | 181 | 131.7 Ų | 131.7 | 84% | 0.838 | 70% | 0.701 | S | S | * | * | | | cis | -148 | 172.5 | 13.2 | -75.7 | -78 | 0 | 0 | 0 | 108.9 | | |
| 913 | S | 35.3 | Very low | 30.2 | Very low | 85 Ų | 85 | 131.4 Ų | 131.4 | 59% | 0.594 | 70% | 0.704 | S | S | * | * | | | cis | -175.9 | 175.2 | -26.1 | 63.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 914 | K | 31 | Very low | 29.9 | Very low | 190 Ų | 190 | 132.6 Ų | 132.6 | 83% | 0.826 | 72% | 0.716 | S | S | * | * | | | trans | 75.1 | 133.7 | 176.6 | -51.7 | 169.5 | -172.7 | 174.4 | 0 | 114.1 | | |
| 915 | H | 31.3 | Very low | 29.7 | Very low | 167 Ų | 167 | 134.5 Ų | 134.5 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | | | cis | -165.3 | 173.8 | -2.8 | -134.1 | 27.2 | 0 | 0 | 0 | 108.2 | | |
| 916 | T | 32.3 | Very low | 29.4 | Very low | 110 Ų | 110 | 139.3 Ų | 139.3 | 68% | 0.675 | 75% | 0.745 | S | S | * | * | | | cis | -138.6 | -122.3 | 6.2 | -42.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 917 | R | 31.3 | Very low | 29.5 | Very low | 211 Ų | 211 | 141 Ų | 141 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | | | trans | -149.6 | 160.1 | 173.1 | -65.4 | 177.6 | -177.3 | 169.8 | -1.9 | 106 | | |
| 918 | H | 29.3 | Very low | 29.7 | Very low | 175 Ų | 175 | 133.9 Ų | 133.9 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | | | | -164.4 | 174.1 | 60.2 | -91.7 | -89.2 | 0 | 0 | 0 | 113.2 | | |
| 919 | I | 29.4 | Very low | 29.6 | Very low | 153 Ų | 153 | 137.5 Ų | 137.5 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | trans | -95.8 | 146.3 | -176.5 | -61.6 | 156.1 | 0 | 0 | 0 | 111.5 | | |
| 920 | I | 31.6 | Very low | 29.5 | Very low | 166 Ų | 166 | 139 Ų | 139 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | | | trans | -165.3 | 147.3 | 151.2 | -97.5 | 143.9 | 0 | 0 | 0 | 109.7 | | |
| 921 | S | 25.6 | Very low | 29.5 | Very low | 97 Ų | 97 | 142.7 Ų | 142.7 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | | | trans | -95.7 | 157.3 | -178.9 | -45.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 922 | P | 35.8 | Very low | 29.4 | Very low | 118 Ų | 118 | 143 Ų | 143 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | | | | -131.6 | 170.7 | 85.7 | 13.2 | 10.2 | 0 | 0 | 0 | 112.7 | | |
| 923 | T | 25.7 | Very low | 29.2 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | | | cis | 88 | 135.8 | 27.8 | -46.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 924 | S | 26.2 | Very low | 28.9 | Very low | 98 Ų | 98 | 142.5 Ų | 142.5 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | | | trans | 61.4 | 121.5 | 174.3 | 47.9 | 0 | 0 | 0 | 0 | 117.4 | | |
| 925 | T | 26.4 | Very low | 28.8 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | cis | 80.5 | 110.8 | 41.7 | 70.2 | 0 | 0 | 0 | 0 | 116.1 | | |
| 926 | L | 27 | Very low | 28.7 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | | | trans | -170.5 | 130.3 | 137.7 | -100.5 | 159.2 | 0 | 0 | 0 | 106.6 | | |
| 927 | P | 32 | Very low | 28.3 | Very low | 137 Ų | 137 | 142.1 Ų | 142.1 | 89% | 0.89 | 76% | 0.762 | S | S | * | * | | | | -124.4 | 153.8 | 83.1 | 37.5 | -32.8 | 0 | 0 | 0 | 113.1 | | |
| 928 | G | 26.2 | Very low | 28.1 | Very low | 60 Ų | 60 | 137.8 Ų | 137.8 | 62% | 0.619 | 76% | 0.755 | S | S | * | * | | | trans | -158.1 | 106.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 929 | Q | 28.3 | Very low | 27.9 | Very low | 182 Ų | 182 | 136.7 Ų | 136.7 | 85% | 0.85 | 75% | 0.75 | S | S | * | * | | | trans | -144.8 | 113.9 | 146 | -87.8 | -172.9 | -13.5 | 0 | 0 | 106 | | |
| 930 | R | 27.3 | Very low | 28.4 | Very low | 219 Ų | 219 | 137 Ų | 137 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | | | | 69.2 | 120 | 80.7 | -79.2 | -166.7 | 177.3 | -177.1 | -1 | 111.4 | | |
| 931 | N | 26.4 | Very low | 28.2 | Very low | 135 Ų | 135 | 131.9 Ų | 131.9 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | | | cis | -139.3 | 174.4 | 5.7 | -55.3 | -70.9 | 0 | 0 | 0 | 108.5 | | |
| 932 | S | 26.3 | Very low | 28.2 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | | | cis | -154.7 | 158.3 | 21.4 | -50.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 933 | S | 29.3 | Very low | 27.8 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | | | trans | 59.1 | 105.3 | 175.3 | -149.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 934 | E | 29 | Very low | 28.1 | Very low | 147 Ų | 147 | 139 Ų | 139 | 69% | 0.687 | 73% | 0.728 | S | S | * | * | | | | 51.6 | 135 | 66.5 | -64.3 | -150.8 | 118.7 | 0 | 0 | 112.9 | | |
| 935 | K | 27.8 | Very low | 28.2 | Very low | 147 Ų | 147 | 139 Ų | 139 | 64% | 0.639 | 72% | 0.721 | S | S | * | * | | | cis | 177.7 | -170.5 | -2.8 | -172 | -179.4 | -147.6 | 156.4 | 0 | 104.9 | | |
| 936 | M | 29.6 | Very low | 28.4 | Very low | 145 Ų | 145 | 139.4 Ų | 139.4 | 71% | 0.714 | 72% | 0.723 | S | S | * | * | | | trans | 67.9 | 121.4 | 173.8 | -80.4 | 83.5 | -179.5 | 0 | 0 | 113.5 | | |
| 937 | E | 23.9 | Very low | 28.5 | Very low | 166 Ų | 166 | 136.4 Ų | 136.4 | 78% | 0.776 | 72% | 0.715 | S | S | * | * | | | cis | 58.7 | 108.8 | 18.3 | -165.2 | -170.6 | -168.1 | 0 | 0 | 112.9 | | |
| 938 | N | 26.4 | Very low | 28.6 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 65% | 0.647 | 71% | 0.709 | S | S | * | * | | | trans | 70.7 | 157.1 | -159.3 | -43.8 | -70.1 | 0 | 0 | 0 | 110.2 | | |
| 939 | E | 25.6 | Very low | 28.9 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 71% | 0.71 | 72% | 0.718 | S | S | * | * | | | cis | -113.2 | 115.5 | 33.5 | -62.8 | -174.4 | 132.4 | 0 | 0 | 115.5 | F942 | E939-F942 WeakPolarHBondContact OE1-CE2 3.09Š|
| 940 | N | 39.9 | Very low | 29 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 86% | 0.856 | 72% | 0.72 | S | S | * | * | | | | -121.8 | 65 | 129.3 | -149.4 | 6.6 | 0 | 0 | 0 | 106.8 | | |
| 941 | P | 27.9 | Very low | 29.4 | Very low | 58 Ų | 58 | 143.6 Ų | 143.6 | 38% | 0.377 | 72% | 0.723 | S | S | . | * | | | | -99.7 | 173 | 117.4 | -16 | 32.5 | 0 | 0 | 0 | 110.6 | | |
| 942 | F | 25.5 | Very low | 29.8 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 67% | 0.671 | 72% | 0.716 | S | S | * | * | | | cis | -120.6 | 116.5 | 17.3 | -85.1 | -95.3 | 0 | 0 | 0 | 113.2 | E939 D944 | E939-F942 WeakPolarHBondContact OE1-CE2 3.09Å; F942-D944 HydrophobicContact CD1-CB 4.29Å |
| 943 | R | 28.1 | Very low | 30.6 | Very low | 194 Ų | 194 | 142.5 Ų | 142.5 | 73% | 0.732 | 71% | 0.713 | S | S | * | * | | | | -70.8 | 119.1 | 105.5 | -90.2 | -163.8 | -170.7 | -108.5 | 6.7 | 106.2 | D945 | R943-D945 IonicContact CZ-OD2 3.7Å; R943-D945 IonicContact NH1-OD1 3.63Å; R943-D945 IonicContact NH1-OD2 2.65Å; R943-D945 PolarHBondContact NH1-OD2 3.48Å |
| 944 | D | 30.7 | Very low | 30.7 | Very low | 136 Ų | 136 | 143.2 Ų | 143.2 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | | | | -130 | 137.9 | 96.5 | -88 | -41.1 | 0 | 0 | 0 | 107.2 | F942 | F942-D944 HydrophobicContact CD1-CB 4.29Š|
| 945 | D | 27.9 | Very low | 30.5 | Very low | 99 Ų | 99 | 141.8 Ų | 141.8 | 53% | 0.529 | 72% | 0.72 | S | S | . | * | | | trans | -71.6 | 168.1 | 176.8 | -63.2 | -96.8 | 0 | 0 | 0 | 110.5 | R943 | R943-D945 IonicContact CZ-OD2 3.7Å; R943-D945 IonicContact NH1-OD1 3.63Å; R943-D945 IonicContact NH1-OD2 2.65Å; R943-D945 PolarHBondContact NH1-OD2 3.48Å |
| 946 | V | 31.1 | Very low | 30.5 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 84% | 0.842 | 72% | 0.723 | S | S | * | * | | | trans | 61.4 | 122.3 | 173.4 | -116.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 947 | S | 28.5 | Very low | 30.4 | Very low | 95 Ų | 95 | 140.6 Ų | 140.6 | 66% | 0.664 | 73% | 0.729 | S | S | * | * | | | | -175.3 | 156.3 | 52.6 | 42.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 948 | T | 34.2 | Very low | 30.6 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 77% | 0.767 | 73% | 0.727 | S | S | * | * | | | trans | 56.4 | 98.3 | 149.4 | 47.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 949 | L | 34.1 | Very low | 30.5 | Very low | 155 Ų | 155 | 140.2 Ų | 140.2 | 81% | 0.812 | 73% | 0.733 | S | S | * | * | | | | 115.6 | 136.6 | 99.9 | -169.1 | 67.1 | 0 | 0 | 0 | 118 | | |
| 950 | R | 29.8 | Very low | 30.7 | Very low | 234 Ų | 234 | 139.8 Ų | 139.8 | 88% | 0.883 | 73% | 0.73 | S | S | * | * | | | trans | 79.2 | 148.4 | 162.5 | -98.2 | 176.2 | 172.2 | -166.6 | -3.4 | 119 | | |
| 951 | R | 34.8 | Very low | 30.4 | Very low | 235 Ų | 235 | 140.6 Ų | 140.6 | 89% | 0.887 | 73% | 0.734 | S | S | * | * | | | trans | -98.3 | 148.5 | -171.6 | -61.8 | 174.3 | 176.5 | 140.7 | -2.2 | 111.5 | | |
| 952 | N | 34.9 | Very low | 30.4 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 58% | 0.583 | 76% | 0.756 | S | S | * | * | | | | -7.4 | 140.5 | 127.8 | -60.5 | -27.9 | 0 | 0 | 0 | 115.3 | K978 | N952-K978 PolarHBondContact OD1-NZ 2.8Š|
| 953 | T | 43.8 | Very low | 30.6 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | | | cis | -161.6 | 160.1 | -14.8 | -42.1 | 0 | 0 | 0 | 0 | 105.7 | | |
| 954 | P | 31.4 | Very low | 30.8 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | | | | -148.5 | -166 | 116 | 39 | -21.8 | 0 | 0 | 0 | 113.9 | | |
| 955 | C | 24.5 | Very low | 30.8 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | -76.7 | 161.7 | -165.1 | -55.7 | 0 | 0 | 0 | 0 | 116.8 | | |
| 956 | S | 27.3 | Very low | 30.8 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | 65 | 127.1 | 145.4 | 63.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 957 | I | 28 | Very low | 30.6 | Very low | 165 Ų | 165 | 144.8 Ų | 144.8 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | trans | 75.1 | 157.9 | 141.2 | -67.8 | 169.1 | 0 | 0 | 0 | 116.4 | | |
| 958 | N | 28.1 | Very low | 31.1 | Very low | 136 Ų | 136 | 144.7 Ų | 144.7 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -65.1 | 165.3 | 179.2 | -68.3 | -21.1 | 0 | 0 | 0 | 113 | | |
| 959 | N | 25.4 | Very low | 30.9 | Very low | 144 Ų | 144 | 148.2 Ų | 148.2 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | trans | 91.6 | 116.6 | 160.1 | -55.9 | -20.3 | 0 | 0 | 0 | 118.2 | | |
| 960 | Q | 28.7 | Very low | 31.2 | Very low | 142 Ų | 142 | 146.7 Ų | 146.7 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | | | trans | 54.8 | 99.5 | 137.1 | -54.6 | -167.6 | 24.3 | 0 | 0 | 119.9 | E684 | E684-Q960 PolarHBondContact OE1-NE2 3.19Š|
| 961 | L | 32.8 | Very low | 31.2 | Very low | 178 Ų | 178 | 144 Ų | 144 | 93% | 0.932 | 78% | 0.783 | S | S | * | * | | | | 54.8 | 92.6 | 115 | -163.3 | 74.1 | 0 | 0 | 0 | 118.4 | | |
| 962 | G | 27.8 | Very low | 31 | Very low | 82 Ų | 82 | 139.7 Ų | 139.7 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | | | trans | -156.6 | 151.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 963 | Q | 29.9 | Very low | 30.5 | Very low | 188 Ų | 188 | 137.8 Ų | 137.8 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | | | trans | -115.3 | 135.9 | -175.8 | -59.6 | 177.6 | -3.2 | 0 | 0 | 112.9 | | |
| 964 | K | 33.9 | Very low | 29.7 | Very low | 200 Ų | 200 | 137.5 Ų | 137.5 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | | | | 157.5 | 138.9 | 127.7 | -89.6 | 173.9 | 175.5 | -177.2 | 0 | 115.2 | | |
| 965 | G | 29.3 | Very low | 29.6 | Very low | 64 Ų | 64 | 139.2 Ų | 139.2 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | | | | 85.1 | 91.5 | 121.3 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 966 | I | 29.3 | Very low | 29.6 | Very low | 159 Ų | 159 | 142.9 Ų | 142.9 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | | | | 61.7 | 102.7 | 123.4 | -56.2 | 156.4 | 0 | 0 | 0 | 120.4 | | |
| 967 | M | 26.3 | Very low | 29.7 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | | | | 58.5 | 153.1 | 118.5 | -135.3 | 144.2 | 78.9 | 0 | 0 | 122.1 | | |
| 968 | P | 39.4 | Very low | 29.7 | Very low | 94 Ų | 94 | 141.3 Ų | 141.3 | 61% | 0.61 | 79% | 0.789 | S | S | * | * | | | cis | -135.5 | 166.5 | -29.6 | 34.5 | -15.8 | 0 | 0 | 0 | 117.6 | | |
| 969 | F | 30.1 | Very low | 29.7 | Very low | 199 Ų | 199 | 141.2 Ų | 141.2 | 87% | 0.873 | 79% | 0.789 | S | S | * | * | | | trans | 63.9 | 167.4 | 162.8 | -66 | -59.3 | 0 | 0 | 0 | 117.5 | | |
| 970 | P | 40.2 | Very low | 29.8 | Very low | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | cis | -132.2 | -148.7 | 8.7 | 46.6 | -28.4 | 0 | 0 | 0 | 116.1 | | |
| 971 | E | 29.6 | Very low | 30.4 | Very low | 176 Ų | 176 | 139.4 Ų | 139.4 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | trans | -56.4 | 167.4 | -169.6 | -93.7 | 171.7 | 129.4 | 0 | 0 | 123 | | |
| 972 | V | 29.4 | Very low | 29.9 | Very low | 145 Ų | 145 | 136.7 Ų | 136.7 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | | | trans | 66.9 | 120.8 | 158.2 | 175.5 | 0 | 0 | 0 | 0 | 119.8 | | |
| 973 | G | 25.9 | Very low | 29.9 | Very low | 69 Ų | 69 | 141.1 Ų | 141.1 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | | | trans | 129.1 | 120.4 | 138.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 974 | S | 25.4 | Very low | 29.6 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | trans | 61.1 | 129 | 149.5 | -159.2 | 0 | 0 | 0 | 0 | 121.8 | | |
| 975 | L | 29.5 | Very low | 29.2 | Very low | 161 Ų | 161 | 136.6 Ų | 136.6 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | | | trans | 66.5 | 163.3 | 154.9 | -78.8 | 168 | 0 | 0 | 0 | 120.1 | | |
| 976 | Q | 26.2 | Very low | 29.2 | Very low | 193 Ų | 193 | 139.3 Ų | 139.3 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | | | trans | 64.8 | 139.9 | 178.8 | -74.5 | -166.5 | -16.3 | 0 | 0 | 118.7 | | |
| 977 | A | 28.3 | Very low | 29.4 | Very low | 88 Ų | 88 | 139.4 Ų | 139.4 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | -78.7 | 151.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 978 | K | 28.9 | Very low | 29.5 | Very low | 146 Ų | 146 | 135 Ų | 135 | 64% | 0.635 | 78% | 0.775 | S | S | * | * | | | trans | -162.3 | 102.8 | 137 | -111 | 161 | -178.8 | 176.7 | 0 | 112.8 | N952 | N952-K978 PolarHBondContact OD1-NZ 2.8Š|
| 979 | N | 27.3 | Very low | 29.1 | Very low | 134 Ų | 134 | 134 Ų | 134 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | | | trans | 37.8 | 124.4 | 133.4 | -53.1 | 6.5 | 0 | 0 | 0 | 120.2 | | |
| 980 | T | 27.3 | Very low | 29.1 | Very low | 138 Ų | 138 | 132 Ų | 132 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | | | trans | 68.2 | 158 | 143.7 | 44.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 981 | P | 40.8 | Very low | 28.9 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | | | cis | -124.4 | 167 | -7.1 | 28 | -7.5 | 0 | 0 | 0 | 115.4 | | |
| 982 | C | 22.1 | Very low | 29.1 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | | | trans | 8 | 124.7 | 152.1 | -49.9 | 0 | 0 | 0 | 0 | 119.6 | | |
| 983 | L | 28.3 | Very low | 29.2 | Very low | 176 Ų | 176 | 126.9 Ų | 126.9 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | | | | -149.6 | 170.4 | 117.5 | -113.5 | 167.8 | 0 | 0 | 0 | 111.6 | | |
| 984 | K | 25 | Very low | 29.6 | Very low | 176 Ų | 176 | 131.5 Ų | 131.5 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | | | trans | -82.5 | 171.6 | -167.7 | -142.2 | -176.8 | 179 | -172 | 0 | 111.7 | | |
| 985 | N | 24.6 | Very low | 30.1 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 62% | 0.62 | 78% | 0.775 | S | S | * | * | | | trans | 72.5 | 150.2 | 163.3 | -71 | 43 | 0 | 0 | 0 | 115.3 | | |
| 986 | D | 29.1 | Very low | 30.3 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 65% | 0.652 | 78% | 0.776 | S | S | * | * | | | cis | -156.3 | 166.6 | 4.8 | -119.9 | -29.7 | 0 | 0 | 0 | 113.2 | | |
| 987 | L | 33.7 | Very low | 30.4 | Very low | 160 Ų | 160 | 134.3 Ų | 134.3 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | | | trans | 56.5 | 117 | 150.9 | -65 | 164.6 | 0 | 0 | 0 | 123.1 | | |
| 988 | G | 29.3 | Very low | 30.6 | Very low | 80 Ų | 80 | 136.9 Ų | 136.9 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | | | | 104.4 | 142.9 | 114.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 989 | G | 30.1 | Very low | 30.8 | Very low | 74 Ų | 74 | 135.2 Ų | 135.2 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | | | trans | 93.3 | 112 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 990 | D | 29.7 | Very low | 30.8 | Very low | 156 Ų | 156 | 136.2 Ų | 136.2 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | | | | 71.3 | 127.4 | 50.9 | -163.1 | 17 | 0 | 0 | 0 | 113.5 | N992 | D990-N992 PolarHBondContact OD1-ND2 2.81Š|
| 991 | G | 36.3 | Very low | 30.7 | Very low | 72 Ų | 72 | 133.7 Ų | 133.7 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | | | trans | 160.1 | 79.2 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 992 | N | 33.9 | Very low | 30.3 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 69% | 0.69 | 73% | 0.727 | S | S | * | * | | | trans | -74.7 | 159.4 | -171 | -63.7 | -79.5 | 0 | 0 | 0 | 116.4 | D990 | D990-N992 PolarHBondContact OD1-ND2 2.81Š|
| 993 | N | 32.1 | Very low | 30.8 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | | | trans | 69.4 | 102.8 | 148 | -63 | -15.2 | 0 | 0 | 0 | 121.5 | | |
| 994 | I | 34.9 | Very low | 30.8 | Very low | 166 Ų | 166 | 131 Ų | 131 | 85% | 0.851 | 71% | 0.714 | S | S | * | * | | | | 46.1 | 132.6 | 107.3 | -60.9 | 175.6 | 0 | 0 | 0 | 118.7 | | |
| 995 | L | 35.3 | Very low | 30.9 | Very low | 163 Ų | 163 | 128.1 Ų | 128.1 | 85% | 0.853 | 71% | 0.707 | S | S | * | * | | | trans | -79.4 | 176.1 | -171.9 | -142.7 | 75 | 0 | 0 | 0 | 115.5 | | |
| 996 | E | 33.3 | Very low | 31.1 | Very low | 182 Ų | 182 | 128.5 Ų | 128.5 | 85% | 0.85 | 71% | 0.705 | S | S | * | * | | | trans | -79.9 | 169.2 | -167.3 | -59.6 | 168 | 127.8 | 0 | 0 | 115.6 | | |
| 997 | Q | 28.6 | Very low | 31.2 | Very low | 176 Ų | 176 | 132.4 Ų | 132.4 | 82% | 0.822 | 71% | 0.71 | S | S | * | * | | | trans | -116.5 | 136.4 | 168.5 | 174 | -170.3 | 20.9 | 0 | 0 | 107.9 | | |
| 998 | I | 32.3 | Very low | 30.9 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 73% | 0.728 | 70% | 0.704 | S | S | * | * | | | trans | 163.4 | 174.9 | 153.6 | -86.7 | 155.8 | 0 | 0 | 0 | 111.5 | | |
| 999 | F | 32.2 | Very low | 30.9 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 49% | 0.487 | 70% | 0.704 | S | S | . | * | | | trans | -124.9 | 174.8 | -168.2 | -77.5 | -128.1 | 0 | 0 | 0 | 112.8 | F201 G202 | F201-F999 VanDerWaalsContact C-CE1 3.4Å; F201-F999 VanDerWaalsContact C-CZ 3.41Å; F201-F999 HydrophobicContact CB-CD1 4.43Å; F201-F999 HydrophobicContact CB-CE1 3.78Å; F201-F999 HydrophobicContact CB-CZ 4.37Å; F201-F999 WeakPolarHBondContact O-CE1 3.3Å; F201-F999 WeakPolarHBondContact O-CE2 3.12Å; F201-F999 WeakPolarHBondContact O-CZ 3.46Å; G202-F999 CarbonylContact O-C 3.27Å; G202-F999 WeakPolarHBondContact O-CA 3.44Å; G202-F999 VanDerWaalsContact O-CB 3.28Å; G202-F999 WeakPolarHBondContact O-CB 3.23Å |
| 1000 | E | 28.6 | Very low | 30.8 | Very low | 154 Ų | 154 | 136.3 Ų | 136.3 | 72% | 0.72 | 71% | 0.705 | S | S | * | * | | | trans | 68.3 | 120.6 | 167.7 | -67 | 178.8 | -119.3 | 0 | 0 | 119.1 | G202 H204 | G202-E1000 PolarHBondContact O-N 2.9Å; H204-E1000 CarbonylContact C-O 2.9Å; H204-E1000 WeakPolarHBondContact CA-O 2.95Å; H204-E1000 WeakPolarHBondContact CB-O 3.41Å; H204-E1000 PolarHBondContact N-O 2.94Å |
| 1001 | D | 25.3 | Very low | 31 | Very low | 85 Ų | 85 | 136 Ų | 136 | 46% | 0.455 | 70% | 0.702 | S | S | . | * | | | cis | -163.3 | 137.8 | 3.4 | 179.5 | 43 | 0 | 0 | 0 | 114.9 | Y203 H204 | Y203-D1001 VanDerWaalsContact CB-CA 3.4Å; Y203-D1001 WeakPolarHBondContact CD2-OD1 3.22Å; Y203-D1001 WeakPolarHBondContact CE2-OD1 3.2Å; H204-D1001 PolarHBondContact CD2-O 3.43Å; H204-D1001 PolarHBondContact NE2-O 2.99Å; H204-D1001 VanDerWaalsContact NE2-O 3.11Å |
| 1002 | N | 32.1 | Very low | 30.8 | Very low | 59 Ų | 59 | 138.8 Ų | 138.8 | 32% | 0.316 | 71% | 0.705 | S | S | . | * | | | trans | 88.4 | 123.4 | 150.8 | -90.9 | -42.3 | 0 | 0 | 0 | 127.5 | Y203 H204 | Y203-N1002 VanDerWaalsContact CD1-N 3.34Å; Y203-N1002 PolarHBondContact OH-OD1 2.86Å; Y203-N1002 VanDerWaalsContact OH-OD1 3.05Å; H204-N1002 VanDerWaalsContact NE2-CA 3.34Å; H204-N1002 WeakPolarHBondContact NE2-CA 3.29Å; H204-N1002 PolarHBondContact NE2-N 2.88Å; H204-N1002 PolarHBondContact NE2-O 3.3Å |
| 1003 | Q | 31.5 | Very low | 31.3 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 62% | 0.621 | 70% | 0.702 | S | S | * | * | | | | 44.1 | 133.3 | 129 | -79.3 | -178.3 | 79.1 | 0 | 0 | 127 | | |
| 1004 | L | 28.2 | Very low | 31.1 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 83% | 0.832 | 70% | 0.696 | S | S | * | * | | | | -139.8 | 160.5 | 110.7 | -62.1 | 178.8 | 0 | 0 | 0 | 106.4 | | |
| 1005 | N | 28.7 | Very low | 30.9 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 62% | 0.615 | 69% | 0.686 | S | S | * | * | | | cis | -160 | 167.1 | -10.2 | -123.7 | 40.6 | 0 | 0 | 0 | 105.9 | | |
| 1006 | E | 28.8 | Very low | 30.6 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 58% | 0.575 | 69% | 0.685 | S | S | * | * | | | cis | -157 | 152.2 | 0.2 | -157.8 | 179.7 | 135.5 | 0 | 0 | 109.2 | | |
| 1007 | R | 30.2 | Very low | 30.3 | Very low | 204 Ų | 204 | 131.9 Ų | 131.9 | 77% | 0.77 | 68% | 0.676 | S | S | * | * | | | trans | 43.5 | 111.6 | 160.9 | -78.1 | 169.8 | 166.6 | 124.6 | -2.8 | 118.7 | | |
| 1008 | T | 28.2 | Very low | 30.3 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 71% | 0.712 | 68% | 0.679 | S | S | * | * | | | | 65.7 | 119.7 | 51.6 | -42.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1009 | V | 28.1 | Very low | 30.1 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 81% | 0.806 | 68% | 0.679 | S | S | * | * | | | trans | -130.4 | 122 | 169.7 | 173.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 1010 | D | 29.4 | Very low | 30 | Very low | 147 Ų | 147 | 129.7 Ų | 129.7 | 79% | 0.786 | 70% | 0.697 | S | S | * | * | | | trans | -90.2 | 161.2 | 175.2 | -71.4 | -57.2 | 0 | 0 | 0 | 112.3 | | |
| 1011 | L | 32.4 | Very low | 30.6 | Very low | 150 Ų | 150 | 127.5 Ų | 127.5 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | | | trans | -114.8 | 171.6 | -165.2 | -72.5 | 167.7 | 0 | 0 | 0 | 114 | | |
| 1012 | T | 33.7 | Very low | 30.7 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 80% | 0.798 | 71% | 0.711 | S | S | * | * | | | trans | 90.8 | 163 | 157.3 | 78.6 | 0 | 0 | 0 | 0 | 117.4 | | |
| 1013 | P | 42.6 | Very low | 30.6 | Very low | 98 Ų | 98 | 135.9 Ų | 135.9 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | | | | -135.8 | -163.5 | -64.7 | 40.2 | -24.1 | 0 | 0 | 0 | 113.6 | | |
| 1014 | E | 29.6 | Very low | 30.4 | Very low | 126 Ų | 126 | 133 Ų | 133 | 59% | 0.589 | 74% | 0.742 | S | S | * | * | | | trans | 103.8 | 104.7 | 160.9 | -57.4 | -122.8 | 102.7 | 0 | 0 | 120.1 | Y717 | Y717-E1014 PolarHBondContact OH-OE1 3.09Š|
| 1015 | Q | 28.9 | Very low | 30.4 | Very low | 137 Ų | 137 | 131.1 Ų | 131.1 | 64% | 0.64 | 74% | 0.742 | S | S | * | * | | | trans | 47.3 | 115.8 | 130.2 | -51.2 | -172 | 47.5 | 0 | 0 | 121.8 | | |
| 1016 | L | 30.1 | Very low | 30.5 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | | | | 164.9 | 101.2 | 120.8 | -86 | 164.3 | 0 | 0 | 0 | 108.7 | | |
| 1017 | V | 26.4 | Very low | 30.8 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 68% | 0.679 | 76% | 0.76 | S | S | * | * | | | | 100.5 | 125.9 | 69.1 | 155.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1018 | I | 29.4 | Very low | 30.9 | Very low | 172 Ų | 172 | 132 Ų | 132 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | | | trans | 71 | 126.6 | 177 | -62.2 | 156.6 | 0 | 0 | 0 | 115.5 | | |
| 1019 | G | 27.8 | Very low | 30.8 | Very low | 71 Ų | 71 | 130 Ų | 130 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | | | cis | -175.5 | 165.5 | -3.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1020 | T | 30.3 | Very low | 30.9 | Very low | 141 Ų | 141 | 131.5 Ų | 131.5 | 87% | 0.865 | 77% | 0.771 | S | S | * | * | | | trans | -69.3 | 170.5 | 167.3 | 42.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1021 | P | 40.7 | Very low | 30.8 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | | | cis | -141.2 | -158.4 | 30.2 | 47 | -26.1 | 0 | 0 | 0 | 114 | | |
| 1022 | D | 26.9 | Very low | 30.4 | Very low | 144 Ų | 144 | 131.6 Ų | 131.6 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | cis | -156.9 | 176.4 | 5.8 | -126.9 | -32.4 | 0 | 0 | 0 | 108 | | |
| 1023 | E | 31.3 | Very low | 30.1 | Very low | 176 Ų | 176 | 133.9 Ų | 133.9 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | cis | -153.4 | 152.5 | 1.2 | 178 | -179.4 | -174.3 | 0 | 0 | 109.3 | | |
| 1024 | G | 26.8 | Very low | 29.5 | Very low | 73 Ų | 73 | 135.8 Ų | 135.8 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | | | trans | 107.7 | 133.4 | 148.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 1025 | S | 28.8 | Very low | 29.2 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | cis | -139 | 163.1 | 11.4 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1026 | N | 30.2 | Very low | 29 | Very low | 152 Ų | 152 | 137.2 Ų | 137.2 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 156.9 | -171.4 | -58.9 | -62.8 | 0 | 0 | 0 | 114.1 | | |
| 1027 | P | 34.8 | Very low | 28.6 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 157 | 153.2 | 35.5 | -32.7 | 0 | 0 | 0 | 112.1 | | |
| 1028 | E | 31.6 | Very low | 28.8 | Very low | 191 Ų | 191 | 140.1 Ų | 140.1 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 146.8 | -173.5 | -84 | 80.4 | 170.5 | 0 | 0 | 116.8 | | |
| 1029 | G | 27.8 | Very low | 28.6 | Very low | 75 Ų | 75 | 137.5 Ų | 137.5 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | 175.7 | 51.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1030 | I | 29.2 | Very low | 28.6 | Very low | 164 Ų | 164 | 142.4 Ų | 142.4 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | | | trans | -104.2 | 119.3 | -177.1 | -44.9 | 179.4 | 0 | 0 | 0 | 111.8 | | |
| 1031 | Q | 26.7 | Very low | 28.6 | Very low | 185 Ų | 185 | 145.5 Ų | 145.5 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | | | | 167.4 | 117.1 | 119.1 | -90.5 | -173.6 | 26.8 | 0 | 0 | 112.3 | | |
| 1032 | S | 25.1 | Very low | 28.1 | Very low | 113 Ų | 113 | 147.4 Ų | 147.4 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | | -170.3 | 135.3 | 111.8 | 63.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1033 | Q | 26.2 | Very low | 28 | Very low | 179 Ų | 179 | 147.6 Ų | 147.6 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | | | trans | 99.1 | 76.8 | 142.5 | -152.8 | 156.1 | 39.3 | 0 | 0 | 121.2 | | |
| 1034 | V | 30 | Very low | 27.8 | Very low | 137 Ų | 137 | 147 Ų | 147 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | | | | 41.2 | 117.9 | 124.7 | -173.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 1035 | Q | 24.3 | Very low | 27.8 | Very low | 165 Ų | 165 | 154.9 Ų | 154.9 | 77% | 0.771 | 80% | 0.796 | S | S | * | * | | | trans | -131.2 | 142.7 | 147.9 | -176.2 | 167.4 | -21.8 | 0 | 0 | 104.7 | | |
| 1036 | E | 23.6 | Very low | 28.5 | Very low | 129 Ų | 129 | 153.9 Ų | 153.9 | 60% | 0.603 | 79% | 0.787 | S | S | * | * | | | cis | -138.6 | 156.3 | 28.1 | -137.7 | 137.9 | -129.1 | 0 | 0 | 109.5 | | |
| 1037 | N | 23.1 | Very low | 28.3 | Very low | 152 Ų | 152 | 151.1 Ų | 151.1 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | | -154.5 | 151.5 | 71.1 | -86.5 | -82.4 | 0 | 0 | 0 | 112.9 | | |
| 1038 | E | 30.3 | Very low | 27.8 | Very low | 180 Ų | 180 | 151.8 Ų | 151.8 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | | | trans | -71.5 | 140.2 | 169.7 | -58 | -175 | 112.7 | 0 | 0 | 112 | | |
| 1039 | S | 25.9 | Very low | 27.7 | Very low | 116 Ų | 116 | 149.3 Ų | 149.3 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | | | trans | -157.4 | 122.9 | 139.5 | -6.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1040 | E | 27 | Very low | 27.7 | Very low | 174 Ų | 174 | 152.3 Ų | 152.3 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | trans | -4.1 | 124.8 | 164.4 | -45.4 | -173.9 | 131.3 | 0 | 0 | 118.9 | | |
| 1041 | R | 30.1 | Very low | 27.6 | Very low | 206 Ų | 206 | 152.1 Ų | 152.1 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | | | | -176.7 | 140.3 | 94.5 | -96.9 | 174.3 | -175.7 | -174.3 | 1.4 | 115.9 | | |
| 1042 | Q | 29.2 | Very low | 27.7 | Very low | 147 Ų | 147 | 150.8 Ų | 150.8 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | | | trans | 56.7 | 105.2 | 141.3 | -65.7 | -180 | -18.5 | 0 | 0 | 122.2 | | |
| 1043 | Q | 26.6 | Very low | 28.4 | Very low | 149 Ų | 149 | 150.4 Ų | 150.4 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | | | | 80.2 | 145 | 120.3 | -65.9 | -173.3 | 14.4 | 0 | 0 | 122.6 | | |
| 1044 | Q | 27.4 | Very low | 28.3 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | | | trans | 61.9 | 96.2 | 154.8 | -66.9 | 167.7 | 39.8 | 0 | 0 | 117.3 | | |
| 1045 | R | 24.8 | Very low | 28.3 | Very low | 237 Ų | 237 | 150.2 Ų | 150.2 | 89% | 0.894 | 75% | 0.751 | S | S | * | * | | | | 46.5 | 135.5 | 53.4 | -133 | -137.6 | 177.2 | 165.7 | 1.3 | 113.6 | | |
| 1046 | P | 43.8 | Very low | 28.3 | Very low | 98 Ų | 98 | 146.1 Ų | 146.1 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | | | | -138.4 | -169.2 | -51.6 | 36.3 | -17.6 | 0 | 0 | 0 | 113.5 | | |
| 1047 | S | 26 | Very low | 28.3 | Very low | 94 Ų | 94 | 145.8 Ų | 145.8 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | | | trans | 110.2 | 129.4 | 142 | -59.6 | 0 | 0 | 0 | 0 | 121.5 | | |
| 1048 | N | 24.8 | Very low | 28.7 | Very low | 132 Ų | 132 | 147.6 Ų | 147.6 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | | | trans | 75.1 | 117.8 | 133.7 | -67.8 | 4.9 | 0 | 0 | 0 | 120.3 | | |
| 1049 | I | 29.8 | Very low | 28.8 | Very low | 139 Ų | 139 | 146.9 Ų | 146.9 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | | | | 71.4 | 122.1 | 90.1 | -65.4 | 166.3 | 0 | 0 | 0 | 111.1 | | |
| 1050 | L | 28.5 | Very low | 29 | Very low | 139 Ų | 139 | 146.2 Ų | 146.2 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | | | | -167.3 | 141.4 | 63.7 | -136.8 | 146.2 | 0 | 0 | 0 | 112.3 | | |
| 1051 | H | 25.8 | Very low | 29.1 | Very low | 160 Ų | 160 | 146.4 Ų | 146.4 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | | | trans | 35.5 | 122.7 | 158.5 | -66 | -165.3 | 0 | 0 | 0 | 124.5 | | |
| 1052 | L | 28.8 | Very low | 29 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | | | | 23 | 155.4 | 111.3 | -66.9 | 171.5 | 0 | 0 | 0 | 121.6 | | |
| 1053 | P | 39.7 | Very low | 29 | Very low | 104 Ų | 104 | 145.6 Ų | 145.6 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | | | cis | -147.9 | -170.6 | -18.9 | 41.4 | -20.6 | 0 | 0 | 0 | 117.6 | | |
| 1054 | C | 24.6 | Very low | 29 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 71% | 0.709 | 77% | 0.774 | S | S | * | * | | | trans | 86.9 | 114.9 | 145.2 | -71.6 | 0 | 0 | 0 | 0 | 125.2 | | |
| 1055 | F | 29.6 | Very low | 28.9 | Very low | 207 Ų | 207 | 141.4 Ų | 141.4 | 91% | 0.908 | 78% | 0.776 | S | S | * | * | | | trans | 55 | 111.1 | 136.6 | -67.1 | -71.1 | 0 | 0 | 0 | 124.2 | | |
| 1056 | G | 25.3 | Very low | 28.8 | Very low | 80 Ų | 80 | 135.3 Ų | 135.3 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | | | trans | -84.6 | -160.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 1057 | S | 23.9 | Very low | 28.1 | Very low | 121 Ų | 121 | 137 Ų | 137 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | -164.7 | 147.9 | 165.4 | 65.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1058 | K | 31.7 | Very low | 28.2 | Very low | 190 Ų | 190 | 136 Ų | 136 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | | | trans | 25.3 | 120.8 | 156.6 | -71.9 | -176.9 | 176.1 | 178 | 0 | 124.4 | | |
| 1059 | L | 31.4 | Very low | 28.4 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | | 51.5 | 114.7 | 123.6 | -73.5 | 163.4 | 0 | 0 | 0 | 122.7 | | |
| 1060 | A | 29.3 | Very low | 28.7 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | trans | -150.9 | 174.7 | 142.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1061 | K | 29.8 | Very low | 28.6 | Very low | 177 Ų | 177 | 134.3 Ų | 134.3 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | | | trans | -130.6 | 142.9 | -167.1 | -107.1 | -176.5 | 172.5 | -169.5 | 0 | 113.6 | | |
| 1062 | H | 28.7 | Very low | 28.7 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 68% | 0.681 | 80% | 0.801 | S | S | * | * | | | trans | 54.9 | 126.4 | 162.6 | -49.3 | -58.8 | 0 | 0 | 0 | 116.9 | | |
| 1063 | H | 29.9 | Very low | 28.6 | Very low | 189 Ų | 189 | 133 Ų | 133 | 88% | 0.875 | 81% | 0.806 | S | S | * | * | | | | -157 | 166.4 | 70.7 | -88.9 | -87.7 | 0 | 0 | 0 | 112.9 | | |
| 1064 | S | 26 | Very low | 28.2 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | | | trans | -67.6 | 163.4 | 171 | -40.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1065 | S | 24.6 | Very low | 28.2 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | | | cis | -152.8 | 175.2 | 26 | -62.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1066 | S | 23.6 | Very low | 28.1 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | | | trans | -39.8 | 136.7 | 169.8 | 174.5 | 0 | 0 | 0 | 0 | 115.6 | | |
| 1067 | T | 28 | Very low | 28 | Very low | 133 Ų | 133 | 137 Ų | 137 | 82% | 0.816 | 81% | 0.81 | S | S | * | * | | | | 176.5 | 134.6 | 103.6 | -66.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1068 | G | 28.8 | Very low | 28.7 | Very low | 74 Ų | 74 | 135.8 Ų | 135.8 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | | | trans | 85.3 | 104.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 1069 | T | 28.6 | Very low | 28.4 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | | | trans | -76.6 | 170.1 | 148.3 | 44.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1070 | P | 36.3 | Very low | 28.4 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | | | cis | -136.1 | -161 | 11.7 | 44.1 | -26.2 | 0 | 0 | 0 | 114.7 | | |
| 1071 | S | 26.6 | Very low | 28.3 | Very low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | | | trans | 87.8 | 130.3 | 159.5 | -159.1 | 0 | 0 | 0 | 0 | 118 | | |
| 1072 | S | 26.6 | Very low | 28.2 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | -139.6 | 107.1 | 168.9 | 61.3 | 0 | 0 | 0 | 0 | 110 | | |
| 1073 | N | 27.3 | Very low | 28.2 | Very low | 171 Ų | 171 | 130.6 Ų | 130.6 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | | | trans | -143.9 | 108.2 | 173.1 | -131.9 | -8.9 | 0 | 0 | 0 | 106.5 | | |
| 1074 | G | 30.6 | Very low | 28.1 | Very low | 79 Ų | 79 | 129.8 Ų | 129.8 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | | | trans | -174.4 | 154.3 | -169 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1075 | R | 26.5 | Very low | 28.2 | Very low | 223 Ų | 223 | 132.3 Ų | 132.3 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | | | trans | -140 | 161.3 | -165.4 | -144.6 | -174.8 | -175.7 | -141.1 | 3.6 | 110.9 | | |
| 1076 | Q | 27.1 | Very low | 28.7 | Very low | 171 Ų | 171 | 131.5 Ų | 131.5 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | | | trans | 82.5 | 146.7 | 161.5 | -66.1 | 162.6 | -83.8 | 0 | 0 | 119.2 | | |
| 1077 | S | 22.7 | Very low | 29 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | -96 | -163.5 | 172.8 | 56.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1078 | P | 39.1 | Very low | 29 | Very low | 96 Ų | 96 | 133.8 Ų | 133.8 | 62% | 0.623 | 78% | 0.783 | S | S | * | * | | | cis | -144.6 | -168.2 | 8.1 | 45.7 | -25.6 | 0 | 0 | 0 | 117.2 | | |
| 1079 | F | 25.6 | Very low | 29 | Very low | 192 Ų | 192 | 136.3 Ų | 136.3 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | | | trans | 48.6 | 117.1 | 153.4 | -68.6 | -61.9 | 0 | 0 | 0 | 121.5 | | |
| 1080 | D | 30.4 | Very low | 29.6 | Very low | 169 Ų | 169 | 135.2 Ų | 135.2 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | | | | -170.7 | 158.8 | 118.7 | -91.1 | -23.1 | 0 | 0 | 0 | 108.6 | | |
| 1081 | G | 27.1 | Very low | 29.3 | Very low | 59 Ų | 59 | 136.2 Ų | 136.2 | 61% | 0.608 | 77% | 0.774 | S | S | * | * | | | cis | 138.8 | 60.5 | -7.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 1082 | D | 28.1 | Very low | 29.4 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | | | trans | 170.8 | 170 | 149 | -97 | -26.6 | 0 | 0 | 0 | 113.5 | | |
| 1083 | S | 28.6 | Very low | 29.6 | Very low | 92 Ų | 92 | 139.9 Ų | 139.9 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | | | | -171.6 | 120.8 | -69.6 | 54.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1084 | I | 27.8 | Very low | 29.7 | Very low | 172 Ų | 172 | 138.3 Ų | 138.3 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | | | trans | -146.4 | 128.9 | 153 | -52.8 | -178.1 | 0 | 0 | 0 | 109.7 | | |
| 1085 | M | 28.5 | Very low | 29.4 | Very low | 163 Ų | 163 | 142 Ų | 142 | 80% | 0.803 | 77% | 0.772 | S | S | * | * | | | trans | -137.9 | 171.7 | 168.2 | -93.5 | -85.4 | 87.2 | 0 | 0 | 106 | | |
| 1086 | P | 35.8 | Very low | 29.4 | Very low | 98 Ų | 98 | 138.5 Ų | 138.5 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | | | cis | -149.7 | -168.3 | 29.6 | 36.2 | -10.4 | 0 | 0 | 0 | 117.5 | | |
| 1087 | T | 28 | Very low | 29.4 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 63% | 0.632 | 77% | 0.766 | S | S | * | * | | | trans | 68.2 | 116.2 | 144.4 | 41.2 | 0 | 0 | 0 | 0 | 123.4 | | |
| 1088 | E | 29.5 | Very low | 29.8 | Very low | 188 Ų | 188 | 136.7 Ų | 136.7 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | | | | 71.1 | 151.8 | 120.5 | -66.6 | 178.5 | 141.4 | 0 | 0 | 123.6 | | |
| 1089 | N | 28.2 | Very low | 29.2 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 68% | 0.684 | 78% | 0.782 | S | S | * | * | | | trans | -128.9 | 137.5 | -178.2 | 166.3 | 36.3 | 0 | 0 | 0 | 107.6 | | |
| 1090 | P | 40.3 | Very low | 30 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | | | | -145.1 | 163.6 | 122.3 | 36.7 | -22.1 | 0 | 0 | 0 | 115.4 | | |
| 1091 | N | 30.5 | Very low | 30.1 | Very low | 142 Ų | 142 | 135.6 Ų | 135.6 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | | | trans | -87.8 | 145.8 | 173.8 | -50.9 | -72.5 | 0 | 0 | 0 | 112.4 | | |
| 1092 | T | 30.1 | Very low | 30.3 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | trans | -152.8 | 175.9 | 157.3 | 0.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1093 | L | 29 | Very low | 30.7 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | | | trans | -107.4 | -167.6 | -160.2 | -71.8 | 159.2 | 0 | 0 | 0 | 114.6 | | |
| 1094 | V | 29.3 | Very low | 30.5 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | | | trans | 92.8 | 147.6 | 172.9 | -174.4 | 0 | 0 | 0 | 0 | 115 | | |
| 1095 | E | 26.1 | Very low | 30.5 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | | -174.5 | 135.1 | -56.6 | 175.6 | 171.8 | 178.7 | 0 | 0 | 108.3 | | |
| 1096 | L | 25.8 | Very low | 30.6 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | | | trans | 50.9 | 115.9 | 164.8 | -71.8 | 168.4 | 0 | 0 | 0 | 122.8 | | |
| 1097 | A | 26.9 | Very low | 30.1 | Very low | 88 Ų | 88 | 141.7 Ų | 141.7 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | | 90.6 | 136.8 | 127.1 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1098 | T | 30.4 | Very low | 30.7 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 93% | 0.933 | 81% | 0.809 | S | S | * | * | | | trans | 75.2 | 87.4 | 164.5 | -18.3 | 0 | 0 | 0 | 0 | 117 | | |
| 1099 | G | 27.8 | Very low | 31.1 | Very low | 76 Ų | 76 | 140.4 Ų | 140.4 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 174.3 | 177.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1100 | E | 41.1 | Very low | 31.1 | Very low | 192 Ų | 192 | 142 Ų | 142 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -68.4 | 177.9 | 161.6 | -63.3 | 167.1 | 106.7 | 0 | 0 | 110.3 | | |
| 1101 | Q | 33.9 | Very low | 30.5 | Very low | 167 Ų | 167 | 143.5 Ų | 143.5 | 78% | 0.78 | 81% | 0.81 | S | S | * | * | | | trans | 88.1 | 143.1 | 167.7 | -137.9 | -178.1 | 44.2 | 0 | 0 | 118.1 | | |
| 1102 | F | 29.9 | Very low | 30.5 | Very low | 176 Ų | 176 | 141.3 Ų | 141.3 | 77% | 0.772 | 81% | 0.812 | S | S | * | * | | | trans | 75.9 | 155.1 | 165.5 | -74.1 | -66.1 | 0 | 0 | 0 | 123 | | |
| 1103 | K | 37.3 | Very low | 30.3 | Very low | 188 Ų | 188 | 138.2 Ų | 138.2 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | | | trans | -58.6 | 162 | -162.9 | -58.6 | 168.4 | 177.2 | 176.5 | 0 | 116.5 | | |
| 1104 | S | 23.5 | Very low | 30.3 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | -121.3 | 151.9 | 143 | 59.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1105 | T | 28.5 | Very low | 30.3 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | | | trans | -138.7 | 148.5 | 166.4 | -61.9 | 0 | 0 | 0 | 0 | 105.9 | | |
| 1106 | N | 30.7 | Very low | 31 | Very low | 163 Ų | 163 | 139 Ų | 139 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | | | trans | -55.9 | 141.3 | -176.2 | -64.8 | -18.4 | 0 | 0 | 0 | 113.3 | | |
| 1107 | A | 25 | Very low | 31.3 | Very low | 95 Ų | 95 | 135.3 Ų | 135.3 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | -149.8 | 136.5 | 150.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 1108 | D | 40.7 | Very low | 31.4 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | | | trans | -68 | 172.2 | 177.9 | -59.6 | -70.2 | 0 | 0 | 0 | 112.4 | | |
| 1109 | P | 37.7 | Very low | 31.3 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | | | | -144.5 | 138.5 | 104.2 | 34 | -18.7 | 0 | 0 | 0 | 116.6 | | |
| 1110 | L | 28.2 | Very low | 31.3 | Very low | 162 Ų | 162 | 136.3 Ų | 136.3 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | | | trans | 64.6 | 137.8 | 135.6 | -62.2 | 172.8 | 0 | 0 | 0 | 118.4 | | |
| 1111 | D | 28.7 | Very low | 30.8 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 78% | 0.775 | 72% | 0.724 | S | S | * | * | | | cis | 172.5 | 175.1 | 13.1 | 173.8 | 32.4 | 0 | 0 | 0 | 107 | | |
| 1112 | A | 29.4 | Very low | 30.6 | Very low | 97 Ų | 97 | 127.4 Ų | 127.4 | 80% | 0.802 | 71% | 0.709 | S | S | * | * | | | trans | 66 | 139.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 1113 | G | 25.9 | Very low | 30.6 | Very low | 78 Ų | 78 | 126.3 Ų | 126.3 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | | | trans | 138.1 | 85.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1114 | E | 29 | Very low | 30.2 | Very low | 198 Ų | 198 | 119.7 Ų | 119.7 | 93% | 0.925 | 69% | 0.685 | S | S | * | * | | | trans | -57.1 | 172.3 | -171.4 | -62.7 | 168.8 | 121.4 | 0 | 0 | 118.1 | | |
| 1115 | H | 29.8 | Very low | 30.5 | Very low | 183 Ų | 183 | 117.8 Ų | 117.8 | 85% | 0.847 | 67% | 0.668 | S | S | * | * | | | trans | -79.9 | 142.5 | -174.2 | -67.2 | -86.9 | 0 | 0 | 0 | 115.3 | | |
| 1116 | S | 40.3 | Very low | 30.6 | Very low | 96 Ų | 96 | 115.5 Ų | 115.5 | 67% | 0.671 | 65% | 0.652 | S | S | * | * | | | trans | 5.5 | 120.8 | 154.2 | 59.6 | 0 | 0 | 0 | 0 | 120.7 | | |
| 1117 | P | 32.5 | Very low | 30.5 | Very low | 72 Ų | 72 | 111.3 Ų | 111.3 | 47% | 0.468 | 64% | 0.64 | S | S | . | * | | | trans | -86.6 | 169.3 | 143 | 37.9 | -32.9 | 0 | 0 | 0 | 111 | S844 F845 | S844-P1117 CarbonylContact O-C 3.39Å; S844-P1117 VanDerWaalsContact O-C 3.31Å; F845-P1117 CarbonylContact C-O 3.12Å |
| 1118 | F | 28.1 | Very low | 31.3 | Very low | 159 Ų | 159 | 116.2 Ų | 116.2 | 70% | 0.697 | 65% | 0.646 | S | S | * | * | | | cis | -174.2 | -66.2 | -30.5 | -147.2 | -127.7 | 0 | 0 | 0 | 111.8 | S844 | S844-F1118 CarbonylContact O-C 3.31Å; S844-F1118 VanDerWaalsContact O-CA 3.29Å; S844-F1118 WeakPolarHBondContact O-CA 3.41Å; S844-F1118 VanDerWaalsContact O-CB 3.29Å; S844-F1118 WeakPolarHBondContact O-CB 2.96Å; S844-F1118 PolarHBondContact O-N 3.38Å |
| 1119 | E | 28.8 | Very low | 31 | Very low | 60 Ų | 60 | 115.9 Ų | 115.9 | 28% | 0.28 | 64% | 0.644 | S | S | . | * | | | trans | -156.5 | 139.3 | -151.1 | -85.5 | -173.6 | 161.2 | 0 | 0 | 119.7 | S843 S844 F845 | S843-E1119 PolarHBondContact N-OE2 2.78Å; S844-E1119 CarbonylContact C-O 3.19Å; S844-E1119 WeakPolarHBondContact CA-O 2.95Å; S844-E1119 PolarHBondContact O-N 2.65Å; F845-E1119 PolarHBondContact N-O 2.93Å |
| 1120 | F | 28.1 | Very low | 31 | Very low | 118 Ų | 118 | 119 Ų | 119 | 52% | 0.518 | 65% | 0.649 | S | S | . | * | | | | 101.2 | 139.9 | 119.5 | -91.6 | -138.7 | 0 | 0 | 0 | 127.1 | H842 F845 | H842-F1120 WeakPolarHBondContact O-CB 3.41Å; H842-F1120 VanDerWaalsContact O-CD1 3.22Å; H842-F1120 WeakPolarHBondContact O-CD1 3.39Å; F845-F1120 WeakPolarHBondContact CE2-O 3.49Å; F845-F1120 WeakPolarHBondContact CZ-O 3.03Å |
| 1121 | L | 31.2 | Very low | 31.3 | Very low | 70 Ų | 70 | 117.1 Ų | 117.1 | 37% | 0.366 | 65% | 0.645 | S | S | . | * | | | trans | 81.8 | 154.8 | 154.5 | -64 | 151.4 | 0 | 0 | 0 | 117.8 | E841 | E841-L1121 HydrophobicContact CG-CD1 4.45Š|
| 1122 | Q | 29 | Very low | 31.8 | Very low | 102 Ų | 102 | 118 Ų | 118 | 48% | 0.477 | 64% | 0.644 | S | S | . | * | | | cis | -152.6 | 139.3 | 10.2 | -152.4 | 172.8 | -35.3 | 0 | 0 | 107.8 | | |
| 1123 | R | 29.4 | Very low | 32.2 | Very low | 153 Ų | 153 | 119.8 Ų | 119.8 | 58% | 0.577 | 64% | 0.64 | S | S | * | * | | | cis | 74.9 | 74.8 | 46.6 | -130.9 | -172.9 | -177.2 | -143.5 | 3.4 | 116.1 | S837 P838 E839 | S837-R1123 WeakPolarHBondContact O-CG 3.2Å; S837-R1123 VanDerWaalsContact O-CZ 3.25Å; S837-R1123 PolarHBondContact O-NE 1.92Å; P838-R1123 VanDerWaalsContact C-CD 3.48Å; P838-R1123 WeakPolarHBondContact CA-O 3.22Å; P838-R1123 PolarHBondContact O-NH1 3.05Å; E839-R1123 PolarHBondContact N-O 2.57Å; E839-R1123 VanDerWaalsContact O-CD 3.27Å; E839-R1123 WeakPolarHBondContact O-CD 3.16Å; E839-R1123 PolarHBondContact O-NH1 2.91Å; E839-R1123 VanDerWaalsContact O-NH1 3.09Å |
| 1124 | G | 28.7 | Very low | 32.6 | Very low | 49 Ų | 49 | 121.5 Ų | 121.5 | 51% | 0.505 | 64% | 0.639 | S | S | . | * | | | trans | -137.5 | 155.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | N836 S837 | N836-G1124 WeakPolarHBondContact CB-O 3.17Å; S837-G1124 WeakPolarHBondContact CB-O 3.32Å; S837-G1124 VanDerWaalsContact OG-C 3.25Å; S837-G1124 PolarHBondContact OG-N 2.97Å; S837-G1124 PolarHBondContact OG-O 2.98Å |
| 1125 | T | 31.1 | Very low | 33.2 | Very low | 77 Ų | 77 | 119.3 Ų | 119.3 | 47% | 0.472 | 63% | 0.632 | S | S | . | * | | | trans | -129.9 | 122 | -155.7 | 47.5 | 0 | 0 | 0 | 0 | 115.7 | N836 S837 | N836-T1125 WeakPolarHBondContact O-CB 3.47Å; N836-T1125 VanDerWaalsContact O-CG2 3.23Å; N836-T1125 WeakPolarHBondContact O-CG2 3.16Å; S837-T1125 VanDerWaalsContact CB-CB 3.49Å |
| 1126 | N | 30.2 | Very low | 33.5 | Very low | 85 Ų | 85 | 117.8 Ų | 117.8 | 46% | 0.455 | 63% | 0.629 | S | S | . | * | | | trans | 56.8 | 155.6 | 149 | -49 | 8.7 | 0 | 0 | 0 | 118.4 | M835 N836 | M835-N1126 HydrophobicContact CB-CB 4.47Å; M835-N1126 VanDerWaalsContact CB-CG 3.47Å; M835-N1126 WeakPolarHBondContact CB-OD1 3.46Å; M835-N1126 PolarHBondContact O-ND2 3.48Å; M835-N1126 PolarHBondContact O-OD1 2.79Å; N836-N1126 PolarHBondContact O-OD1 3.25Å |
| 1127 | A | 27.8 | Very low | 33.3 | Very low | 75 Ų | 75 | 119.7 Ų | 119.7 | 62% | 0.62 | 63% | 0.631 | S | S | * | * | | | cis | -133.3 | -139.4 | 8.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | D1129 | A1127-D1129 PolarHBondContact O-N 3.14Å; A1127-D1129 VanDerWaalsContact O-N 3.08Å |
| 1128 | E | 42.4 | Very low | 33.3 | Very low | 198 Ų | 198 | 124.2 Ų | 124.2 | 93% | 0.925 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -70.8 | 92.2 | 168.9 | -72.3 | 178.8 | 113.1 | 0 | 0 | 110.5 | | |
| 1129 | D | 35.3 | Very low | 33.5 | Very low | 147 Ų | 147 | 124.1 Ų | 124.1 | 79% | 0.786 | 68% | 0.675 | S | S | * | * | | | trans | -150.5 | 175.4 | 165.9 | -146.6 | -25.9 | 0 | 0 | 0 | 110.1 | A1127 | A1127-D1129 PolarHBondContact O-N 3.14Å; A1127-D1129 VanDerWaalsContact O-N 3.08Å |
| 1130 | Q | 36.2 | Very low | 33.8 | Very low | 175 Ų | 175 | 127.3 Ų | 127.3 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | | | trans | -73.4 | 148.9 | 175.4 | -60.9 | 179.8 | -20.9 | 0 | 0 | 111.6 | | |
| 1131 | V | 34.8 | Very low | 34.1 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 75% | 0.745 | 70% | 0.704 | S | S | * | * | | | trans | 136.6 | 122.2 | 149.2 | 169.6 | 0 | 0 | 0 | 0 | 115 | | |
| 1132 | Q | 39.6 | Very low | 34.2 | Very low | 163 Ų | 163 | 131 Ų | 131 | 76% | 0.762 | 72% | 0.723 | S | S | * | * | | | trans | 64.3 | 128.3 | 154.9 | -73.7 | 166.4 | -48.7 | 0 | 0 | 124.5 | | |
| 1133 | D | 37.8 | Very low | 34.5 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 72% | 0.717 | 74% | 0.737 | S | S | * | * | | | trans | 59.2 | 114.5 | 134 | -56.5 | -23.9 | 0 | 0 | 0 | 125.3 | | |
| 1134 | C | 34.6 | Very low | 34.9 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 78% | 0.777 | 75% | 0.747 | S | S | * | * | | | | 63.7 | 136.3 | 123.5 | -69.4 | 0 | 0 | 0 | 0 | 126.1 | | |
| 1135 | L | 40.9 | Very low | 35.3 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | | | trans | 86 | 111.1 | 145 | -72.4 | 168.5 | 0 | 0 | 0 | 124 | | |
| 1136 | L | 36.7 | Very low | 35.6 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | | 64.7 | 152 | 123.4 | -117.9 | 71.4 | 0 | 0 | 0 | 125.6 | | |
| 1137 | L | 35.3 | Very low | 36 | Very low | 136 Ų | 136 | 145.5 Ų | 145.5 | 71% | 0.712 | 81% | 0.809 | S | S | * | * | | | trans | 72.9 | 91.9 | 156.4 | -73.8 | 166.4 | 0 | 0 | 0 | 121.9 | | |
| 1138 | Q | 33.7 | Very low | 36.7 | Very low | 167 Ų | 167 | 151.4 Ų | 151.4 | 78% | 0.78 | 83% | 0.825 | S | S | * | * | | | | 61.2 | 119.8 | 110.3 | -168.7 | 173 | 5.1 | 0 | 0 | 121.3 | | |
| 1139 | A | 32.8 | Very low | 36.1 | Very low | 157 Ų | 157 | 147.2 Ų | 147.2 | 100% | 1.298 | 82% | 0.816 | S | S | * | * | | | | -109.3 | 0 | 117 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |