| 1 | M | 39.8 | Very low | 56.8 | Low | 240 Ų | 240 | 176.4 Ų | 176.4 | 100% | 1.182 | 85% | 0.846 | S | S | * | * | | | | 0 | 135 | 0 | -58.6 | 177 | 82.9 | 0 | 0 | 108.5 | | |
| 2 | S | 42.4 | Very low | 58 | Low | 103 Ų | 103 | 172.1 Ų | 172.1 | 72% | 0.72 | 84% | 0.844 | S | S | * | * | | | trans | -100.7 | 116.5 | -176.9 | -173.5 | 0 | 0 | 0 | 0 | 111.6 | L4 | S2-L4 PolarHBondContact O-N 3.42Å; S2-L4 VanDerWaalsContact O-N 3.09Å |
| 3 | L | 50.3 | Low | 58.7 | Low | 170 Ų | 170 | 171.7 Ų | 171.7 | 89% | 0.89 | 84% | 0.838 | S | S | * | * | | | trans | -85.8 | 59.8 | 177 | -67.1 | 178.1 | 0 | 0 | 0 | 111.5 | K5 | L3-K5 PolarHBondContact O-N 3.03Š|
| 4 | L | 54.6 | Low | 59.5 | Low | 154 Ų | 154 | 173 Ų | 173 | 81% | 0.806 | 83% | 0.831 | S | S | * | * | | | trans | -64.8 | 102.7 | 168 | -82.2 | 170.5 | 0 | 0 | 0 | 109.2 | S2 E6 | S2-L4 PolarHBondContact O-N 3.42Å; S2-L4 VanDerWaalsContact O-N 3.09Å; L4-E6 VanDerWaalsContact C-N 3.32Å; L4-E6 PolarHBondContact O-N 3.17Å |
| 5 | K | 57.4 | Low | 60 | Low | 184 Ų | 184 | 170.2 Ų | 170.2 | 80% | 0.8 | 82% | 0.821 | S | S | * | * | | | trans | -73.4 | 83 | -172.9 | -169.9 | 169.4 | -174.5 | 168.5 | 0 | 111.3 | L3 R7 | L3-K5 PolarHBondContact O-N 3.03Å; K5-R7 PolarHBondContact O-N 2.98Å |
| 6 | E | 55 | Low | 60.2 | Low | 163 Ų | 163 | 165.6 Ų | 165.6 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | | | trans | -49.6 | 106.3 | 178.3 | -169.1 | -169 | -169.1 | 0 | 0 | 111.2 | L4 K8 | L4-E6 VanDerWaalsContact C-N 3.32Å; L4-E6 PolarHBondContact O-N 3.17Å; E6-K8 PolarHBondContact O-N 3.28Å |
| 7 | R | 63.8 | Low | 61.2 | Low | 225 Ų | 225 | 166.6 Ų | 166.6 | 85% | 0.849 | 80% | 0.802 | S | S | * | * | | | trans | -84.1 | 101.7 | 173.2 | -76.7 | -173.7 | 169 | 94.9 | -9.2 | 108 | K5 | K5-R7 PolarHBondContact O-N 2.98Š|
| 8 | K | 62.6 | Low | 61.3 | Low | 180 Ų | 180 | 164 Ų | 164 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 135.7 | -179.1 | -63.5 | -157.8 | 174 | -159 | 0 | 111.7 | E6 K10 | E6-K8 PolarHBondContact O-N 3.28Å; K8-K10 PolarHBondContact O-N 3Å |
| 9 | P | 66.2 | Low | 61.3 | Low | 118 Ų | 118 | 162.4 Ų | 162.4 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -59 | 137.2 | 178.3 | 24.3 | -33.5 | 0 | 0 | 0 | 110.4 | K11 | P9-K11 PolarHBondContact O-N 2.86Š|
| 10 | K | 66.8 | Low | 61.1 | Low | 209 Ų | 209 | 158.3 Ų | 158.3 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 129.9 | 173.6 | -113.8 | 178.4 | 177.2 | 179.5 | 0 | 108.3 | K8 | K8-K10 PolarHBondContact O-N 3Š|
| 11 | K | 65.7 | Low | 61 | Low | 194 Ų | 194 | 159.2 Ų | 159.2 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 137.6 | 172.7 | -70.1 | -173.1 | 175.7 | -173.1 | 0 | 109.4 | P9 H13 | P9-K11 PolarHBondContact O-N 2.86Å; K11-H13 PolarHBondContact O-N 3.09Å |
| 12 | P | 70.8 | Confident | 61.9 | Low | 125 Ų | 125 | 153.7 Ų | 153.7 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -60 | 133.5 | 175.8 | 25.5 | -33.6 | 0 | 0 | 0 | 109.5 | Y14 | P12-Y14 PolarHBondContact O-N 2.85Å; P12-Y14 VanDerWaalsContact O-N 3.15Å |
| 13 | H | 68 | Low | 62.3 | Low | 167 Ų | 167 | 154.5 Ų | 154.5 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | -73.5 | 107.2 | 178.6 | -171.1 | -65.5 | 0 | 0 | 0 | 108.9 | K11 I15 | K11-H13 PolarHBondContact O-N 3.09Å; H13-I15 PolarHBondContact O-N 3.31Å |
| 14 | Y | 69 | Low | 62.1 | Low | 190 Ų | 190 | 156.7 Ų | 156.7 | 75% | 0.745 | 78% | 0.779 | S | S | * | * | | | trans | -64.2 | 119.8 | 175 | -175.3 | -96 | 0 | 0 | 0 | 109.5 | P12 P16 | P12-Y14 PolarHBondContact O-N 2.85Å; P12-Y14 VanDerWaalsContact O-N 3.15Å; Y14-P16 HydrophobicContact CD1-CG 4.22Å; Y14-P16 HydrophobicContact CE1-CB 4.29Å; Y14-P16 HydrophobicContact CE1-CG 4.2Å |
| 15 | I | 67.3 | Low | 61.6 | Low | 131 Ų | 131 | 155.6 Ų | 155.6 | 67% | 0.672 | 76% | 0.764 | S | S | * | * | | | trans | -97.9 | 113.3 | 171.5 | -59.9 | 175.4 | 0 | 0 | 0 | 106.4 | H13 R17 | H13-I15 PolarHBondContact O-N 3.31Å; I15-R17 PolarHBondContact O-N 3.27Å |
| 16 | P | 63.3 | Low | 61 | Low | 96 Ų | 96 | 154 Ų | 154 | 62% | 0.623 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 128.8 | 173.8 | -22.1 | 33.7 | 0 | 0 | 0 | 110.1 | Y14 | Y14-P16 HydrophobicContact CD1-CG 4.22Å; Y14-P16 HydrophobicContact CE1-CB 4.29Å; Y14-P16 HydrophobicContact CE1-CG 4.2Å |
| 17 | R | 76.6 | Confident | 60.2 | Low | 183 Ų | 183 | 151.6 Ų | 151.6 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 138.6 | 177.2 | -67.8 | -171.9 | 176.8 | -155.4 | -0.5 | 110 | I15 | I15-R17 PolarHBondContact O-N 3.27Š|
| 18 | P | 63.5 | Low | 59.3 | Low | 120 Ų | 120 | 147.8 Ų | 147.8 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 135.7 | 172.6 | -23.3 | 33.8 | 0 | 0 | 0 | 111.4 | | |
| 19 | P | 61.8 | Low | 58.4 | Low | 133 Ų | 133 | 148 Ų | 148 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -70.2 | 158.9 | 173.2 | 30.3 | -34.7 | 0 | 0 | 0 | 111.4 | | |
| 20 | G | 57.3 | Low | 57.6 | Low | 80 Ų | 80 | 146.9 Ų | 146.9 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | | | trans | 101.6 | 7.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 21 | K | 57.7 | Low | 56.7 | Low | 178 Ų | 178 | 141.8 Ų | 141.8 | 77% | 0.774 | 73% | 0.733 | S | S | * | * | | | trans | -115.6 | 108.5 | 173.6 | -139.1 | 168.2 | -168.8 | 172.6 | 0 | 112 | F23 | K21-F23 WeakPolarHBondContact O-CD2 3.29Å; K21-F23 PolarHBondContact O-N 3.21Å |
| 22 | P | 59 | Low | 55.6 | Low | 124 Ų | 124 | 139.9 Ų | 139.9 | 81% | 0.805 | 73% | 0.725 | S | S | * | * | | | trans | -70.4 | 114.8 | 174.8 | 28.1 | -32.4 | 0 | 0 | 0 | 109.6 | | |
| 23 | F | 51.2 | Low | 54.4 | Low | 121 Ų | 121 | 139.5 Ų | 139.5 | 53% | 0.531 | 72% | 0.721 | S | S | . | * | | | trans | -74.2 | 130.1 | 176.2 | -74.7 | -96.9 | 0 | 0 | 0 | 110.1 | K21 Y25 | K21-F23 WeakPolarHBondContact O-CD2 3.29Å; K21-F23 PolarHBondContact O-N 3.21Å; F23-Y25 HydrophobicContact CB-CD1 3.7Å; F23-Y25 HydrophobicContact CB-CD2 4.17Å; F23-Y25 HydrophobicContact CB-CE1 3.35Å; F23-Y25 HydrophobicContact CB-CE2 3.87Å; F23-Y25 HydrophobicContact CB-CG 4.11Å; F23-Y25 VanDerWaalsContact CB-CZ 3.46Å; F23-Y25 HydrophobicContact CD1-CE1 4.24Å; F23-Y25 AromaticContact CG-CE1 3.82Å; F23-Y25 HydrophobicContact CG-CE1 3.82Å; F23-Y25 AromaticContact CG-CZ 3.9Å; F23-Y25 PolarHBondContact O-N 3.47Å |
| 24 | K | 45.5 | Very low | 53.5 | Low | 216 Ų | 216 | 134.1 Ų | 134.1 | 94% | 0.939 | 70% | 0.702 | S | S | * | * | | | trans | -72.4 | 81 | 167 | -78.3 | -171.1 | 174.2 | -176 | 0 | 109.7 | K26 | K24-K26 PolarHBondContact O-N 2.9Š|
| 25 | Y | 45.6 | Very low | 52.4 | Low | 130 Ų | 130 | 132.5 Ų | 132.5 | 51% | 0.51 | 71% | 0.706 | S | S | . | * | | | trans | -75 | 87.4 | 177.5 | -64.6 | -47.9 | 0 | 0 | 0 | 111.8 | F23 F28 | F23-Y25 HydrophobicContact CB-CD1 3.7Å; F23-Y25 HydrophobicContact CB-CD2 4.17Å; F23-Y25 HydrophobicContact CB-CE1 3.35Å; F23-Y25 HydrophobicContact CB-CE2 3.87Å; F23-Y25 HydrophobicContact CB-CG 4.11Å; F23-Y25 VanDerWaalsContact CB-CZ 3.46Å; F23-Y25 HydrophobicContact CD1-CE1 4.24Å; F23-Y25 AromaticContact CG-CE1 3.82Å; F23-Y25 HydrophobicContact CG-CE1 3.82Å; F23-Y25 AromaticContact CG-CZ 3.9Å; F23-Y25 PolarHBondContact O-N 3.47Å; Y25-F28 AromaticContact CD1-CD2 3.71Å; Y25-F28 HydrophobicContact CD1-CD2 3.71Å; Y25-F28 AromaticContact CD1-CE2 3.19Å; Y25-F28 HydrophobicContact CD1-CE2 3.19Å; Y25-F28 AromaticContact CD1-CZ 3.79Å; Y25-F28 HydrophobicContact CD1-CZ 3.79Å; Y25-F28 HydrophobicContact CD2-CD2 4.42Å; Y25-F28 HydrophobicContact CD2-CE2 4.3Å; Y25-F28 HydrophobicContact CD2-CZ 4.43Å; Y25-F28 HydrophobicContact CE1-CD2 4.36Å; Y25-F28 AromaticContact CE1-CE2 3.45Å; Y25-F28 HydrophobicContact CE1-CE2 3.45Å; Y25-F28 VanDerWaalsContact CE1-CE2 3.45Å; Y25-F28 AromaticContact CE1-CZ 3.57Å; Y25-F28 HydrophobicContact CE1-CZ 3.57Å; Y25-F28 HydrophobicContact CE2-CZ 4.25Å; Y25-F28 AromaticContact CG-CD2 3.73Å; Y25-F28 HydrophobicContact CG-CD2 3.73Å; Y25-F28 AromaticContact CG-CE2 3.66Å; Y25-F28 HydrophobicContact CG-CE2 3.66Å; Y25-F28 HydrophobicContact CG-CG 4.35Å; Y25-F28 HydrophobicContact CG-CZ 4.21Å; Y25-F28 AromaticContact CZ-CZ 3.81Å |
| 26 | K | 44.4 | Very low | 51.7 | Low | 152 Ų | 152 | 133 Ų | 133 | 66% | 0.661 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -73.3 | 135.8 | 152.4 | -81.6 | -171.8 | 173.2 | -176.1 | 0 | 107.8 | K24 | K24-K26 PolarHBondContact O-N 2.9Š|
| 27 | C | 39.1 | Very low | 51.4 | Low | 112 Ų | 112 | 137.8 Ų | 137.8 | 76% | 0.757 | 72% | 0.716 | S | S | * | * | | | trans | 55.5 | 88.6 | -176.9 | -70.9 | 0 | 0 | 0 | 0 | 116.3 | | |
| 28 | F | 44.6 | Very low | 50.5 | Low | 144 Ų | 144 | 132.2 Ų | 132.2 | 63% | 0.632 | 71% | 0.705 | S | S | * | * | | | trans | -114.6 | 24.8 | 166.1 | -112 | -114.9 | 0 | 0 | 0 | 113.4 | Y25 | Y25-F28 AromaticContact CD1-CD2 3.71Å; Y25-F28 HydrophobicContact CD1-CD2 3.71Å; Y25-F28 AromaticContact CD1-CE2 3.19Å; Y25-F28 HydrophobicContact CD1-CE2 3.19Å; Y25-F28 AromaticContact CD1-CZ 3.79Å; Y25-F28 HydrophobicContact CD1-CZ 3.79Å; Y25-F28 HydrophobicContact CD2-CD2 4.42Å; Y25-F28 HydrophobicContact CD2-CE2 4.3Å; Y25-F28 HydrophobicContact CD2-CZ 4.43Å; Y25-F28 HydrophobicContact CE1-CD2 4.36Å; Y25-F28 AromaticContact CE1-CE2 3.45Å; Y25-F28 HydrophobicContact CE1-CE2 3.45Å; Y25-F28 VanDerWaalsContact CE1-CE2 3.45Å; Y25-F28 AromaticContact CE1-CZ 3.57Å; Y25-F28 HydrophobicContact CE1-CZ 3.57Å; Y25-F28 HydrophobicContact CE2-CZ 4.25Å; Y25-F28 AromaticContact CG-CD2 3.73Å; Y25-F28 HydrophobicContact CG-CD2 3.73Å; Y25-F28 AromaticContact CG-CE2 3.66Å; Y25-F28 HydrophobicContact CG-CE2 3.66Å; Y25-F28 HydrophobicContact CG-CG 4.35Å; Y25-F28 HydrophobicContact CG-CZ 4.21Å; Y25-F28 AromaticContact CZ-CZ 3.81Å |
| 29 | Q | 43.9 | Very low | 50.4 | Low | 186 Ų | 186 | 130.6 Ų | 130.6 | 87% | 0.869 | 69% | 0.687 | S | S | * | * | | | trans | -110.1 | 30.5 | -178.6 | -148.4 | 80.6 | 32.8 | 0 | 0 | 113.6 | | |
| 30 | C | 48.2 | Very low | 50.8 | Low | 93 Ų | 93 | 129 Ų | 129 | 63% | 0.628 | 67% | 0.671 | S | S | * | * | | | trans | -128.2 | 77.6 | 162.4 | -167.4 | 0 | 0 | 0 | 0 | 108.6 | F32 | C30-F32 PolarHBondContact O-N 3.41Š|
| 31 | P | 47.4 | Very low | 50.9 | Low | 103 Ų | 103 | 131.4 Ų | 131.4 | 67% | 0.669 | 66% | 0.659 | S | S | * | * | | | trans | -76.3 | -4.3 | -168 | 29.7 | -35.2 | 0 | 0 | 0 | 114.6 | | |
| 32 | F | 42.4 | Very low | 51.1 | Low | 153 Ų | 153 | 126.5 Ų | 126.5 | 67% | 0.671 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -123.1 | 103.6 | 179.7 | -69 | -74.1 | 0 | 0 | 0 | 112.2 | C30 C34 | C30-F32 PolarHBondContact O-N 3.41Å; F32-C34 PolarHBondContact O-N 2.92Å |
| 33 | T | 46.6 | Very low | 51.6 | Low | 117 Ų | 117 | 123.7 Ų | 123.7 | 72% | 0.718 | 62% | 0.617 | S | S | * | * | | | trans | 14.5 | 81 | 143.1 | 52.3 | 0 | 0 | 0 | 0 | 116.7 | N35 | T33-N35 PolarHBondContact O-N 3.3Š|
| 34 | C | 48.7 | Very low | 52.4 | Low | 55 Ų | 55 | 123.9 Ų | 123.9 | 37% | 0.372 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.9 | 50.3 | 170.4 | -156.4 | 0 | 0 | 0 | 0 | 111.8 | F32 L40 | F32-C34 PolarHBondContact O-N 2.92Å; C34-L40 VanDerWaalsContact SG-CA 3.58Å; C34-L40 PolarHBondContact SG-N 3.37Å; C34-L40 VanDerWaalsContact SG-N 3.43Å |
| 35 | N | 45.9 | Very low | 53.5 | Low | 155 Ų | 155 | 119.7 Ų | 119.7 | 83% | 0.829 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | -5.3 | -179.5 | -167.1 | 54.1 | 0 | 0 | 0 | 112.1 | T33 | T33-N35 PolarHBondContact O-N 3.3Š|
| 36 | E | 52.1 | Low | 54.4 | Low | 142 Ų | 142 | 120.4 Ų | 120.4 | 66% | 0.664 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -87.8 | 123.9 | 163.3 | -65.4 | -167.7 | 161.5 | 0 | 0 | 109.4 | S38 H39 | E36-S38 PolarHBondContact O-N 3.3Å; E36-H39 PolarHBondContact O-N 2.93Å |
| 37 | K | 58.9 | Low | 55 | Low | 197 Ų | 197 | 114.6 Ų | 114.6 | 86% | 0.857 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -58 | -24.8 | -171.9 | -166.6 | 177.8 | 179.7 | -175.4 | 0 | 113.5 | F41 | K37-F41 WeakPolarHBondContact O-CB 3.32Å; K37-F41 PolarHBondContact O-N 3.22Å |
| 38 | S | 57.3 | Low | 56.1 | Low | 65 Ų | 65 | 115 Ų | 115 | 46% | 0.455 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.3 | -43.7 | 173.9 | 46.7 | 0 | 0 | 0 | 0 | 113.4 | E36 F41 N42 | E36-S38 PolarHBondContact O-N 3.3Å; S38-F41 PolarHBondContact O-N 2.89Å; S38-N42 WeakPolarHBondContact O-CB 3.4Å; S38-N42 PolarHBondContact O-N 2.85Å |
| 39 | H | 60.2 | Low | 56.7 | Low | 87 Ų | 87 | 109.9 Ų | 109.9 | 40% | 0.403 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -71.7 | -39.4 | -173.8 | -165.4 | -45.6 | 0 | 0 | 0 | 111.6 | E36 H43 | E36-H39 PolarHBondContact O-N 2.93Å; H39-H43 WeakPolarHBondContact O-CB 3.3Å; H39-H43 PolarHBondContact O-N 3.33Å |
| 40 | L | 71.8 | Confident | 57.2 | Low | 99 Ų | 99 | 108.9 Ų | 108.9 | 52% | 0.518 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.6 | -43.6 | 175.2 | -174.2 | 60.7 | 0 | 0 | 0 | 110.8 | C34 H43 M44 | C34-L40 VanDerWaalsContact SG-CA 3.58Å; C34-L40 PolarHBondContact SG-N 3.37Å; C34-L40 VanDerWaalsContact SG-N 3.43Å; L40-H43 PolarHBondContact O-N 3.23Å; L40-M44 WeakPolarHBondContact O-CB 3.39Å; L40-M44 PolarHBondContact O-N 3.35Å |
| 41 | F | 58.1 | Low | 57.2 | Low | 130 Ų | 130 | 111 Ų | 111 | 57% | 0.57 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.2 | -47.8 | 177.7 | -173.3 | -107 | 0 | 0 | 0 | 111.9 | K37 S38 M44 K45 | K37-F41 WeakPolarHBondContact O-CB 3.32Å; K37-F41 PolarHBondContact O-N 3.22Å; S38-F41 PolarHBondContact O-N 2.89Å; F41-M44 PolarHBondContact O-N 2.91Å; F41-K45 HydrophobicContact CE1-CD 4.05Å; F41-K45 WeakPolarHBondContact O-CB 3.36Å; F41-K45 PolarHBondContact O-N 3.46Å |
| 42 | N | 61.6 | Low | 57.5 | Low | 76 Ų | 76 | 109 Ų | 109 | 41% | 0.406 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.2 | -45.3 | 177.4 | -77.9 | -20.3 | 0 | 0 | 0 | 112.4 | S38 M44 K45 Y46 | S38-N42 WeakPolarHBondContact O-CB 3.4Å; S38-N42 PolarHBondContact O-N 2.85Å; N42-M44 VanDerWaalsContact C-N 3.26Å; N42-M44 PolarHBondContact O-N 2.82Å; N42-K45 PolarHBondContact O-N 2.83Å; N42-Y46 HydrophobicContact CB-CD2 4.27Å; N42-Y46 HydrophobicContact CB-CE2 4.32Å; N42-Y46 WeakPolarHBondContact O-CD2 3.44Å; N42-Y46 PolarHBondContact O-N 2.78Å |
| 43 | H | 71.1 | Confident | 58 | Low | 64 Ų | 64 | 107.4 Ų | 107.4 | 30% | 0.296 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.9 | -34.8 | -179.5 | -173.3 | 74.5 | 0 | 0 | 0 | 112.4 | H39 L40 L48 | H39-H43 WeakPolarHBondContact O-CB 3.3Å; H39-H43 PolarHBondContact O-N 3.33Å; L40-H43 PolarHBondContact O-N 3.23Å; H43-L48 WeakPolarHBondContact ND1-CB 3.37Å; H43-L48 PolarHBondContact O-N 3.38Å; H43-L48 VanDerWaalsContact O-N 3.09Å |
| 44 | M | 67.8 | Low | 58.3 | Low | 126 Ų | 126 | 105.6 Ų | 105.6 | 62% | 0.621 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -79.1 | -42 | 175 | -157 | 168 | 76.5 | 0 | 0 | 112.4 | L40 F41 N42 Y46 G47 | L40-M44 WeakPolarHBondContact O-CB 3.39Å; L40-M44 PolarHBondContact O-N 3.35Å; F41-M44 PolarHBondContact O-N 2.91Å; N42-M44 VanDerWaalsContact C-N 3.26Å; N42-M44 PolarHBondContact O-N 2.82Å; M44-Y46 VanDerWaalsContact C-N 3.34Å; M44-Y46 PolarHBondContact O-N 2.71Å; M44-G47 PolarHBondContact O-N 2.85Å |
| 45 | K | 67.1 | Low | 58.3 | Low | 128 Ų | 128 | 107.7 Ų | 107.7 | 56% | 0.557 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60 | -38.8 | 177.5 | -179.9 | -174.3 | 178.5 | -167.1 | 0 | 113 | F41 N42 G47 | F41-K45 HydrophobicContact CE1-CD 4.05Å; F41-K45 WeakPolarHBondContact O-CB 3.36Å; F41-K45 PolarHBondContact O-N 3.46Å; N42-K45 PolarHBondContact O-N 2.83Å; K45-G47 VanDerWaalsContact C-N 3.32Å |
| 46 | Y | 66.1 | Low | 58.3 | Low | 145 Ų | 145 | 105 Ų | 105 | 57% | 0.569 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 11.1 | 177.1 | -62.2 | -67.8 | 0 | 0 | 0 | 113.2 | N42 M44 L48 | N42-Y46 HydrophobicContact CB-CD2 4.27Å; N42-Y46 HydrophobicContact CB-CE2 4.32Å; N42-Y46 WeakPolarHBondContact O-CD2 3.44Å; N42-Y46 PolarHBondContact O-N 2.78Å; M44-Y46 VanDerWaalsContact C-N 3.34Å; M44-Y46 PolarHBondContact O-N 2.71Å; Y46-L48 PolarHBondContact O-N 2.66Å; Y46-L48 VanDerWaalsContact O-N 3.1Å |
| 47 | G | 56.3 | Low | 58.3 | Low | 30 Ų | 30 | 102.2 Ų | 102.2 | 31% | 0.309 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 11.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | M44 K45 C49 K50 | M44-G47 PolarHBondContact O-N 2.85Å; K45-G47 VanDerWaalsContact C-N 3.32Å; G47-C49 PolarHBondContact O-N 2.86Å; G47-C49 VanDerWaalsContact O-N 3.14Å; G47-K50 WeakPolarHBondContact O-CG 3.42Å; G47-K50 PolarHBondContact O-N 3.22Å; G47-K50 VanDerWaalsContact O-N 3.17Å |
| 48 | L | 61.6 | Low | 58 | Low | 121 Ų | 121 | 99.6 Ų | 99.6 | 63% | 0.634 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -12.8 | -171.1 | -61.8 | 177.3 | 0 | 0 | 0 | 113.4 | H43 Y46 | H43-L48 WeakPolarHBondContact ND1-CB 3.37Å; H43-L48 PolarHBondContact O-N 3.38Å; H43-L48 VanDerWaalsContact O-N 3.09Å; Y46-L48 PolarHBondContact O-N 2.66Å; Y46-L48 VanDerWaalsContact O-N 3.1Å |
| 49 | C | 58.6 | Low | 57.6 | Low | 35 Ų | 35 | 100.9 Ų | 100.9 | 24% | 0.236 | 52% | 0.518 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 3.3 | 174.5 | 65.6 | 0 | 0 | 0 | 0 | 114.8 | G47 N51 S52 | G47-C49 PolarHBondContact O-N 2.86Å; G47-C49 VanDerWaalsContact O-N 3.14Å; C49-N51 PolarHBondContact O-N 2.85Å; C49-S52 PolarHBondContact O-N 2.96Å; C49-S52 PolarHBondContact O-OG 3.44Å; C49-S52 VanDerWaalsContact O-OG 3.07Å |
| 50 | K | 53.3 | Low | 56.9 | Low | 166 Ų | 166 | 103.8 Ų | 103.8 | 72% | 0.722 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -31.7 | -173 | -100.2 | -176.6 | 174.3 | -177.5 | 0 | 114.8 | G47 | G47-K50 WeakPolarHBondContact O-CG 3.42Å; G47-K50 PolarHBondContact O-N 3.22Å; G47-K50 VanDerWaalsContact O-N 3.17Å |
| 51 | N | 48.9 | Very low | 55.8 | Low | 137 Ų | 137 | 110.1 Ų | 110.1 | 73% | 0.733 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -4.3 | -174.8 | -61.3 | -6.6 | 0 | 0 | 0 | 114.3 | C49 | C49-N51 PolarHBondContact O-N 2.85Š|
| 52 | S | 52.9 | Low | 55.4 | Low | 60 Ų | 60 | 110 Ų | 110 | 42% | 0.42 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.5 | -17.5 | -174.5 | 60.4 | 0 | 0 | 0 | 0 | 114.8 | C49 | C49-S52 PolarHBondContact O-N 2.96Å; C49-S52 PolarHBondContact O-OG 3.44Å; C49-S52 VanDerWaalsContact O-OG 3.07Å |
| 53 | I | 53.6 | Low | 54.5 | Low | 120 Ų | 120 | 113.1 Ų | 113.1 | 62% | 0.615 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -84.2 | -40.1 | -179.1 | -170.7 | 166.7 | 0 | 0 | 0 | 112.8 | L55 V56 S57 | I53-L55 VanDerWaalsContact C-N 3.34Å; I53-L55 PolarHBondContact O-N 3.38Å; I53-V56 PolarHBondContact O-N 3.33Å; I53-V56 VanDerWaalsContact O-N 3.13Å; I53-S57 PolarHBondContact O-N 3.32Å; I53-S57 PolarHBondContact O-OG 3.32Å |
| 54 | T | 51.5 | Low | 52.9 | Low | 79 Ų | 79 | 120 Ų | 120 | 49% | 0.485 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61.1 | -39.6 | -179.4 | 46.4 | 0 | 0 | 0 | 0 | 112.8 | V56 S57 E58 | T54-V56 PolarHBondContact O-N 3.13Å; T54-S57 WeakPolarHBondContact CA-OG 3.37Å; T54-S57 PolarHBondContact O-N 3.05Å; T54-S57 PolarHBondContact O-OG 3.3Å; T54-E58 PolarHBondContact O-N 2.6Å |
| 55 | L | 49.2 | Very low | 51.3 | Low | 100 Ų | 100 | 119.6 Ų | 119.6 | 52% | 0.524 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -70.9 | -7.6 | 178.3 | -72.3 | 172.9 | 0 | 0 | 0 | 114.6 | I53 | I53-L55 VanDerWaalsContact C-N 3.34Å; I53-L55 PolarHBondContact O-N 3.38Å |
| 56 | V | 46.3 | Very low | 50.1 | Low | 99 Ų | 99 | 119.4 Ų | 119.4 | 60% | 0.6 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -95.7 | -44.4 | 170.2 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | I53 T54 E58 Q59 D60 | I53-V56 PolarHBondContact O-N 3.33Å; I53-V56 VanDerWaalsContact O-N 3.13Å; T54-V56 PolarHBondContact O-N 3.13Å; V56-E58 VanDerWaalsContact C-N 3.29Å; V56-E58 PolarHBondContact O-N 3.18Å; V56-Q59 PolarHBondContact O-N 3.02Å; V56-D60 PolarHBondContact O-N 3.16Å |
| 57 | S | 52.5 | Low | 48.4 | Very low | 82 Ų | 82 | 122 Ų | 122 | 57% | 0.573 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -62.1 | -30.4 | -179.5 | 47.2 | 0 | 0 | 0 | 0 | 114.5 | I53 T54 | I53-S57 PolarHBondContact O-N 3.32Å; I53-S57 PolarHBondContact O-OG 3.32Å; T54-S57 WeakPolarHBondContact CA-OG 3.37Å; T54-S57 PolarHBondContact O-N 3.05Å; T54-S57 PolarHBondContact O-OG 3.3Å |
| 58 | E | 51.8 | Low | 47.2 | Very low | 142 Ų | 142 | 126.9 Ų | 126.9 | 66% | 0.664 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -37.3 | 177.8 | -171.2 | 178 | -162.8 | 0 | 0 | 112.4 | T54 V56 D60 | T54-E58 PolarHBondContact O-N 2.6Å; V56-E58 VanDerWaalsContact C-N 3.29Å; V56-E58 PolarHBondContact O-N 3.18Å; E58-D60 VanDerWaalsContact C-N 3.35Å; E58-D60 PolarHBondContact O-N 3.08Å |
| 59 | Q | 48.9 | Very low | 45.7 | Very low | 93 Ų | 93 | 128.8 Ų | 128.8 | 44% | 0.435 | 67% | 0.671 | S | S | . | * | G | 310 helix | trans | -74.7 | -25.2 | -173.2 | -152.5 | 81.8 | 98.6 | 0 | 0 | 112.9 | V56 R61 I62 | V56-Q59 PolarHBondContact O-N 3.02Å; Q59-R61 PolarHBondContact O-N 3.13Å; Q59-I62 PolarHBondContact O-N 3.02Å |
| 60 | D | 45.9 | Very low | 44.3 | Very low | 148 Ų | 148 | 132 Ų | 132 | 79% | 0.791 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -75.9 | 2.2 | -177.6 | -147.4 | 30.2 | 0 | 0 | 0 | 114.2 | V56 E58 | V56-D60 PolarHBondContact O-N 3.16Å; E58-D60 VanDerWaalsContact C-N 3.35Å; E58-D60 PolarHBondContact O-N 3.08Å |
| 61 | R | 49.5 | Very low | 43.4 | Very low | 231 Ų | 231 | 131.6 Ų | 131.6 | 87% | 0.872 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -100.6 | -9.4 | 170 | -70.8 | -167.3 | 175.9 | -158.1 | -0.3 | 114.7 | Q59 | Q59-R61 PolarHBondContact O-N 3.13Š|
| 62 | I | 48.5 | Very low | 42.5 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 66% | 0.662 | 70% | 0.696 | S | S | * | * | | | trans | -134.8 | 63.1 | -170.5 | -40.2 | -177.8 | 0 | 0 | 0 | 113.1 | Q59 | Q59-I62 PolarHBondContact O-N 3.02Š|
| 63 | I | 42.1 | Very low | 41.8 | Very low | 140 Ų | 140 | 134.8 Ų | 134.8 | 72% | 0.718 | 71% | 0.714 | S | S | * | * | | | trans | -135 | 83.2 | 158.5 | -50.3 | -178.5 | 0 | 0 | 0 | 111.5 | | |
| 64 | K | 38.7 | Very low | 40.6 | Very low | 210 Ų | 210 | 137 Ų | 137 | 91% | 0.913 | 72% | 0.719 | S | S | * | * | | | trans | -128.8 | 145.9 | 141.1 | -76 | -173.1 | 178.7 | 175.7 | 0 | 107.9 | | |
| 65 | C | 33.3 | Very low | 39.8 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 78% | 0.784 | 73% | 0.733 | S | S | * | * | | | trans | -93.2 | 167.5 | -161.5 | -70.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 66 | P | 41.6 | Very low | 38.9 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | | | trans | -104.7 | -167 | -152.8 | 42.1 | -38.9 | 0 | 0 | 0 | 116 | | |
| 67 | K | 31.9 | Very low | 38.3 | Very low | 201 Ų | 201 | 144.9 Ų | 144.9 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | | | trans | 84.4 | 138.6 | -173.4 | -91.4 | 175.7 | 172.9 | 176.5 | 0 | 113.9 | | |
| 68 | T | 30.3 | Very low | 37.2 | Very low | 132 Ų | 132 | 148.6 Ų | 148.6 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | | | cis | -130.4 | 178.9 | 19.6 | 47.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 69 | N | 31.2 | Very low | 36.4 | Very low | 160 Ų | 160 | 148 Ų | 148 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | | | trans | -70.5 | 163 | -178.1 | -48.1 | -32.1 | 0 | 0 | 0 | 115.1 | | |
| 70 | S | 27.5 | Very low | 35.4 | Very low | 104 Ų | 104 | 151.8 Ų | 151.8 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | | -177.9 | 133.2 | 112.6 | -147.9 | 0 | 0 | 0 | 0 | 116.5 | | |
| 71 | L | 34.5 | Very low | 34.7 | Very low | 156 Ų | 156 | 149.1 Ų | 149.1 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | | | trans | 62.8 | 124.9 | 149.2 | -70.7 | 165.7 | 0 | 0 | 0 | 125.9 | | |
| 72 | E | 30.4 | Very low | 33.7 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | | | trans | 62 | 153.5 | 143.4 | -84 | -70.8 | 87.3 | 0 | 0 | 121 | K74 | E72-K74 PolarHBondContact OE1-N 3.04Å; E72-K74 VanDerWaalsContact OE1-N 3.13Å; E72-K74 PolarHBondContact OE2-N 3.23Å |
| 73 | P | 37.8 | Very low | 32.8 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | | | cis | -137.8 | 137.9 | 35.7 | 37.8 | -16.6 | 0 | 0 | 0 | 121.3 | | |
| 74 | K | 29.5 | Very low | 32.2 | Very low | 166 Ų | 166 | 147 Ų | 147 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | | | | 58.3 | 94.3 | 124.8 | -141.7 | 171.4 | -171.2 | 178.3 | 0 | 124.8 | E72 | E72-K74 PolarHBondContact OE1-N 3.04Å; E72-K74 VanDerWaalsContact OE1-N 3.13Å; E72-K74 PolarHBondContact OE2-N 3.23Å |
| 75 | Q | 34.2 | Very low | 32.8 | Very low | 168 Ų | 168 | 142 Ų | 142 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | trans | 34.2 | 133.4 | 133.1 | -63 | -175.4 | -15.1 | 0 | 0 | 125.8 | | |
| 76 | I | 31.5 | Very low | 32.5 | Very low | 154 Ų | 154 | 142 Ų | 142 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | | | | -171.7 | 116.6 | 124.9 | -104 | 163.6 | 0 | 0 | 0 | 108.9 | | |
| 77 | N | 32.3 | Very low | 32 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 65% | 0.652 | 76% | 0.761 | S | S | * | * | | | | 62.1 | 140.8 | 91.5 | -70.6 | -17.3 | 0 | 0 | 0 | 115.8 | | |
| 78 | Q | 30.5 | Very low | 32 | Very low | 160 Ų | 160 | 135.9 Ų | 135.9 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | | | cis | -171.9 | 174.1 | -6.2 | -98.7 | -170.8 | 133.6 | 0 | 0 | 107.8 | | |
| 79 | L | 33.5 | Very low | 32.3 | Very low | 130 Ų | 130 | 139 Ų | 139 | 68% | 0.681 | 75% | 0.751 | S | S | * | * | | | cis | -177.1 | 150.7 | -25.3 | 178.8 | 62 | 0 | 0 | 0 | 110.3 | | |
| 80 | E | 28 | Very low | 32.1 | Very low | 172 Ų | 172 | 136 Ų | 136 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | | | trans | 64.8 | 166.1 | 161.8 | -95.1 | -174.1 | 128 | 0 | 0 | 120.7 | | |
| 81 | S | 31.3 | Very low | 32.2 | Very low | 92 Ų | 92 | 138.1 Ų | 138.1 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | | | cis | -158.8 | 147.4 | -12.9 | 70.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 82 | T | 28.5 | Very low | 32 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | | | | 97.1 | 156.9 | 93.9 | -72.4 | 0 | 0 | 0 | 0 | 118.1 | | |
| 83 | V | 29.4 | Very low | 32.1 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 86% | 0.855 | 75% | 0.746 | S | S | * | * | | | trans | 90.3 | 162.9 | 175.9 | -155.8 | 0 | 0 | 0 | 0 | 118.1 | | |
| 84 | K | 30 | Very low | 31.6 | Very low | 188 Ų | 188 | 134.5 Ų | 134.5 | 82% | 0.817 | 74% | 0.744 | S | S | * | * | | | trans | -156.7 | -168.7 | -150.5 | -150.1 | -174.7 | -177 | 177.4 | 0 | 111.1 | | |
| 85 | P | 51.3 | Low | 31.7 | Very low | 106 Ų | 106 | 135 Ų | 135 | 69% | 0.688 | 75% | 0.754 | S | S | * | * | | | | -107.2 | -166.1 | -104.2 | 41.3 | -24.5 | 0 | 0 | 0 | 115.8 | | |
| 86 | T | 27.6 | Very low | 31.5 | Very low | 115 Ų | 115 | 132 Ų | 132 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | | | | 153.4 | 119.1 | 122.4 | -62.6 | 0 | 0 | 0 | 0 | 117.3 | | |
| 87 | S | 30.2 | Very low | 31.3 | Very low | 111 Ų | 111 | 131 Ų | 131 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | | | trans | 63.4 | 167.7 | 152.5 | 80.7 | 0 | 0 | 0 | 0 | 121 | | |
| 88 | S | 32.9 | Very low | 31.4 | Very low | 86 Ų | 86 | 132.2 Ų | 132.2 | 60% | 0.601 | 75% | 0.753 | S | S | * | * | | | cis | -173.3 | 152.4 | -40.9 | 65.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 89 | K | 36.5 | Very low | 31.2 | Very low | 198 Ų | 198 | 130.9 Ų | 130.9 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | | | trans | 69.1 | 157.1 | 160.3 | -66.8 | 168.2 | -176.6 | 176.2 | 0 | 116.4 | | |
| 90 | S | 26.6 | Very low | 31.1 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | | | cis | -174.5 | 154.1 | -12.7 | 49.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 91 | I | 30.3 | Very low | 31.3 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | | | trans | 85.1 | 116.8 | 135.6 | -81.1 | 166.8 | 0 | 0 | 0 | 123.7 | | |
| 92 | T | 30.3 | Very low | 31.7 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | | | trans | 73.3 | 126.5 | 141.6 | 57.7 | 0 | 0 | 0 | 0 | 128.2 | | |
| 93 | N | 31.2 | Very low | 31.5 | Very low | 165 Ų | 165 | 132.8 Ų | 132.8 | 88% | 0.882 | 76% | 0.755 | S | S | * | * | | | | 71 | 139.2 | 127 | -56.6 | -3.4 | 0 | 0 | 0 | 124.4 | | |
| 94 | G | 28.5 | Very low | 31.3 | Very low | 73 Ų | 73 | 135 Ų | 135 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | | | trans | 175.5 | 161 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 95 | L | 31.7 | Very low | 32 | Very low | 177 Ų | 177 | 130.4 Ų | 130.4 | 93% | 0.927 | 74% | 0.738 | S | S | * | * | | | trans | -155.7 | 167.5 | -170.2 | -71.8 | 178.1 | 0 | 0 | 0 | 110.1 | | |
| 96 | S | 29.2 | Very low | 30.9 | Very low | 105 Ų | 105 | 134.2 Ų | 134.2 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | | | cis | -168.9 | -163.9 | -14.2 | 51.7 | 0 | 0 | 0 | 0 | 106.8 | | |
| 97 | N | 28 | Very low | 31 | Very low | 134 Ų | 134 | 132.4 Ų | 132.4 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | | | cis | -166.3 | -172.6 | 4.7 | -163.7 | 6.4 | 0 | 0 | 0 | 109.5 | | |
| 98 | L | 33.5 | Very low | 31.3 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | | | trans | 69.5 | 164.7 | 157.7 | -66.9 | 176.9 | 0 | 0 | 0 | 118 | | |
| 99 | D | 27 | Very low | 31.5 | Very low | 132 Ų | 132 | 138.3 Ų | 138.3 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | cis | -168.9 | 169.9 | -21.8 | 175.9 | 49.7 | 0 | 0 | 0 | 113.2 | | |
| 100 | S | 30.9 | Very low | 31.5 | Very low | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | | | trans | 80.1 | 135.9 | 153.6 | -88.9 | 0 | 0 | 0 | 0 | 123.2 | | |
| 101 | K | 32.6 | Very low | 32.1 | Very low | 189 Ų | 189 | 135.3 Ų | 135.3 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | | | trans | -165.2 | 126 | -174.4 | 175.3 | -103.5 | 174 | -171.9 | 0 | 116.3 | | |
| 102 | P | 38.5 | Very low | 32.8 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 62% | 0.623 | 74% | 0.74 | S | S | * | * | | | trans | -103.4 | -159.3 | 165.7 | 42 | -35.2 | 0 | 0 | 0 | 111 | | |
| 103 | Q | 25 | Very low | 33 | Very low | 170 Ų | 170 | 138.1 Ų | 138.1 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | | | cis | -156.2 | 165.2 | -27.6 | -119.8 | 166.8 | -78.9 | 0 | 0 | 105.9 | | |
| 104 | Y | 25.7 | Very low | 33.2 | Very low | 189 Ų | 189 | 137 Ų | 137 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | | | cis | 82.7 | 134.7 | 14 | -110.4 | -125.4 | 0 | 0 | 0 | 118.1 | | |
| 105 | P | 44.3 | Very low | 33.8 | Very low | 91 Ų | 91 | 140.1 Ų | 140.1 | 59% | 0.591 | 74% | 0.739 | S | S | * | * | | | cis | -139.2 | 170.3 | 10.1 | 41.3 | -22.3 | 0 | 0 | 0 | 119.6 | | |
| 106 | F | 28.1 | Very low | 34 | Very low | 186 Ų | 186 | 139.4 Ų | 139.4 | 82% | 0.816 | 73% | 0.731 | S | S | * | * | | | trans | 61.1 | 154.4 | 147.2 | -74.3 | -44.9 | 0 | 0 | 0 | 123.1 | | |
| 107 | A | 29.8 | Very low | 34.3 | Very low | 76 Ų | 76 | 142 Ų | 142 | 63% | 0.628 | 74% | 0.736 | S | S | * | * | | | cis | -165.2 | 152.1 | -14.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 108 | K | 37.4 | Very low | 34.3 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 74% | 0.739 | 74% | 0.738 | S | S | * | * | | | trans | 41.9 | 160.8 | 137.4 | -74.1 | -172.7 | 171.9 | -78.9 | 0 | 122.9 | | |
| 109 | E | 35.4 | Very low | 34.1 | Very low | 151 Ų | 151 | 143.2 Ų | 143.2 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | | | cis | 163 | 158.9 | -15.7 | -178.4 | 171.3 | -83.6 | 0 | 0 | 107.9 | | |
| 110 | D | 37.8 | Very low | 34.3 | Very low | 149 Ų | 149 | 145.2 Ų | 145.2 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | | | cis | -159.1 | 161 | -48 | 177.2 | 51.9 | 0 | 0 | 0 | 108.5 | | |
| 111 | A | 37.9 | Very low | 34.1 | Very low | 82 Ų | 82 | 144.1 Ų | 144.1 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | | | trans | -160.3 | 111 | 175.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 112 | K | 45.8 | Very low | 34 | Very low | 170 Ų | 170 | 140.7 Ų | 140.7 | 74% | 0.739 | 74% | 0.736 | S | S | * | * | | | trans | 55.3 | 118 | 133.5 | -81 | 178.5 | 170 | -81.5 | 0 | 120.5 | | |
| 113 | E | 35.7 | Very low | 33.5 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 67% | 0.673 | 74% | 0.74 | S | S | * | * | | | | 86 | 98.8 | 81.4 | -170.1 | -178.8 | 174 | 0 | 0 | 112.4 | | |
| 114 | N | 35.5 | Very low | 33.7 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | | | | 85.6 | 137.5 | 80.4 | -166.6 | 17.2 | 0 | 0 | 0 | 113.6 | | |
| 115 | V | 40.4 | Very low | 33.9 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 84% | 0.842 | 73% | 0.733 | S | S | * | * | | | trans | 175.1 | 127.7 | 147.7 | 145.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 116 | E | 36.4 | Very low | 33.4 | Very low | 162 Ų | 162 | 138.3 Ų | 138.3 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | | | trans | -104.4 | 151.9 | 170.7 | 166.4 | 169.4 | -163.8 | 0 | 0 | 109 | | |
| 117 | L | 34.2 | Very low | 33.5 | Very low | 161 Ų | 161 | 138 Ų | 138 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | | | | -179.7 | 151.3 | 128.1 | -96.4 | 167.5 | 0 | 0 | 0 | 115.8 | | |
| 118 | Q | 28.7 | Very low | 33.3 | Very low | 159 Ų | 159 | 137.5 Ų | 137.5 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | | | trans | -75.9 | 147.3 | 172.5 | 169.9 | -174.1 | 43.3 | 0 | 0 | 111.9 | | |
| 119 | N | 28.6 | Very low | 33.1 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | | | trans | -171.1 | -178 | 136.8 | -108.4 | -58.9 | 0 | 0 | 0 | 115.5 | | |
| 120 | Q | 31.5 | Very low | 32.9 | Very low | 173 Ų | 173 | 140.3 Ų | 140.3 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | | | trans | -106.5 | 146.8 | -159.2 | -49.2 | 177 | 34.4 | 0 | 0 | 115.8 | | |
| 121 | A | 27.9 | Very low | 32.8 | Very low | 81 Ų | 81 | 138.5 Ų | 138.5 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | | | trans | 65.7 | 158.6 | 135.3 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 122 | T | 29.4 | Very low | 32.4 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | | | trans | 82.2 | 151.4 | 164.8 | 73.7 | 0 | 0 | 0 | 0 | 119.3 | | |
| 123 | N | 28.8 | Very low | 31.6 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | | | trans | 71.7 | 114.9 | 161.5 | -56.6 | -27.1 | 0 | 0 | 0 | 116.6 | | |
| 124 | T | 29.1 | Very low | 31.2 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | | | | 58 | 130.7 | 73.4 | 66.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 125 | S | 29 | Very low | 31 | Very low | 89 Ų | 89 | 137.7 Ų | 137.7 | 62% | 0.622 | 75% | 0.747 | S | S | * | * | | | cis | -175.9 | 165.8 | -1.9 | 53.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 126 | I | 33.9 | Very low | 30.4 | Very low | 150 Ų | 150 | 137.2 Ų | 137.2 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | | | trans | 68.3 | 150.1 | 164.8 | -60.1 | 159.8 | 0 | 0 | 0 | 112.1 | | |
| 127 | Q | 31 | Very low | 30.2 | Very low | 180 Ų | 180 | 136.7 Ų | 136.7 | 84% | 0.841 | 74% | 0.737 | S | S | * | * | | | cis | -130.3 | 161.6 | -5.5 | -134.2 | 143.8 | -23.3 | 0 | 0 | 105.9 | | |
| 128 | G | 25.6 | Very low | 30 | Very low | 65 Ų | 65 | 135 Ų | 135 | 67% | 0.67 | 73% | 0.734 | S | S | * | * | | | cis | 109.5 | 81 | 16.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 129 | Q | 32.3 | Very low | 30.5 | Very low | 196 Ų | 196 | 133.2 Ų | 133.2 | 92% | 0.916 | 74% | 0.736 | S | S | * | * | | | trans | -138.8 | 144.9 | 159.2 | -81.1 | -146.6 | 1.4 | 0 | 0 | 111.8 | | |
| 130 | K | 32.4 | Very low | 30.4 | Very low | 184 Ų | 184 | 129.9 Ų | 129.9 | 80% | 0.8 | 73% | 0.729 | S | S | * | * | | | trans | -158.8 | 124 | 179.1 | 176.7 | -173.9 | 178.7 | -176.1 | 0 | 108.3 | | |
| 131 | P | 34.7 | Very low | 30.2 | Very low | 110 Ų | 110 | 126.9 Ų | 126.9 | 71% | 0.714 | 73% | 0.727 | S | S | * | * | | | | -109.4 | 156.5 | 124.5 | -15.2 | 34 | 0 | 0 | 0 | 110.1 | | |
| 132 | A | 28.7 | Very low | 30.2 | Very low | 74 Ų | 74 | 127.4 Ų | 127.4 | 61% | 0.612 | 73% | 0.726 | S | S | * | * | | | cis | 70.5 | 133.6 | 32.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 133 | I | 30.9 | Very low | 30.1 | Very low | 139 Ų | 139 | 127.8 Ų | 127.8 | 71% | 0.713 | 73% | 0.728 | S | S | * | * | | | cis | -160.8 | 150 | -1.3 | -128.2 | 170.1 | 0 | 0 | 0 | 109.9 | | |
| 134 | Q | 27 | Very low | 30.2 | Very low | 145 Ų | 145 | 127.8 Ų | 127.8 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | | | trans | 48.8 | 144.3 | 155.2 | -63.9 | 178.7 | 29.1 | 0 | 0 | 123.8 | | |
| 135 | K | 31.6 | Very low | 30.3 | Very low | 163 Ų | 163 | 130.3 Ų | 130.3 | 71% | 0.709 | 74% | 0.736 | S | S | * | * | | | trans | 64.9 | 157.9 | 139.6 | -74.1 | 174.6 | 171.6 | -102.3 | 0 | 118.8 | | |
| 136 | E | 26.3 | Very low | 30.5 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 60% | 0.603 | 75% | 0.745 | S | S | * | * | | | cis | -155.6 | 160.3 | -21.6 | -128.7 | 171.9 | 98.7 | 0 | 0 | 110.4 | | |
| 137 | L | 32.8 | Very low | 30.3 | Very low | 150 Ų | 150 | 128 Ų | 128 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | | | trans | 60.1 | 140.2 | 153.6 | -72.8 | 162.2 | 0 | 0 | 0 | 122.9 | | |
| 138 | T | 29.6 | Very low | 30.6 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | | | trans | -85 | 164.7 | 174 | -12.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 139 | P | 39.6 | Very low | 30.6 | Very low | 121 Ų | 121 | 125.2 Ų | 125.2 | 79% | 0.786 | 72% | 0.717 | S | S | * | * | | | | -141.2 | -171.6 | 100.4 | 44.6 | -31.9 | 0 | 0 | 0 | 111.5 | | |
| 140 | A | 26.6 | Very low | 30.4 | Very low | 78 Ų | 78 | 119.6 Ų | 119.6 | 65% | 0.645 | 69% | 0.692 | S | S | * | * | | | cis | -156.7 | 176.1 | 10.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 141 | S | 26.3 | Very low | 30.2 | Very low | 110 Ų | 110 | 117.9 Ų | 117.9 | 77% | 0.769 | 69% | 0.687 | S | S | * | * | | | trans | 62.2 | 142.3 | 147.3 | 54 | 0 | 0 | 0 | 0 | 121.4 | | |
| 142 | S | 29.1 | Very low | 30.5 | Very low | 92 Ų | 92 | 115.5 Ų | 115.5 | 64% | 0.643 | 67% | 0.671 | S | S | * | * | | | cis | -177.1 | 147.3 | -10.4 | 47.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 143 | T | 27.6 | Very low | 30.5 | Very low | 125 Ų | 125 | 117.9 Ų | 117.9 | 77% | 0.767 | 67% | 0.673 | S | S | * | * | | | trans | 56.3 | 147.5 | 148.3 | 53.5 | 0 | 0 | 0 | 0 | 119.9 | | |
| 144 | T | 30.4 | Very low | 30.8 | Very low | 132 Ų | 132 | 117.9 Ų | 117.9 | 81% | 0.81 | 67% | 0.674 | S | S | * | * | | | cis | -155.2 | -167.7 | 5.5 | -1.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 145 | E | 30.7 | Very low | 31.1 | Very low | 179 Ų | 179 | 117.4 Ų | 117.4 | 84% | 0.836 | 68% | 0.676 | S | S | * | * | | | trans | -99 | 179 | -162.9 | -51.9 | 170.2 | 103 | 0 | 0 | 117.5 | | |
| 146 | S | 33.1 | Very low | 31.1 | Very low | 114 Ų | 114 | 113.8 Ų | 113.8 | 80% | 0.797 | 67% | 0.671 | S | S | * | * | | | trans | 84 | 143.9 | 160.9 | -66.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 147 | A | 30.1 | Very low | 31.5 | Very low | 75 Ų | 75 | 115.8 Ų | 115.8 | 62% | 0.62 | 68% | 0.684 | S | S | * | * | | | cis | -168.2 | 176.9 | -12.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 148 | I | 36.8 | Very low | 31.8 | Very low | 123 Ų | 123 | 114.1 Ų | 114.1 | 63% | 0.631 | 68% | 0.68 | S | S | * | * | | | trans | 77.4 | 124.2 | 169.6 | -42 | 171.7 | 0 | 0 | 0 | 114.1 | M544 | I148-M544 HydrophobicContact CB-CE 4.08Å; I148-M544 HydrophobicContact CB-SD 4.33Å; I148-M544 HydrophobicContact CG2-CE 4Å; I148-M544 HydrophobicContact CG2-SD 3.67Å; I148-M544 WeakPolarHBondContact O-CE 3.19Å |
| 149 | S | 26.3 | Very low | 32.7 | Very low | 65 Ų | 65 | 119.1 Ų | 119.1 | 46% | 0.455 | 69% | 0.685 | S | S | . | * | | | cis | 105.3 | 122.7 | 9.6 | -156 | 0 | 0 | 0 | 0 | 114.4 | | |
| 150 | M | 29.1 | Very low | 33.1 | Very low | 78 Ų | 78 | 119.7 Ų | 119.7 | 38% | 0.384 | 69% | 0.688 | S | S | . | * | | | | -161.1 | 151.5 | 62.5 | -64.9 | -119.3 | 48.7 | 0 | 0 | 115.9 | P545 L546 N547 | M150-P545 PolarHBondContact N-O 2.95Å; M150-P545 VanDerWaalsContact N-O 3.11Å; M150-P545 CarbonylContact O-C 2.89Å; M150-P545 WeakPolarHBondContact O-CA 3.39Å; M150-P545 WeakPolarHBondContact O-CB 3.47Å; M150-P545 VanDerWaalsContact O-CG 3.27Å; M150-P545 WeakPolarHBondContact O-CG 3.43Å; M150-L546 CarbonylContact O-C 3.48Å; M150-L546 PolarHBondContact O-N 3.25Å; M150-N547 HydrophobicContact CB-CB 4.43Å; M150-N547 WeakPolarHBondContact CB-OD1 3.21Å; M150-N547 WeakPolarHBondContact CG-ND2 3.34Å; M150-N547 PolarHBondContact SD-ND2 3.38Å |
| 151 | Q | 26.8 | Very low | 34.2 | Very low | 148 Ų | 148 | 121.5 Ų | 121.5 | 69% | 0.692 | 70% | 0.696 | S | S | * | * | | | trans | -58.4 | 171.8 | 162.1 | -82.5 | -97.6 | -21.7 | 0 | 0 | 112.9 | L546 N547 | Q151-L546 CarbonylContact C-O 3.12Å; Q151-N547 PolarHBondContact O-OD1 3.09Å |
| 152 | P | 40.5 | Very low | 35.4 | Very low | 59 Ų | 59 | 119.5 Ų | 119.5 | 38% | 0.383 | 69% | 0.686 | S | S | . | * | | | cis | -149.8 | -175.2 | 27.4 | 37.7 | -13.4 | 0 | 0 | 0 | 119.3 | | |
| 153 | L | 30.3 | Very low | 36.3 | Very low | 125 Ų | 125 | 124.6 Ų | 124.6 | 65% | 0.654 | 70% | 0.697 | S | S | * | * | | | | 124.2 | 121.6 | 124.2 | -155.6 | 66.6 | 0 | 0 | 0 | 119.9 | | |
| 154 | L | 35.9 | Very low | 37.1 | Very low | 139 Ų | 139 | 126.6 Ų | 126.6 | 73% | 0.728 | 70% | 0.701 | S | S | * | * | | | trans | -23.3 | 164.8 | 152.6 | -53.8 | 173.6 | 0 | 0 | 0 | 118.3 | | |
| 155 | D | 33.3 | Very low | 37.8 | Very low | 135 Ų | 135 | 126 Ų | 126 | 72% | 0.722 | 70% | 0.699 | S | S | * | * | | | cis | -153.4 | 175.1 | 14.9 | -141.7 | -27.6 | 0 | 0 | 0 | 115.4 | | |
| 156 | S | 31.3 | Very low | 38.2 | Very low | 86 Ų | 86 | 124.4 Ų | 124.4 | 60% | 0.601 | 70% | 0.702 | S | S | * | * | | | trans | -58.9 | 128.8 | 174.9 | -177.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 157 | I | 35.4 | Very low | 38.8 | Very low | 171 Ų | 171 | 122.3 Ų | 122.3 | 88% | 0.877 | 70% | 0.698 | S | S | * | * | | | trans | -93.8 | 98.5 | 161.6 | -63.3 | 179.9 | 0 | 0 | 0 | 108.9 | | |
| 158 | V | 38.8 | Very low | 39.2 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 70% | 0.703 | 71% | 0.709 | S | S | * | * | | | trans | -69.2 | 146.6 | 177.2 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 159 | R | 49.8 | Very low | 39.2 | Very low | 231 Ų | 231 | 128.6 Ų | 128.6 | 87% | 0.872 | 71% | 0.712 | S | S | * | * | | | trans | -55.8 | 137.2 | 176.6 | -72.7 | 175.3 | 168.8 | 170.4 | -4 | 112 | S161 | R159-S161 PolarHBondContact O-N 2.98Š|
| 160 | P | 46.2 | Very low | 39.8 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 86% | 0.857 | 73% | 0.728 | S | S | * | * | | | trans | -70.4 | 110.8 | 165.6 | 29.2 | -32.4 | 0 | 0 | 0 | 110 | | |
| 161 | S | 50.8 | Low | 40.2 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | | | trans | -73.3 | 137.1 | 165.7 | -170.7 | 0 | 0 | 0 | 0 | 109.8 | R159 | R159-S161 PolarHBondContact O-N 2.98Š|
| 162 | A | 51.5 | Low | 40.8 | Very low | 68 Ų | 68 | 137 Ų | 137 | 56% | 0.562 | 75% | 0.751 | S | S | * | * | | | trans | -75.9 | 156.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 163 | F | 48.2 | Very low | 40.5 | Very low | 199 Ų | 199 | 144.1 Ų | 144.1 | 87% | 0.873 | 78% | 0.775 | S | S | * | * | | | trans | 64.7 | 100.5 | 173.6 | -49.7 | -80.9 | 0 | 0 | 0 | 117.5 | | |
| 164 | I | 44 | Very low | 40.6 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | | -177.4 | 148.8 | 119.6 | -97.4 | 165.3 | 0 | 0 | 0 | 108.6 | | |
| 165 | P | 45 | Very low | 40.9 | Very low | 118 Ų | 118 | 140 Ų | 140 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 158.2 | -153.6 | 33.5 | -37.1 | 0 | 0 | 0 | 115.6 | | |
| 166 | V | 39.8 | Very low | 40.9 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 131.3 | 172.3 | 178.7 | 0 | 0 | 0 | 0 | 110 | | |
| 167 | G | 45.4 | Very low | 41 | Very low | 70 Ų | 70 | 141.9 Ų | 141.9 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 173.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 168 | E | 37.1 | Very low | 40.9 | Very low | 179 Ų | 179 | 140.5 Ų | 140.5 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -89 | 137.9 | -167.1 | -170.3 | 170.4 | -166.3 | 0 | 0 | 113.3 | | |
| 169 | H | 37 | Very low | 40.6 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | | | trans | 55.5 | 123.7 | 164.4 | -81.9 | -123.5 | 0 | 0 | 0 | 118.4 | | |
| 170 | R | 40.4 | Very low | 39.9 | Very low | 211 Ų | 211 | 137.4 Ų | 137.4 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | | | | 48.5 | 111.1 | 82.6 | -78.1 | -169.1 | 171.8 | -117.6 | -1.7 | 113.9 | | |
| 171 | D | 35.9 | Very low | 39.2 | Very low | 154 Ų | 154 | 135.9 Ų | 135.9 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | | | | -165.9 | 171.8 | 98.1 | -96.1 | -22.8 | 0 | 0 | 0 | 113.1 | | |
| 172 | S | 40.2 | Very low | 38.3 | Very low | 104 Ų | 104 | 138 Ų | 138 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | trans | -99.2 | 136.2 | -168.2 | 56 | 0 | 0 | 0 | 0 | 114.4 | | |
| 173 | K | 33.3 | Very low | 37.6 | Very low | 208 Ų | 208 | 141.6 Ų | 141.6 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | | | trans | -138 | 122.9 | 156 | -80.2 | -63.3 | -173.2 | 173.1 | 0 | 112.1 | | |
| 174 | G | 34.1 | Very low | 36.8 | Very low | 62 Ų | 62 | 139.3 Ų | 139.3 | 64% | 0.639 | 77% | 0.768 | S | S | * | * | | | trans | -89.6 | -179.1 | 153.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 175 | P | 41.9 | Very low | 36.1 | Very low | 115 Ų | 115 | 136 Ų | 136 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | | | trans | -86 | -173 | -172.2 | 36.1 | -37.1 | 0 | 0 | 0 | 114.4 | | |
| 176 | E | 33.2 | Very low | 35.5 | Very low | 174 Ų | 174 | 138.4 Ų | 138.4 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | trans | 100.3 | 138.8 | 165.8 | -58.7 | -52.8 | 141.1 | 0 | 0 | 120.4 | | |
| 177 | A | 33.8 | Very low | 34.9 | Very low | 86 Ų | 86 | 135.2 Ų | 135.2 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | | | trans | 62.5 | 112 | 154.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 178 | N | 32.2 | Very low | 34.1 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 77% | 0.765 | 75% | 0.749 | S | S | * | * | | | | 59 | 145.8 | 129.8 | -91.5 | 20.6 | 0 | 0 | 0 | 125.2 | | |
| 179 | E | 32.8 | Very low | 33.9 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | | | trans | 63.5 | 111.3 | 145 | -71.2 | 179.4 | 111.1 | 0 | 0 | 122.8 | | |
| 180 | V | 35.9 | Very low | 33.7 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 74% | 0.739 | 75% | 0.746 | S | S | * | * | | | | 63 | 108.9 | 121 | -179.3 | 0 | 0 | 0 | 0 | 119.7 | | |
| 181 | S | 31.6 | Very low | 33.5 | Very low | 100 Ų | 100 | 130.5 Ų | 130.5 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | | | trans | 84.1 | 133.3 | 139.8 | -77.9 | 0 | 0 | 0 | 0 | 124.4 | | |
| 182 | E | 31.9 | Very low | 33.9 | Very low | 162 Ų | 162 | 128.8 Ų | 128.8 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | | | trans | 90.3 | 99.7 | 132.4 | -72.8 | -179.3 | 178.9 | 0 | 0 | 124.8 | | |
| 183 | I | 36.8 | Very low | 33.7 | Very low | 143 Ų | 143 | 133 Ų | 133 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | | | | 58.7 | 157 | 126.7 | -42.1 | 155.6 | 0 | 0 | 0 | 120.5 | | |
| 184 | I | 31.4 | Very low | 33.8 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | | | trans | 81.5 | 103.9 | 169.8 | -45.2 | -178.9 | 0 | 0 | 0 | 114 | | |
| 185 | S | 28.8 | Very low | 34.2 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | | | cis | 85.9 | 103.4 | 35.2 | -55.7 | 0 | 0 | 0 | 0 | 116.9 | | |
| 186 | L | 32.3 | Very low | 34.3 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | | | trans | 159.2 | 124.5 | 138.2 | -102.8 | 54.3 | 0 | 0 | 0 | 107.3 | | |
| 187 | S | 27 | Very low | 34.6 | Very low | 81 Ų | 81 | 133.8 Ų | 133.8 | 57% | 0.566 | 75% | 0.75 | S | S | * | * | | | cis | 93.1 | 107.9 | 43.5 | -176.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 188 | N | 28 | Very low | 35.2 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | | | | 169.1 | 112.4 | 125 | -80.9 | -29.9 | 0 | 0 | 0 | 109.8 | | |
| 189 | K | 32.7 | Very low | 36.2 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | | | | 65.5 | 94.8 | 91.2 | -67.6 | 174.2 | -172.1 | 169.2 | 0 | 112.3 | | |
| 190 | S | 33.3 | Very low | 36.4 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | | | | 100.5 | 118.5 | 87.2 | 63.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 191 | S | 36.4 | Very low | 36.9 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | | 67.4 | 138.7 | 82.3 | -163.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 192 | P | 43.9 | Very low | 37.7 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | | | cis | -134.7 | -175.2 | 24.7 | 41.9 | -23.7 | 0 | 0 | 0 | 117.3 | | |
| 193 | F | 36.3 | Very low | 38 | Very low | 191 Ų | 191 | 136.5 Ų | 136.5 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | | | trans | -73 | 153.1 | -178.9 | -68.6 | -102 | 0 | 0 | 0 | 115.3 | | |
| 194 | H | 35.7 | Very low | 38.4 | Very low | 190 Ų | 190 | 137.7 Ų | 137.7 | 88% | 0.88 | 77% | 0.769 | S | S | * | * | | | trans | -143 | 123.7 | 144.4 | -93.5 | -58.1 | 0 | 0 | 0 | 111.1 | | |
| 195 | A | 43.2 | Very low | 39.4 | Very low | 95 Ų | 95 | 135.5 Ų | 135.5 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | trans | -98.4 | 124.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 196 | K | 44.2 | Very low | 39.6 | Very low | 198 Ų | 198 | 142.9 Ų | 142.9 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | | | trans | -148.4 | 133.3 | 170.5 | -70.9 | -169.5 | 179.6 | 176.3 | 0 | 113.7 | | |
| 197 | S | 38 | Very low | 40.1 | Very low | 94 Ų | 94 | 144.4 Ų | 144.4 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | | | trans | 50.5 | 111.7 | 148.9 | -156 | 0 | 0 | 0 | 0 | 120.4 | F199 | S197-F199 VanDerWaalsContact C-N 3.28Å; S197-F199 PolarHBondContact O-N 2.87Å |
| 198 | A | 47.4 | Very low | 40.5 | Very low | 98 Ų | 98 | 145.5 Ų | 145.5 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -81.3 | 58 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 199 | F | 53.3 | Low | 40.8 | Very low | 196 Ų | 196 | 143.3 Ų | 143.3 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | trans | -153 | 70.5 | 162.1 | -82.2 | -59.8 | 0 | 0 | 0 | 110.9 | S197 | S197-F199 VanDerWaalsContact C-N 3.28Å; S197-F199 PolarHBondContact O-N 2.87Å |
| 200 | H | 36.6 | Very low | 40.8 | Very low | 173 Ų | 173 | 140.5 Ų | 140.5 | 80% | 0.801 | 80% | 0.801 | S | S | * | * | | | trans | -135 | 122.5 | 166.9 | -96.7 | -81.8 | 0 | 0 | 0 | 109.9 | | |
| 201 | A | 46.6 | Very low | 41.6 | Very low | 86 Ų | 86 | 140 Ų | 140 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | | | trans | -75 | 139.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | N203 | A201-N203 PolarHBondContact O-N 3.49Š|
| 202 | P | 47.6 | Very low | 41.6 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | | | trans | -66.9 | 117.3 | 177.1 | -21.3 | 33.5 | 0 | 0 | 0 | 112.1 | H204 | P202-H204 PolarHBondContact O-N 3.44Š|
| 203 | N | 38.6 | Very low | 41.6 | Very low | 162 Ų | 162 | 145.7 Ų | 145.7 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | | | trans | -72.9 | 110.9 | 159.4 | -79 | -34.2 | 0 | 0 | 0 | 108.4 | A201 | A201-N203 PolarHBondContact O-N 3.49Š|
| 204 | H | 44.2 | Very low | 42 | Very low | 168 Ų | 168 | 142.3 Ų | 142.3 | 78% | 0.778 | 80% | 0.799 | S | S | * | * | | | trans | -131.1 | 149.6 | 164.8 | -89.5 | -60.8 | 0 | 0 | 0 | 111.6 | P202 | P202-H204 PolarHBondContact O-N 3.44Š|
| 205 | P | 53.3 | Low | 41.7 | Very low | 105 Ų | 105 | 141 Ų | 141 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | | | trans | -131.7 | 122.1 | -138.1 | 33.6 | -13.7 | 0 | 0 | 0 | 113.8 | | |
| 206 | W | 33 | Very low | 41.8 | Very low | 253 Ų | 253 | 145.9 Ų | 145.9 | 96% | 0.958 | 80% | 0.797 | S | S | * | * | | | trans | -121.7 | 104 | 166.4 | -77.5 | 77.5 | 0 | 0 | 0 | 110.6 | | |
| 207 | K | 42.4 | Very low | 41.8 | Very low | 200 Ų | 200 | 142 Ų | 142 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | | | trans | -88.6 | 160 | 150.9 | -65.7 | -166.1 | 176.1 | -170.7 | 0 | 107.4 | | |
| 208 | A | 35.6 | Very low | 41.9 | Very low | 103 Ų | 103 | 145.8 Ų | 145.8 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | | | cis | -139.4 | 154 | 9.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 209 | G | 33.6 | Very low | 41.5 | Very low | 84 Ų | 84 | 150.7 Ų | 150.7 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | | | trans | -173.1 | 100.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 210 | S | 33.7 | Very low | 40.7 | Very low | 114 Ų | 114 | 148.4 Ų | 148.4 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | | | trans | -129.8 | 160.2 | -167.1 | -171.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 211 | P | 49.2 | Very low | 40.7 | Very low | 92 Ų | 92 | 144.2 Ų | 144.2 | 60% | 0.597 | 80% | 0.799 | S | S | * | * | | | cis | -115.5 | -175.7 | -42.4 | 37.1 | -24.7 | 0 | 0 | 0 | 110.1 | | |
| 212 | F | 36.1 | Very low | 40.9 | Very low | 196 Ų | 196 | 145.7 Ų | 145.7 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | | 163.7 | 115.9 | 129.4 | -89.4 | -63.5 | 0 | 0 | 0 | 110.8 | | |
| 213 | L | 44.5 | Very low | 40.4 | Very low | 148 Ų | 148 | 147.6 Ų | 147.6 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | | | trans | -87.5 | 155.1 | 154.3 | -80.4 | 166.9 | 0 | 0 | 0 | 108.3 | | |
| 214 | P | 45.7 | Very low | 40.7 | Very low | 119 Ų | 119 | 150 Ų | 150 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | | | | -124.3 | 140 | 88.5 | 37.7 | -31.5 | 0 | 0 | 0 | 110.8 | | |
| 215 | E | 29.2 | Very low | 40.5 | Very low | 163 Ų | 163 | 145.6 Ų | 145.6 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | | | | 60.5 | 104.7 | 55.8 | -166.8 | 155.9 | -156.3 | 0 | 0 | 113.4 | | |
| 216 | F | 44.8 | Very low | 39.9 | Very low | 197 Ų | 197 | 151 Ų | 151 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | | | trans | -83.5 | 137.8 | 179 | -74.8 | -92.3 | 0 | 0 | 0 | 112 | | |
| 217 | P | 45.1 | Very low | 40 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | | | trans | -106.7 | 164.5 | 144.8 | 34.4 | -28.6 | 0 | 0 | 0 | 111.9 | | |
| 218 | H | 39.1 | Very low | 39.8 | Very low | 174 Ų | 174 | 137.8 Ų | 137.8 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | | | trans | -94.5 | 157.1 | -167.7 | -55.2 | -87.4 | 0 | 0 | 0 | 114.8 | | |
| 219 | K | 38.5 | Very low | 40.1 | Very low | 201 Ų | 201 | 140.8 Ų | 140.8 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | | | trans | 74.5 | 144.5 | 172.5 | -46.4 | -178.7 | -175.3 | -177.5 | 0 | 111.6 | | |
| 220 | V | 37 | Very low | 40.1 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 90% | 0.903 | 80% | 0.802 | S | S | * | * | | | cis | -140.3 | -178.1 | 36.5 | -147.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 221 | A | 36.2 | Very low | 40.5 | Very low | 85 Ų | 85 | 141.9 Ų | 141.9 | 70% | 0.702 | 80% | 0.802 | S | S | * | * | | | trans | -148.5 | 173 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 222 | P | 51.8 | Low | 39.9 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | | | cis | -132.2 | 144.2 | -44.9 | 34.8 | -20.1 | 0 | 0 | 0 | 112.8 | | |
| 223 | T | 37.5 | Very low | 40 | Very low | 153 Ų | 153 | 147 Ų | 147 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | | | trans | -143 | 148.6 | 174.6 | 40.5 | 0 | 0 | 0 | 0 | 115.4 | | |
| 224 | K | 44.2 | Very low | 39.8 | Very low | 212 Ų | 212 | 148.5 Ų | 148.5 | 92% | 0.922 | 82% | 0.818 | S | S | * | * | | | trans | -63.4 | 147.8 | -171.1 | -57.3 | 166.6 | 179.7 | 174.7 | 0 | 115 | | |
| 225 | G | 40.8 | Very low | 39.6 | Very low | 76 Ų | 76 | 148.5 Ų | 148.5 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | | | trans | -169.4 | 143.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 226 | F | 40.2 | Very low | 40.2 | Very low | 218 Ų | 218 | 149.9 Ų | 149.9 | 96% | 0.956 | 83% | 0.826 | S | S | * | * | | | trans | -110.2 | 147.8 | -174.3 | -90.1 | -90.3 | 0 | 0 | 0 | 113 | | |
| 227 | G | 34.4 | Very low | 40.1 | Very low | 73 Ų | 73 | 147.7 Ų | 147.7 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | | | trans | 112.9 | 140.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 228 | S | 39 | Very low | 40.1 | Very low | 103 Ų | 103 | 147.8 Ų | 147.8 | 72% | 0.72 | 82% | 0.823 | S | S | * | * | | | cis | -164.2 | 142.7 | -9.1 | 53.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 229 | I | 40.8 | Very low | 40.1 | Very low | 166 Ų | 166 | 148.7 Ų | 148.7 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | | | trans | 73 | 150.5 | 161.4 | -57.3 | 154 | 0 | 0 | 0 | 116.1 | | |
| 230 | S | 33.8 | Very low | 40.2 | Very low | 99 Ų | 99 | 149.6 Ų | 149.6 | 69% | 0.692 | 83% | 0.827 | S | S | * | * | | | trans | -134.3 | 147.7 | 178.2 | -168.2 | 0 | 0 | 0 | 0 | 107.2 | | |
| 231 | P | 43.5 | Very low | 40.2 | Very low | 123 Ų | 123 | 147.7 Ų | 147.7 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | | | | -148.8 | 131.1 | 86.2 | 35.5 | -16.1 | 0 | 0 | 0 | 115.8 | | |
| 232 | Y | 35.2 | Very low | 40.7 | Very low | 225 Ų | 225 | 148 Ų | 148 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | | | trans | -140.7 | 137.7 | 147.8 | -161.4 | -102.3 | 0 | 0 | 0 | 110.1 | | |
| 233 | M | 39.2 | Very low | 40 | Very low | 169 Ų | 169 | 150.2 Ų | 150.2 | 83% | 0.833 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 135.2 | -167.2 | -59.6 | -115.3 | 74.1 | 0 | 0 | 111.9 | | |
| 234 | Q | 39.6 | Very low | 40.1 | Very low | 181 Ų | 181 | 153.2 Ų | 153.2 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 152.7 | 159.6 | -85 | -171.7 | -40.2 | 0 | 0 | 110.5 | | |
| 235 | P | 42.5 | Very low | 39.8 | Very low | 119 Ų | 119 | 153.6 Ų | 153.6 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 139.1 | -175.5 | 29.1 | -35.3 | 0 | 0 | 0 | 112.2 | | |
| 236 | M | 41.9 | Very low | 39.5 | Very low | 191 Ų | 191 | 158.4 Ų | 158.4 | 94% | 0.941 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 131.7 | 173.8 | -78.5 | -177.2 | 165.5 | 0 | 0 | 111.9 | | |
| 237 | I | 42.9 | Very low | 39.3 | Very low | 151 Ų | 151 | 154.8 Ų | 154.8 | 77% | 0.774 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 134.5 | 158.2 | -60.1 | 175 | 0 | 0 | 0 | 106.6 | E239 | I237-E239 PolarHBondContact O-N 3.48Š|
| 238 | P | 44.3 | Very low | 39.4 | Very low | 119 Ų | 119 | 161 Ų | 161 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | trans | -68.8 | 111.7 | 177.4 | -19.6 | 32.9 | 0 | 0 | 0 | 111.7 | | |
| 239 | E | 39.4 | Very low | 39.4 | Very low | 193 Ų | 193 | 164.8 Ų | 164.8 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 130.8 | 174.3 | -163.1 | 158.4 | -138.8 | 0 | 0 | 109.5 | I237 | I237-E239 PolarHBondContact O-N 3.48Š|
| 240 | Y | 40.4 | Very low | 39.3 | Very low | 220 Ų | 220 | 160.8 Ų | 160.8 | 86% | 0.863 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -81 | 131.6 | -171.8 | -82.9 | -99.7 | 0 | 0 | 0 | 111.8 | | |
| 241 | S | 36.5 | Very low | 39.5 | Very low | 109 Ų | 109 | 163.6 Ų | 163.6 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 133.5 | 170.3 | -173.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 242 | P | 46.8 | Very low | 39 | Very low | 92 Ų | 92 | 168.3 Ų | 168.3 | 60% | 0.597 | 81% | 0.813 | S | S | * | * | | | trans | -78.6 | -170.4 | 165.2 | 34.1 | -33.8 | 0 | 0 | 0 | 111.5 | | |
| 243 | H | 36.6 | Very low | 39 | Very low | 162 Ų | 162 | 161.4 Ų | 161.4 | 75% | 0.75 | 80% | 0.802 | S | S | * | * | | | trans | 79.4 | 98.9 | 178 | -45.4 | -68.1 | 0 | 0 | 0 | 116.4 | | |
| 244 | F | 39.3 | Very low | 38.9 | Very low | 216 Ų | 216 | 159 Ų | 159 | 95% | 0.947 | 80% | 0.799 | S | S | * | * | | | | -174 | 99.5 | 118.4 | -90.3 | -60.4 | 0 | 0 | 0 | 108.4 | | |
| 245 | Y | 37.9 | Very low | 38.7 | Very low | 221 Ų | 221 | 161.6 Ų | 161.6 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | | | trans | -148.7 | 81.3 | 177.8 | -163.9 | -84.6 | 0 | 0 | 0 | 110.8 | | |
| 246 | E | 36 | Very low | 38.6 | Very low | 177 Ų | 177 | 163.7 Ų | 163.7 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | | | trans | -161.3 | 162.7 | 158.7 | -122.5 | -176 | 124.3 | 0 | 0 | 111.4 | | |
| 247 | H | 36.2 | Very low | 38.6 | Very low | 142 Ų | 142 | 162.7 Ų | 162.7 | 66% | 0.657 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 64.1 | 117.1 | -177.3 | -85 | 38.4 | 0 | 0 | 0 | 116.9 | | |
| 248 | R | 35.3 | Very low | 38.7 | Very low | 204 Ų | 204 | 161.4 Ų | 161.4 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | | | cis | -146 | 141.5 | -12.9 | -75 | -167.5 | 177.1 | -166.6 | 1.5 | 110 | | |
| 249 | L | 38.8 | Very low | 38.1 | Very low | 181 Ų | 181 | 159.8 Ų | 159.8 | 95% | 0.948 | 81% | 0.811 | S | S | * | * | | | trans | -103.7 | 106.2 | 156 | -80.9 | 172.8 | 0 | 0 | 0 | 109.7 | | |
| 250 | A | 39.6 | Very low | 37.7 | Very low | 83 Ų | 83 | 157.7 Ų | 157.7 | 69% | 0.686 | 81% | 0.806 | S | S | * | * | | | trans | -152.8 | 135.5 | 158 | 0 | 0 | 0 | 0 | 0 | 105.1 | | |
| 251 | I | 38.5 | Very low | 37.8 | Very low | 157 Ų | 157 | 151.9 Ų | 151.9 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | S | Bend | cis | -139.6 | 115.5 | 23.5 | -59.6 | 153.4 | 0 | 0 | 0 | 110 | | |
| 252 | Y | 32.5 | Very low | 37.7 | Very low | 223 Ų | 223 | 156 Ų | 156 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | | | trans | -172 | 141.9 | 131.5 | -132 | -96.3 | 0 | 0 | 0 | 110.2 | | |
| 253 | A | 34.2 | Very low | 36.9 | Very low | 79 Ų | 79 | 157.2 Ų | 157.2 | 65% | 0.653 | 81% | 0.814 | S | S | * | * | | | trans | -119.1 | 126.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 254 | P | 37 | Very low | 36.7 | Very low | 119 Ų | 119 | 157.3 Ų | 157.3 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 144.3 | 161.7 | 33.2 | -31.1 | 0 | 0 | 0 | 109.9 | | |
| 255 | Y | 36.4 | Very low | 36.3 | Very low | 235 Ų | 235 | 151.2 Ų | 151.2 | 92% | 0.922 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 135.5 | -177.4 | -69.3 | -94 | 0 | 0 | 0 | 112.1 | | |
| 256 | L | 40.9 | Very low | 36 | Very low | 164 Ų | 164 | 146.4 Ų | 146.4 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 130.5 | 175 | -69.3 | 168.3 | 0 | 0 | 0 | 110.9 | | |
| 257 | L | 40.5 | Very low | 36 | Very low | 170 Ų | 170 | 142 Ų | 142 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | | | trans | -125 | 117.1 | 153.5 | -79.9 | 172.2 | 0 | 0 | 0 | 107.5 | G259 | L257-G259 PolarHBondContact O-N 2.91Š|
| 258 | P | 45.2 | Very low | 36 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 130.6 | 177.1 | -21.4 | 33.4 | 0 | 0 | 0 | 111 | N260 | P258-N260 PolarHBondContact O-N 2.85Š|
| 259 | G | 32.3 | Very low | 35.9 | Very low | 85 Ų | 85 | 139 Ų | 139 | 88% | 0.876 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 117.8 | 169 | 0 | 0 | 0 | 0 | 0 | 110 | L257 | L257-G259 PolarHBondContact O-N 2.91Š|
| 260 | N | 30.3 | Very low | 35.8 | Very low | 149 Ų | 149 | 136 Ų | 136 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 144.1 | 168.5 | -162.4 | 28.8 | 0 | 0 | 0 | 110 | P258 | P258-N260 PolarHBondContact O-N 2.85Š|
| 261 | S | 42.4 | Very low | 35.6 | Very low | 99 Ų | 99 | 142.8 Ų | 142.8 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 124.7 | -176.8 | 55 | 0 | 0 | 0 | 0 | 111.7 | | |
| 262 | E | 34.4 | Very low | 35.4 | Very low | 194 Ų | 194 | 139.1 Ų | 139.1 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | | | trans | -158.1 | 179.8 | 158.9 | -118 | 151.4 | -128.1 | 0 | 0 | 111.8 | | |
| 263 | C | 31.2 | Very low | 35.6 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -113 | -178 | -160 | -150 | 0 | 0 | 0 | 0 | 114.1 | | |
| 264 | E | 31.6 | Very low | 35.6 | Very low | 164 Ų | 164 | 139.2 Ų | 139.2 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | | | trans | 76 | 118.2 | 159.2 | -69.1 | -130.5 | 67.6 | 0 | 0 | 121.4 | | |
| 265 | S | 30.2 | Very low | 35.6 | Very low | 88 Ų | 88 | 141 Ų | 141 | 62% | 0.615 | 80% | 0.804 | S | S | * | * | | | | 70.5 | 116.1 | 120.4 | -61.1 | 0 | 0 | 0 | 0 | 122.9 | | |
| 266 | S | 31.6 | Very low | 35.7 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | | | trans | 55.7 | 127.8 | 136.1 | -52.8 | 0 | 0 | 0 | 0 | 119.6 | | |
| 267 | A | 36.5 | Very low | 35.5 | Very low | 84 Ų | 84 | 139.5 Ų | 139.5 | 69% | 0.694 | 79% | 0.794 | S | S | * | * | | | | -178.6 | 143.1 | 57.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 268 | L | 37.3 | Very low | 35.6 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | | | trans | 56.4 | 161.9 | 135.5 | -61.7 | 177 | 0 | 0 | 0 | 124.3 | | |
| 269 | S | 33 | Very low | 35.3 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | 85.7 | 114 | 168.2 | -141.6 | 0 | 0 | 0 | 0 | 116.5 | | |
| 270 | V | 36.1 | Very low | 35.9 | Very low | 119 Ų | 119 | 145.8 Ų | 145.8 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | | | cis | 112.5 | 109.5 | 18.5 | 171.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 271 | Y | 35.2 | Very low | 36.6 | Very low | 225 Ų | 225 | 144.1 Ų | 144.1 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | | | trans | 50.7 | 122.6 | 158.2 | -86 | -106.6 | 0 | 0 | 0 | 120.7 | | |
| 272 | G | 35 | Very low | 36.3 | Very low | 80 Ų | 80 | 148.1 Ų | 148.1 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | -159 | 100.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 273 | T | 36 | Very low | 36.6 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | | | trans | -92.2 | 145.5 | 168.8 | 48.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 274 | Q | 33.6 | Very low | 37.1 | Very low | 181 Ų | 181 | 141.1 Ų | 141.1 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | | | | -177.5 | 148.4 | 117.5 | -172 | 150.5 | -20.4 | 0 | 0 | 112 | | |
| 275 | E | 37.7 | Very low | 37.7 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | | | trans | -83.9 | 132 | 173.3 | 169.2 | -171.2 | 179.8 | 0 | 0 | 111.5 | | |
| 276 | Q | 38.8 | Very low | 38.4 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | trans | -166.6 | 174.4 | 140.5 | -109.5 | 166.7 | 13.2 | 0 | 0 | 112.2 | | |
| 277 | R | 37.2 | Very low | 39.2 | Very low | 184 Ų | 184 | 143.4 Ų | 143.4 | 69% | 0.694 | 79% | 0.794 | S | S | * | * | | | trans | -117 | 168.6 | -153.5 | -41.9 | 179.6 | -160.9 | 150.3 | 5.8 | 114.7 | | |
| 278 | H | 41.7 | Very low | 39.7 | Very low | 148 Ų | 148 | 148.5 Ų | 148.5 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | | | trans | 66.3 | 125.3 | 158.9 | -40.9 | 139.4 | 0 | 0 | 0 | 117.3 | | |
| 279 | F | 38.9 | Very low | 40.3 | Very low | 204 Ų | 204 | 146.6 Ų | 146.6 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | | | | -160.2 | 141.7 | 106.2 | -94.8 | -68.3 | 0 | 0 | 0 | 109.1 | | |
| 280 | I | 45.8 | Very low | 40.9 | Very low | 157 Ų | 157 | 149 Ų | 149 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | | | trans | -110.2 | 127.1 | 169.4 | -63 | 173.5 | 0 | 0 | 0 | 107.4 | | |
| 281 | P | 43.7 | Very low | 41 | Very low | 115 Ų | 115 | 149.3 Ų | 149.3 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | | | trans | -113.3 | 103.1 | 161.4 | 24.8 | -7.7 | 0 | 0 | 0 | 111.1 | | |
| 282 | H | 36.4 | Very low | 41.5 | Very low | 183 Ų | 183 | 144.7 Ų | 144.7 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | | | trans | 31.9 | 150.9 | 151.2 | -60.9 | -80.6 | 0 | 0 | 0 | 123.5 | | |
| 283 | A | 40.6 | Very low | 42 | Very low | 104 Ų | 104 | 145.6 Ų | 145.6 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -72 | 138.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 284 | G | 42.2 | Very low | 42.4 | Very low | 62 Ų | 62 | 144.2 Ų | 144.2 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 169.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 285 | P | 44.4 | Very low | 42.8 | Very low | 134 Ų | 134 | 146.3 Ų | 146.3 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 140.2 | -173.3 | -20.2 | 33.5 | 0 | 0 | 0 | 114.3 | | |
| 286 | L | 44.2 | Very low | 42.9 | Very low | 167 Ų | 167 | 145.3 Ų | 145.3 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -74 | 129.7 | 173.9 | -70.9 | 167.9 | 0 | 0 | 0 | 111.6 | | |
| 287 | P | 48.2 | Very low | 43.2 | Very low | 119 Ų | 119 | 144.6 Ų | 144.6 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 144.1 | 170.4 | 30.4 | -33.5 | 0 | 0 | 0 | 111.3 | | |
| 288 | K | 47.2 | Very low | 43.2 | Very low | 191 Ų | 191 | 146.6 Ų | 146.6 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -71 | 144.1 | 179.3 | -61.3 | 174.1 | -176.9 | 176 | 0 | 110.8 | | |
| 289 | P | 49.5 | Very low | 43.3 | Very low | 131 Ų | 131 | 149 Ų | 149 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 139.7 | 178.3 | 28 | -34.6 | 0 | 0 | 0 | 111.9 | | |
| 290 | I | 46.5 | Very low | 43.8 | Very low | 161 Ų | 161 | 146.7 Ų | 146.7 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 143.6 | 179.1 | -64.4 | 174.9 | 0 | 0 | 0 | 110.2 | | |
| 291 | N | 38 | Very low | 43.3 | Very low | 125 Ų | 125 | 149.3 Ų | 149.3 | 67% | 0.668 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 125.6 | -172.6 | -173.8 | 6.1 | 0 | 0 | 0 | 113.2 | S293 | N291-S293 PolarHBondContact O-N 2.87Å; N291-S293 VanDerWaalsContact O-N 3.16Å |
| 292 | P | 45.3 | Very low | 42.9 | Very low | 128 Ų | 128 | 152 Ų | 152 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | | | trans | -88.1 | 71.1 | -175.9 | 36.2 | -37.3 | 0 | 0 | 0 | 113.5 | | |
| 293 | S | 46 | Very low | 43.1 | Very low | 99 Ų | 99 | 149.3 Ų | 149.3 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | | | trans | -125.7 | 21.5 | 180 | 78.4 | 0 | 0 | 0 | 0 | 115.5 | N291 | N291-S293 PolarHBondContact O-N 2.87Å; N291-S293 VanDerWaalsContact O-N 3.16Å |
| 294 | A | 44.5 | Very low | 42.9 | Very low | 95 Ų | 95 | 155.8 Ų | 155.8 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -118.5 | 25.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 295 | Y | 43 | Very low | 42.9 | Very low | 225 Ų | 225 | 159.4 Ų | 159.4 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | | | trans | -144 | 38.3 | -177.5 | -137 | -89 | 0 | 0 | 0 | 115.2 | | |
| 296 | E | 39.7 | Very low | 42.4 | Very low | 134 Ų | 134 | 158.8 Ų | 158.8 | 63% | 0.626 | 79% | 0.792 | S | S | * | * | | | trans | -120.6 | 64.4 | 167.7 | -88.9 | -74.3 | -174.1 | 0 | 0 | 109.7 | R299 | E296-R299 IonicContact OE1-NH2 2.71Å; E296-R299 PolarHBondContact OE1-NH2 2.93Å |
| 297 | H | 44.3 | Very low | 42 | Very low | 171 Ų | 171 | 157.4 Ų | 157.4 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | | | trans | -132.2 | 152 | 165.6 | -83.3 | 43.7 | 0 | 0 | 0 | 108 | | |
| 298 | Y | 37.3 | Very low | 41.9 | Very low | 225 Ų | 225 | 156.7 Ų | 156.7 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | | | trans | 70 | 52 | -170 | -57.1 | -76.7 | 0 | 0 | 0 | 116.7 | | |
| 299 | R | 44.1 | Very low | 42.2 | Very low | 198 Ų | 198 | 153.9 Ų | 153.9 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | | | trans | -122.9 | 30.6 | 156 | -84.8 | -144 | -71.7 | 178.3 | -7.1 | 115.2 | E296 | E296-R299 IonicContact OE1-NH2 2.71Å; E296-R299 PolarHBondContact OE1-NH2 2.93Å |
| 300 | L | 49.1 | Very low | 42.1 | Very low | 157 Ų | 157 | 154.5 Ų | 154.5 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | | | trans | -128.2 | 104.5 | 161.9 | -86 | 91.1 | 0 | 0 | 0 | 110.9 | | |
| 301 | F | 36 | Very low | 41.7 | Very low | 211 Ų | 211 | 152.7 Ų | 152.7 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | | | trans | -162 | 120.3 | 139 | -92.6 | -62 | 0 | 0 | 0 | 108.1 | | |
| 302 | Q | 34.4 | Very low | 42 | Very low | 173 Ų | 173 | 158.3 Ų | 158.3 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | | | trans | -143.9 | 150.8 | 170.5 | -118.3 | -148.4 | 90.7 | 0 | 0 | 109.6 | | |
| 303 | Q | 40.9 | Very low | 41.8 | Very low | 126 Ų | 126 | 155.4 Ų | 155.4 | 59% | 0.589 | 79% | 0.787 | S | S | * | * | | | trans | 62.8 | 111.1 | 169.9 | -58.3 | 174.4 | -99.9 | 0 | 0 | 117.7 | | |
| 304 | Y | 35.3 | Very low | 41.7 | Very low | 239 Ų | 239 | 160.7 Ų | 160.7 | 94% | 0.937 | 80% | 0.798 | S | S | * | * | | | | -145.1 | 164 | 118.7 | -95.9 | -70.9 | 0 | 0 | 0 | 108.7 | | |
| 305 | H | 43.2 | Very low | 41.2 | Very low | 139 Ų | 139 | 162 Ų | 162 | 64% | 0.644 | 80% | 0.8 | S | S | * | * | | | trans | -121.7 | 157.2 | -151.9 | -60.3 | -105.7 | 0 | 0 | 0 | 114.4 | | |
| 306 | S | 34.3 | Very low | 41.3 | Very low | 120 Ų | 120 | 161.2 Ų | 161.2 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | | | trans | -174.1 | 104.4 | 144.9 | -84.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 307 | T | 36.4 | Very low | 41.4 | Very low | 139 Ų | 139 | 160.5 Ų | 160.5 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | | | trans | -155.5 | 147.6 | 159.1 | 29.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 308 | P | 45.9 | Very low | 41 | Very low | 103 Ų | 103 | 157.1 Ų | 157.1 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | | | trans | -78.1 | 160.4 | -173.3 | 32.2 | -36.7 | 0 | 0 | 0 | 114 | | |
| 309 | P | 52.7 | Low | 41.3 | Very low | 132 Ų | 132 | 153.5 Ų | 153.5 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | | | trans | -75.6 | 132.2 | 180 | 30.9 | -34.6 | 0 | 0 | 0 | 112.5 | | |
| 310 | I | 46.3 | Very low | 41.4 | Very low | 145 Ų | 145 | 149.6 Ų | 149.6 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | | | trans | -122.4 | 137.7 | 171.4 | -64.3 | 179.3 | 0 | 0 | 0 | 106.5 | | |
| 311 | P | 38.8 | Very low | 41.5 | Very low | 123 Ų | 123 | 146.6 Ų | 146.6 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | | | trans | -62.7 | 153.3 | -164.1 | 21.1 | -33.5 | 0 | 0 | 0 | 115.2 | | |
| 312 | Y | 43.5 | Very low | 41.3 | Very low | 243 Ų | 243 | 144.6 Ų | 144.6 | 95% | 0.953 | 77% | 0.771 | S | S | * | * | | | trans | -64.2 | 132 | -168.4 | -85.7 | -108.3 | 0 | 0 | 0 | 113.9 | | |
| 313 | G | 42.7 | Very low | 41.4 | Very low | 67 Ų | 67 | 145.3 Ų | 145.3 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -170.2 | 52.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 314 | F | 43.5 | Very low | 41.1 | Very low | 209 Ų | 209 | 150.2 Ų | 150.2 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | | | trans | 62.8 | 70.3 | 173.1 | -60.8 | -80.3 | 0 | 0 | 0 | 118 | | |
| 315 | C | 32.9 | Very low | 40.9 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | | | trans | -99.9 | 123.9 | 141.2 | -80.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 316 | R | 46.1 | Very low | 40.2 | Very low | 209 Ų | 209 | 146.2 Ų | 146.2 | 79% | 0.789 | 78% | 0.781 | S | S | * | * | | | | 62 | 126.5 | 93.6 | -75.3 | -86.2 | -167.8 | 150.4 | 1.2 | 112.4 | | |
| 317 | P | 42.3 | Very low | 40.5 | Very low | 119 Ų | 119 | 149.7 Ų | 149.7 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | | -139 | 135.2 | 76.5 | 32.8 | -14.8 | 0 | 0 | 0 | 114.2 | | |
| 318 | T | 35.3 | Very low | 40.4 | Very low | 100 Ų | 100 | 149.6 Ų | 149.6 | 61% | 0.613 | 78% | 0.783 | S | S | * | * | | | | 79.7 | 100.7 | 86.7 | -53.1 | 0 | 0 | 0 | 0 | 114 | | |
| 319 | D | 44.4 | Very low | 39.7 | Very low | 149 Ų | 149 | 149.4 Ų | 149.4 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | | | trans | -58 | 148.4 | 158.9 | -39.3 | -92.1 | 0 | 0 | 0 | 110 | | |
| 320 | P | 46.3 | Very low | 38.7 | Very low | 117 Ų | 117 | 146.4 Ų | 146.4 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | | | | -148.9 | -146.8 | 93.3 | 41.1 | -19.6 | 0 | 0 | 0 | 112.5 | | |
| 321 | P | 49.3 | Very low | 38.3 | Very low | 94 Ų | 94 | 147.4 Ų | 147.4 | 61% | 0.61 | 79% | 0.788 | S | S | * | * | | | | -129.6 | -159.8 | -111.3 | 39.1 | -16.6 | 0 | 0 | 0 | 114.6 | | |
| 322 | F | 32.7 | Very low | 38 | Very low | 168 Ų | 168 | 148.7 Ų | 148.7 | 74% | 0.737 | 79% | 0.788 | S | S | * | * | | | trans | 78.8 | 148.3 | -179 | -53.6 | -73.6 | 0 | 0 | 0 | 113.9 | | |
| 323 | Y | 35.9 | Very low | 37.4 | Very low | 188 Ų | 188 | 147.2 Ų | 147.2 | 74% | 0.737 | 78% | 0.781 | S | S | * | * | | | cis | -120.3 | 141.3 | 19.3 | -85.5 | -102.3 | 0 | 0 | 0 | 115.6 | F325 | Y323-F325 AromaticContact CD1-CD2 3.87Å; Y323-F325 HydrophobicContact CD1-CD2 3.87Å; Y323-F325 AromaticContact CD1-CE2 3.31Å; Y323-F325 HydrophobicContact CD1-CE2 3.31Å; Y323-F325 AromaticContact CD1-CZ 3.75Å; Y323-F325 HydrophobicContact CD1-CZ 3.75Å; Y323-F325 AromaticContact CE1-CE2 3.79Å; Y323-F325 HydrophobicContact CE1-CE2 3.79Å; Y323-F325 AromaticContact CE1-CZ 3.8Å; Y323-F325 HydrophobicContact CE1-CZ 3.8Å; Y323-F325 HydrophobicContact CG-CD2 4.36Å; Y323-F325 AromaticContact CG-CE2 3.96Å; Y323-F325 HydrophobicContact CG-CE2 3.96Å |
| 324 | R | 35.1 | Very low | 37 | Very low | 229 Ų | 229 | 150.7 Ų | 150.7 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | | | trans | -84.1 | 151.3 | 137.3 | -64.7 | 179.2 | -177.4 | 163.8 | -0.7 | 107.6 | | |
| 325 | F | 31.5 | Very low | 36.5 | Very low | 184 Ų | 184 | 149.5 Ų | 149.5 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | | | trans | -118.5 | 158.3 | 150.5 | -94.1 | -77.3 | 0 | 0 | 0 | 110.1 | Y323 | Y323-F325 AromaticContact CD1-CD2 3.87Å; Y323-F325 HydrophobicContact CD1-CD2 3.87Å; Y323-F325 AromaticContact CD1-CE2 3.31Å; Y323-F325 HydrophobicContact CD1-CE2 3.31Å; Y323-F325 AromaticContact CD1-CZ 3.75Å; Y323-F325 HydrophobicContact CD1-CZ 3.75Å; Y323-F325 AromaticContact CE1-CE2 3.79Å; Y323-F325 HydrophobicContact CE1-CE2 3.79Å; Y323-F325 AromaticContact CE1-CZ 3.8Å; Y323-F325 HydrophobicContact CE1-CZ 3.8Å; Y323-F325 HydrophobicContact CG-CD2 4.36Å; Y323-F325 AromaticContact CG-CE2 3.96Å; Y323-F325 HydrophobicContact CG-CE2 3.96Å |
| 326 | S | 27.7 | Very low | 36.3 | Very low | 111 Ų | 111 | 150.8 Ų | 150.8 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | -98 | 166.1 | -162.9 | -59.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 327 | H | 41.8 | Very low | 35.6 | Very low | 193 Ų | 193 | 146.2 Ų | 146.2 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | | | trans | -67.1 | 133.5 | 176.2 | -58.2 | -89 | 0 | 0 | 0 | 113.4 | | |
| 328 | V | 33 | Very low | 35.2 | Very low | 137 Ų | 137 | 147.8 Ų | 147.8 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | | | trans | -143.2 | 100.1 | 150.9 | -177.1 | 0 | 0 | 0 | 0 | 104 | | |
| 329 | A | 31.6 | Very low | 34.9 | Very low | 98 Ų | 98 | 150.5 Ų | 150.5 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | | | | 66.6 | 102 | 76.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 330 | G | 31.2 | Very low | 34.3 | Very low | 70 Ų | 70 | 148.4 Ų | 148.4 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | | | trans | 137.1 | 134.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 331 | I | 38.9 | Very low | 33.8 | Very low | 166 Ų | 166 | 150.6 Ų | 150.6 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | | | trans | 57.1 | 104.2 | 144.1 | 62.3 | 165.8 | 0 | 0 | 0 | 122.4 | | |
| 332 | N | 31.8 | Very low | 33.2 | Very low | 150 Ų | 150 | 153.2 Ų | 153.2 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | | | | 72.1 | 131.4 | 113.3 | -153.4 | -6.6 | 0 | 0 | 0 | 121.4 | | |
| 333 | R | 32.6 | Very low | 33.5 | Very low | 212 Ų | 212 | 150.5 Ų | 150.5 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | | | trans | 91.8 | 135.7 | 148 | -141 | 169.4 | -173.6 | 166 | 0.6 | 119.6 | | |
| 334 | D | 34 | Very low | 33.5 | Very low | 139 Ų | 139 | 146.9 Ų | 146.9 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | trans | -72.1 | 148.2 | 173.9 | -31.6 | -107.6 | 0 | 0 | 0 | 111.9 | | |
| 335 | Q | 32.8 | Very low | 33.6 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | | | | -162.3 | 162.9 | 118.8 | -113.6 | 153.7 | 92.9 | 0 | 0 | 114.2 | | |
| 336 | N | 28.4 | Very low | 33.9 | Very low | 149 Ų | 149 | 141.8 Ų | 141.8 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | trans | -111.8 | 119.7 | -174.3 | 166.8 | 28.4 | 0 | 0 | 0 | 109.8 | | |
| 337 | S | 30.9 | Very low | 34 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | trans | -163 | 101.9 | 156.6 | 45.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 338 | H | 33.3 | Very low | 33.8 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 70% | 0.704 | 76% | 0.763 | S | S | * | * | | | trans | -31.1 | 130 | 146.1 | 174.7 | -78.1 | 0 | 0 | 0 | 115.3 | | |
| 339 | L | 30.4 | Very low | 33.6 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | | | trans | -151.8 | 114.3 | 155.9 | -155.6 | 72.8 | 0 | 0 | 0 | 113.2 | | |
| 340 | M | 31.3 | Very low | 33.4 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 51% | 0.512 | 75% | 0.748 | S | S | . | * | | | trans | 40.4 | 116.6 | 140.9 | -48.1 | -70.6 | 59.5 | 0 | 0 | 120 | | |
| 341 | E | 34.6 | Very low | 33.7 | Very low | 163 Ų | 163 | 141 Ų | 141 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | | | | 98 | 156.8 | 100.5 | -78.4 | 176.1 | 147.9 | 0 | 0 | 111 | | |
| 342 | E | 37.5 | Very low | 33.4 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 70% | 0.696 | 72% | 0.721 | S | S | * | * | | | cis | -151.1 | 164.1 | 11.5 | -144.7 | -166.6 | 137 | 0 | 0 | 110.4 | | |
| 343 | T | 39.1 | Very low | 33.8 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 69% | 0.687 | 70% | 0.7 | S | S | * | * | | | trans | 63.8 | 145.7 | 154.9 | 58.7 | 0 | 0 | 0 | 0 | 120.6 | | |
| 344 | T | 35.7 | Very low | 33.7 | Very low | 111 Ų | 111 | 124 Ų | 124 | 68% | 0.681 | 68% | 0.677 | S | S | * | * | | | cis | -163.2 | 134.5 | -9.5 | -113.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 345 | L | 38 | Very low | 33.7 | Very low | 134 Ų | 134 | 126.3 Ų | 126.3 | 70% | 0.702 | 68% | 0.683 | S | S | * | * | | | trans | 51.5 | 138.6 | 151.2 | -51.3 | 175.7 | 0 | 0 | 0 | 119.8 | | |
| 346 | L | 36.3 | Very low | 33.4 | Very low | 173 Ų | 173 | 127.1 Ų | 127.1 | 91% | 0.906 | 69% | 0.687 | S | S | * | * | | | | -140.3 | 166.2 | 64.9 | -110.2 | 71.7 | 0 | 0 | 0 | 115.6 | | |
| 347 | Y | 31.1 | Very low | 33.5 | Very low | 208 Ų | 208 | 130.4 Ų | 130.4 | 82% | 0.816 | 69% | 0.69 | S | S | * | * | | | trans | -68.8 | 173.4 | -178.4 | -99.7 | -142 | 0 | 0 | 0 | 115.9 | | |
| 348 | P | 36.9 | Very low | 33.8 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 72% | 0.721 | 69% | 0.687 | S | S | * | * | | | cis | -138.8 | 173.4 | -20.6 | 35 | -15.1 | 0 | 0 | 0 | 117.4 | | |
| 349 | A | 29.1 | Very low | 33.7 | Very low | 89 Ų | 89 | 130.9 Ų | 130.9 | 74% | 0.736 | 69% | 0.694 | S | S | * | * | | | trans | -50.8 | 176.7 | 154.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 350 | S | 28.3 | Very low | 33.7 | Very low | 86 Ų | 86 | 128.5 Ų | 128.5 | 60% | 0.601 | 69% | 0.69 | S | S | * | * | | | cis | -172.6 | -173.5 | -17.3 | 53.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 351 | L | 36.3 | Very low | 33.6 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 51% | 0.513 | 71% | 0.706 | S | S | . | * | | | trans | -75.4 | 179.6 | 168.4 | -49.5 | 89.6 | 0 | 0 | 0 | 110.9 | A533 E534 | L351-A533 CarbonylContact C-O 3.04Å; L351-A533 CarbonylContact O-C 2.95Å; L351-A533 PolarHBondContact O-N 3.24Å; L351-A533 VanDerWaalsContact O-N 3.17Å; L351-E534 WeakPolarHBondContact CB-O 3.38Å; L351-E534 PolarHBondContact O-N 3.15Å |
| 352 | S | 32.4 | Very low | 33.7 | Very low | 69 Ų | 69 | 130.5 Ų | 130.5 | 48% | 0.483 | 71% | 0.712 | S | S | . | * | | | cis | 95.7 | 65.6 | -2.3 | -159 | 0 | 0 | 0 | 0 | 124.2 | A533 S535 Q536 | S352-A533 PolarHBondContact N-O 3.41Å; S352-S535 CarbonylContact O-C 3.56Å; S352-S535 WeakPolarHBondContact O-CA 3.42Å; S352-S535 PolarHBondContact O-N 2.94Å; S352-Q536 PolarHBondContact O-N 3.19Å |
| 353 | P | 40 | Very low | 33.5 | Very low | 56 Ų | 56 | 133.7 Ų | 133.7 | 36% | 0.364 | 72% | 0.723 | S | S | . | * | | | trans | -47.1 | 171.1 | 165 | 2.1 | -0.8 | 0 | 0 | 0 | 125 | A533 E534 S535 Q536 | P353-A533 WeakPolarHBondContact CD-O 3.29Å; P353-E534 VanDerWaalsContact C-OE1 3.32Å; P353-E534 VanDerWaalsContact C-OE2 3.28Å; P353-E534 WeakPolarHBondContact CA-OE1 3.22Å; P353-E534 WeakPolarHBondContact CA-OE2 3.33Å; P353-E534 HydrophobicContact CB-CB 3.84Å; P353-E534 HydrophobicContact CB-CG 2.28Å; P353-E534 WeakPolarHBondContact CB-OE1 3.43Å; P353-E534 VanDerWaalsContact CD-OE1 3.27Å; P353-E534 WeakPolarHBondContact CD-OE1 3.29Å; P353-E534 WeakPolarHBondContact CD-OE2 3.3Å; P353-E534 HydrophobicContact CG-CB 3.33Å; P353-E534 HydrophobicContact CG-CG 2.3Å; P353-E534 WeakPolarHBondContact CG-OE1 3.29Å; P353-E534 WeakPolarHBondContact CG-OE2 3.4Å; P353-S535 CarbonylContact C-O 2.91Å; P353-S535 VanDerWaalsContact CA-O 3.27Å; P353-S535 WeakPolarHBondContact CA-O 3.33Å; P353-S535 VanDerWaalsContact N-N 3.18Å; P353-Q536 VanDerWaalsContact O-CD 3.27Å; P353-Q536 WeakPolarHBondContact O-CG 3.31Å; P353-Q536 PolarHBondContact O-NE2 2.87Å |
| 354 | S | 32 | Very low | 33.2 | Very low | 46 Ų | 46 | 137 Ų | 137 | 32% | 0.322 | 73% | 0.728 | S | S | . | * | | | trans | -147.1 | -174.9 | 179 | 47.8 | 0 | 0 | 0 | 0 | 110.9 | S535 | S354-S535 WeakPolarHBondContact CB-O 3.47Å; S354-S535 PolarHBondContact N-O 2.94Å; S354-S535 VanDerWaalsContact N-O 3.16Å; S354-S535 PolarHBondContact OG-O 3.46Å |
| 355 | Q | 32.6 | Very low | 32.9 | Very low | 187 Ų | 187 | 138.8 Ų | 138.8 | 87% | 0.874 | 73% | 0.729 | S | S | * | * | | | trans | 72.8 | 104.4 | -174.8 | -66 | -162 | 11.9 | 0 | 0 | 117.2 | | |
| 356 | Q | 28.1 | Very low | 32.5 | Very low | 202 Ų | 202 | 137.8 Ų | 137.8 | 94% | 0.944 | 73% | 0.728 | S | S | * | * | | | | -134.5 | 146.6 | 124.5 | -69.4 | -163.9 | -27.7 | 0 | 0 | 109.7 | | |
| 357 | Y | 29.6 | Very low | 32.3 | Very low | 218 Ų | 218 | 135 Ų | 135 | 86% | 0.855 | 72% | 0.715 | S | S | * | * | | | trans | -108.8 | 154.7 | 165.6 | -122.1 | -80.6 | 0 | 0 | 0 | 106.7 | | |
| 358 | P | 37.9 | Very low | 32.4 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 72% | 0.721 | 71% | 0.714 | S | S | * | * | | | | -156.2 | 154.3 | 104.1 | 39 | -20.8 | 0 | 0 | 0 | 118.1 | | |
| 359 | L | 30.9 | Very low | 32 | Very low | 164 Ų | 164 | 135.7 Ų | 135.7 | 86% | 0.859 | 71% | 0.708 | S | S | * | * | | | trans | 65.8 | 171.6 | 144.4 | -99.3 | 67.1 | 0 | 0 | 0 | 122.4 | | |
| 360 | S | 29.5 | Very low | 32.4 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | | | trans | -136.4 | 160.9 | -160.9 | 56.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 361 | S | 30.4 | Very low | 32.3 | Very low | 121 Ų | 121 | 143 Ų | 143 | 85% | 0.846 | 72% | 0.715 | S | S | * | * | | | trans | -161.8 | 159.3 | 146.3 | 51.1 | 0 | 0 | 0 | 0 | 113 | | |
| 362 | H | 35.9 | Very low | 32 | Very low | 189 Ų | 189 | 145.7 Ų | 145.7 | 88% | 0.875 | 73% | 0.727 | S | S | * | * | | | trans | -99.8 | 160.4 | 178.3 | -73.9 | -99.2 | 0 | 0 | 0 | 112.4 | | |
| 363 | K | 32.6 | Very low | 31.9 | Very low | 216 Ų | 216 | 148.1 Ų | 148.1 | 94% | 0.939 | 74% | 0.739 | S | S | * | * | | | trans | -140.9 | 168.3 | 148.1 | -120.3 | 178 | -178.5 | -178.7 | 0 | 111.2 | | |
| 364 | K | 34.2 | Very low | 31.4 | Very low | 180 Ų | 180 | 152.5 Ų | 152.5 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | | | trans | -132.7 | 151 | -159.5 | -94.1 | -167.5 | 175.4 | -169.7 | 0 | 113.3 | | |
| 365 | Q | 27.8 | Very low | 31.4 | Very low | 149 Ų | 149 | 157.6 Ų | 157.6 | 70% | 0.696 | 78% | 0.781 | S | S | * | * | | | trans | 67.5 | 154.7 | 145.4 | -144.8 | 153.5 | -17.6 | 0 | 0 | 115.2 | | |
| 366 | T | 31.4 | Very low | 31.2 | Very low | 113 Ų | 113 | 156.5 Ų | 156.5 | 69% | 0.693 | 78% | 0.776 | S | S | * | * | | | cis | -167.5 | 129.1 | 49.2 | -61.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 367 | D | 31.7 | Very low | 31.2 | Very low | 116 Ų | 116 | 150.7 Ų | 150.7 | 62% | 0.62 | 76% | 0.762 | S | S | * | * | | | trans | 36.5 | 168.3 | 141.3 | -54.4 | -58.9 | 0 | 0 | 0 | 126.5 | | |
| 368 | Y | 32.4 | Very low | 31.3 | Very low | 204 Ų | 204 | 150 Ų | 150 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | | | trans | 84.9 | 146.7 | 168.3 | -73.9 | -103.1 | 0 | 0 | 0 | 120.7 | | |
| 369 | E | 28.6 | Very low | 30.8 | Very low | 128 Ų | 128 | 150.3 Ų | 150.3 | 60% | 0.598 | 77% | 0.768 | S | S | * | * | | | cis | -161.1 | 163.4 | -32.8 | -174.3 | 159.7 | -134.9 | 0 | 0 | 112.4 | | |
| 370 | K | 38.3 | Very low | 30.9 | Very low | 169 Ų | 169 | 151.9 Ų | 151.9 | 74% | 0.735 | 77% | 0.771 | S | S | * | * | | | trans | -39.7 | 158.4 | 178.6 | -45.8 | 139.4 | -173.6 | 159.5 | 0 | 119 | | |
| 371 | E | 26.6 | Very low | 30.9 | Very low | 161 Ų | 161 | 152.7 Ų | 152.7 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | | | | -155.1 | 137.2 | 119 | -126.8 | -165.9 | 99.2 | 0 | 0 | 114.5 | | |
| 372 | M | 29.9 | Very low | 31.4 | Very low | 153 Ų | 153 | 156.1 Ų | 156.1 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | | | trans | 38 | 146.9 | 142 | -95.9 | 157.6 | 49.3 | 0 | 0 | 123.9 | | |
| 373 | T | 29.1 | Very low | 31.2 | Very low | 120 Ų | 120 | 154.6 Ų | 154.6 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | | | cis | -147.3 | 154.6 | 11.1 | -60.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 374 | L | 29.3 | Very low | 31.2 | Very low | 149 Ų | 149 | 150.9 Ų | 150.9 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | | | trans | -55.5 | 150.7 | 171.2 | -178.2 | 79.4 | 0 | 0 | 0 | 117.6 | | |
| 375 | L | 31.7 | Very low | 31.4 | Very low | 153 Ų | 153 | 150.1 Ų | 150.1 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | | | trans | -167.3 | 126.3 | 135.8 | -104.9 | 179.6 | 0 | 0 | 0 | 114.2 | | |
| 376 | H | 29.3 | Very low | 31.7 | Very low | 164 Ų | 164 | 149.6 Ų | 149.6 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | | | trans | 27.2 | 150.7 | 149.9 | -78.3 | -132.3 | 0 | 0 | 0 | 123.7 | | |
| 377 | A | 28.7 | Very low | 32.1 | Very low | 80 Ų | 80 | 151.3 Ų | 151.3 | 66% | 0.661 | 77% | 0.767 | S | S | * | * | | | cis | -172.5 | 140.6 | -17.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 378 | K | 30.1 | Very low | 32.3 | Very low | 203 Ų | 203 | 155.5 Ų | 155.5 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | | | trans | 56.9 | 108.5 | 134.4 | -166.6 | 175.4 | -173.2 | 173.9 | 0 | 121.6 | | |
| 379 | S | 27.4 | Very low | 32.7 | Very low | 117 Ų | 117 | 153 Ų | 153 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | | -168.1 | 151 | 114.5 | 47.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 380 | H | 33.4 | Very low | 33.1 | Very low | 198 Ų | 198 | 153.7 Ų | 153.7 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | | | trans | -125.2 | 146.1 | 171.9 | -67 | -93 | 0 | 0 | 0 | 109.4 | | |
| 381 | S | 31 | Very low | 33.3 | Very low | 123 Ų | 123 | 150.6 Ų | 150.6 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | trans | -161.5 | 147.2 | 139 | 53.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 382 | K | 40.1 | Very low | 34.4 | Very low | 193 Ų | 193 | 152.3 Ų | 152.3 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | -86.7 | 159.8 | 162.8 | -50.2 | 174.4 | -177.8 | -179.5 | 0 | 108.5 | | |
| 383 | D | 31.5 | Very low | 35.5 | Very low | 157 Ų | 157 | 153.6 Ų | 153.6 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | | | | -158 | 170.2 | 118.8 | -136.9 | -28 | 0 | 0 | 0 | 111.3 | | |
| 384 | D | 33.5 | Very low | 36.2 | Very low | 138 Ų | 138 | 152.5 Ų | 152.5 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | | | trans | -96.3 | -176.3 | -170.9 | -82.1 | -61.2 | 0 | 0 | 0 | 114.5 | | |
| 385 | Q | 36.8 | Very low | 37.4 | Very low | 165 Ų | 165 | 151.6 Ų | 151.6 | 77% | 0.771 | 80% | 0.795 | S | S | * | * | | | trans | 88.1 | 81.6 | 140.1 | -138.7 | 71 | -21.4 | 0 | 0 | 121.8 | | |
| 386 | N | 34.9 | Very low | 38.6 | Very low | 138 Ų | 138 | 152.8 Ų | 152.8 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | | | | 77.8 | 163.1 | 123.1 | -151.2 | 10.1 | 0 | 0 | 0 | 120.9 | | |
| 387 | E | 39 | Very low | 39.5 | Very low | 149 Ų | 149 | 149.9 Ų | 149.9 | 70% | 0.696 | 81% | 0.805 | S | S | * | * | | | trans | -62.7 | 159.3 | -178.2 | -51.6 | 175.4 | 146.4 | 0 | 0 | 115 | | |
| 388 | R | 37.2 | Very low | 40.2 | Very low | 204 Ų | 204 | 149.5 Ų | 149.5 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | | | | 177.4 | 162.3 | 105.4 | -175.6 | 148.1 | -67.6 | -157.1 | -0.9 | 113.8 | | |
| 389 | E | 41.1 | Very low | 41.1 | Very low | 152 Ų | 152 | 146.3 Ų | 146.3 | 71% | 0.71 | 81% | 0.812 | S | S | * | * | | | trans | 74.2 | 83.1 | 158.7 | -91.1 | 174.4 | 99.8 | 0 | 0 | 121.4 | | |
| 390 | N | 37.1 | Very low | 42.1 | Very low | 141 Ų | 141 | 145.6 Ų | 145.6 | 75% | 0.754 | 81% | 0.814 | S | S | * | * | | | trans | 24.4 | 120.6 | 131.7 | 46 | -118.4 | 0 | 0 | 0 | 121.5 | | |
| 391 | A | 42.2 | Very low | 43 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | | | trans | -126 | 137.5 | 150.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 392 | K | 49.5 | Very low | 43.9 | Very low | 197 Ų | 197 | 141 Ų | 141 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | | | trans | -77.7 | 145.4 | -174.9 | -53.7 | 144.2 | -174.9 | 171.7 | 0 | 110.7 | | |
| 393 | M | 53.2 | Low | 44 | Very low | 180 Ų | 180 | 135.1 Ų | 135.1 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | | | trans | -170.4 | 155.3 | 131.9 | -88 | -33 | -85.5 | 0 | 0 | 111.6 | | |
| 394 | S | 43.8 | Very low | 44.5 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 156.1 | -167.1 | -48.7 | 0 | 0 | 0 | 0 | 115 | | |
| 395 | P | 52.9 | Low | 45.8 | Very low | 130 Ų | 130 | 133 Ų | 133 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 131.7 | 164.7 | 31.4 | -33.4 | 0 | 0 | 0 | 110.9 | | |
| 396 | L | 57 | Low | 46.5 | Very low | 178 Ų | 178 | 128.6 Ų | 128.6 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 125.7 | 170.4 | -93.6 | 166.4 | 0 | 0 | 0 | 110.3 | | |
| 397 | A | 50.1 | Low | 47.7 | Very low | 102 Ų | 102 | 133.2 Ų | 133.2 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 151.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 398 | G | 41.7 | Very low | 48.7 | Very low | 73 Ų | 73 | 132.2 Ų | 132.2 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | | | trans | 139.5 | 103.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 399 | S | 50.8 | Low | 48.9 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 94% | 0.944 | 81% | 0.812 | S | S | * | * | | | trans | -162.6 | 107.4 | 147.6 | -85.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 400 | A | 47 | Very low | 49.3 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | | | trans | -134.6 | 116 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 401 | A | 53.1 | Low | 49.8 | Very low | 89 Ų | 89 | 125.6 Ų | 125.6 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | | | trans | -150.7 | 114.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 402 | T | 48.8 | Very low | 49.8 | Very low | 136 Ų | 136 | 128 Ų | 128 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | | | | 53.3 | 99.5 | 59.2 | 77.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 403 | G | 42.6 | Very low | 49.5 | Very low | 69 Ų | 69 | 127.4 Ų | 127.4 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | | | trans | 164.8 | 51 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116 | P405 | G403-P405 VanDerWaalsContact O-CD 3.29Å; G403-P405 WeakPolarHBondContact O-CD 3.29Å |
| 404 | S | 42.9 | Very low | 49.3 | Very low | 118 Ų | 118 | 125 Ų | 125 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 120.9 | 171 | -50.3 | 0 | 0 | 0 | 0 | 110.5 | G406 | S404-G406 PolarHBondContact O-N 2.94Š|
| 405 | P | 60.1 | Low | 49.3 | Very low | 132 Ų | 132 | 128 Ų | 128 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 118.2 | 176.6 | -22.7 | 35.5 | 0 | 0 | 0 | 110.9 | G403 | G403-P405 VanDerWaalsContact O-CD 3.29Å; G403-P405 WeakPolarHBondContact O-CD 3.29Å |
| 406 | G | 51.9 | Low | 48.7 | Very low | 72 Ų | 72 | 127.7 Ų | 127.7 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 146.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S404 | S404-G406 PolarHBondContact O-N 2.94Š|
| 407 | R | 59.9 | Low | 47.7 | Very low | 236 Ų | 236 | 123.7 Ų | 123.7 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 137.7 | 172.7 | -66.4 | 172.8 | 176 | -107.2 | -0.8 | 110.1 | S409 | R407-S409 PolarHBondContact O-N 2.91Š|
| 408 | P | 59.6 | Low | 47.4 | Very low | 127 Ų | 127 | 128.1 Ų | 128.1 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 133.7 | 172 | 27.1 | -33.7 | 0 | 0 | 0 | 110.2 | | |
| 409 | S | 40.8 | Very low | 47 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -83 | 144.4 | 168.5 | -67.8 | 0 | 0 | 0 | 0 | 109.8 | R407 T411 | R407-S409 PolarHBondContact O-N 2.91Å; S409-T411 PolarHBondContact O-N 3.46Å |
| 410 | P | 49.8 | Very low | 46.2 | Very low | 123 Ų | 123 | 128.8 Ų | 128.8 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | | | trans | -73.2 | 99.8 | -177 | 29.2 | -34.4 | 0 | 0 | 0 | 111.3 | | |
| 411 | T | 49.2 | Very low | 45.7 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | trans | -71.9 | 133.4 | 168.4 | 38.4 | 0 | 0 | 0 | 0 | 110.2 | S409 | S409-T411 PolarHBondContact O-N 3.46Š|
| 412 | N | 41.7 | Very low | 44.7 | Very low | 155 Ų | 155 | 132 Ų | 132 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | | | trans | -77.7 | 130.7 | 175.3 | -78.3 | -103.7 | 0 | 0 | 0 | 108.9 | | |
| 413 | F | 41.8 | Very low | 44 | Very low | 185 Ų | 185 | 133 Ų | 133 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | | | trans | -95.3 | 108.7 | -176.6 | -172.9 | -89.8 | 0 | 0 | 0 | 111.3 | Q415 | F413-Q415 HydrophobicContact CE1-CB 4.11Š|
| 414 | T | 49.3 | Very low | 43.5 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | -131.2 | 68.9 | 168.8 | 52.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 415 | Q | 45.1 | Very low | 42.9 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | | | trans | 27.5 | 97.2 | 136.2 | -169.5 | 179.9 | 20.9 | 0 | 0 | 118.6 | F413 | F413-Q415 HydrophobicContact CE1-CB 4.11Š|
| 416 | T | 39.9 | Very low | 41.7 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 77% | 0.767 | 79% | 0.787 | S | S | * | * | | | trans | -146.6 | 95.4 | 146.7 | 51.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 417 | S | 36.5 | Very low | 40.7 | Very low | 93 Ų | 93 | 143 Ų | 143 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | | | | 61.8 | 84.3 | 82.6 | 73 | 0 | 0 | 0 | 0 | 115 | | |
| 418 | H | 42.6 | Very low | 39.3 | Very low | 196 Ų | 196 | 137 Ų | 137 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | | | trans | -153.8 | 167.6 | 150.4 | -89.7 | -62.2 | 0 | 0 | 0 | 109.5 | | |
| 419 | T | 34.3 | Very low | 38.1 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | | | trans | -129.3 | 176.6 | -155.6 | 48.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 420 | C | 33.7 | Very low | 37.6 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 66% | 0.655 | 78% | 0.782 | S | S | * | * | | | trans | 75.8 | 123.2 | 175.8 | -65.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 421 | E | 35.2 | Very low | 36.7 | Very low | 187 Ų | 187 | 140.2 Ų | 140.2 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | | 67.3 | 130.4 | 82.7 | -64.6 | 172.3 | 124.7 | 0 | 0 | 113.1 | | |
| 422 | G | 32.7 | Very low | 35.8 | Very low | 71 Ų | 71 | 138 Ų | 138 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | | | cis | 174.5 | 174.4 | -5.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 423 | L | 35.3 | Very low | 35.1 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | | | trans | 51 | 118.8 | 152.8 | -59.9 | 169.6 | 0 | 0 | 0 | 121.3 | | |
| 424 | F | 32.2 | Very low | 34.6 | Very low | 186 Ų | 186 | 132.8 Ų | 132.8 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | | | trans | 68.9 | 114.8 | 136.6 | -76.5 | -59.2 | 0 | 0 | 0 | 123.9 | | |
| 425 | D | 29.3 | Very low | 33.7 | Very low | 141 Ų | 141 | 135 Ų | 135 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | | | | 94.1 | 161 | 118.2 | -148.6 | 18.2 | 0 | 0 | 0 | 120.8 | | |
| 426 | L | 35.7 | Very low | 32.9 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | trans | -88.9 | 139.8 | -167.2 | -56.8 | 157.5 | 0 | 0 | 0 | 111.4 | | |
| 427 | S | 30.5 | Very low | 32.4 | Very low | 118 Ų | 118 | 133 Ų | 133 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | trans | -163.2 | 163.4 | 130.7 | -153 | 0 | 0 | 0 | 0 | 114.7 | | |
| 428 | N | 30.8 | Very low | 32 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 60% | 0.599 | 78% | 0.78 | S | S | * | * | | | trans | -61.8 | 147.3 | -178.9 | -74 | -95.5 | 0 | 0 | 0 | 115.1 | | |
| 429 | K | 34.9 | Very low | 31.5 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | | | | 41.2 | 116.7 | 128.7 | -49.6 | 162 | -174.1 | 143.4 | 0 | 117.9 | | |
| 430 | S | 29.4 | Very low | 31.5 | Very low | 125 Ų | 125 | 137 Ų | 137 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | | | | 178.7 | 162.3 | 109.8 | -80.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 431 | S | 30.1 | Very low | 32.2 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | | | trans | -88 | 132.9 | -166.7 | -50.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 432 | A | 31.3 | Very low | 32 | Very low | 88 Ų | 88 | 136.3 Ų | 136.3 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | | 73.6 | 147.5 | 124.5 | 0 | 0 | 0 | 0 | 0 | 124.1 | | |
| 433 | T | 27.2 | Very low | 32 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | trans | 98.1 | 133.6 | 144.6 | -21.4 | 0 | 0 | 0 | 0 | 120 | | |
| 434 | S | 29.8 | Very low | 31.8 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | | | trans | 67.4 | 151 | 150.2 | 40.9 | 0 | 0 | 0 | 0 | 120.6 | | |
| 435 | L | 31.2 | Very low | 32.1 | Very low | 175 Ų | 175 | 136.9 Ų | 136.9 | 92% | 0.916 | 75% | 0.751 | S | S | * | * | | | cis | -171.6 | 144.3 | -17.5 | 170.8 | 65.9 | 0 | 0 | 0 | 110.8 | | |
| 436 | G | 28.2 | Very low | 32.2 | Very low | 64 Ų | 64 | 136.2 Ų | 136.2 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | | | trans | 101 | 155 | 162 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 437 | K | 28.7 | Very low | 32 | Very low | 179 Ų | 179 | 132.5 Ų | 132.5 | 78% | 0.778 | 74% | 0.744 | S | S | * | * | | | cis | -155.9 | 144.4 | 4 | -105.9 | -162.7 | 175.4 | -170.1 | 0 | 111.5 | | |
| 438 | Y | 29.6 | Very low | 32.3 | Very low | 193 Ų | 193 | 136.5 Ų | 136.5 | 76% | 0.757 | 75% | 0.747 | S | S | * | * | | | trans | 63.2 | 155.4 | 152.4 | -74.8 | -125.8 | 0 | 0 | 0 | 116.5 | | |
| 439 | D | 32.1 | Very low | 32.4 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | | | cis | -140.8 | -179.8 | 5.4 | -142.2 | -32.3 | 0 | 0 | 0 | 112.1 | | |
| 440 | Q | 34.1 | Very low | 33.4 | Very low | 164 Ų | 164 | 139.6 Ų | 139.6 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | | | trans | -120.7 | -167.6 | 175.2 | -123.1 | -154 | -6.1 | 0 | 0 | 110.7 | | |
| 441 | P | 47.5 | Very low | 33.3 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | | | cis | -132.1 | 172.2 | 11.6 | 37.4 | -16.3 | 0 | 0 | 0 | 116.9 | | |
| 442 | E | 30.8 | Very low | 33.2 | Very low | 167 Ų | 167 | 144.3 Ų | 144.3 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | | | | 174 | 146.7 | 112.7 | -91.2 | -170.3 | 146.7 | 0 | 0 | 113.1 | | |
| 443 | E | 33.8 | Very low | 33.1 | Very low | 156 Ų | 156 | 148.6 Ų | 148.6 | 73% | 0.729 | 76% | 0.757 | S | S | * | * | | | trans | 40.9 | 111.6 | 159.4 | -55.5 | -130.6 | 91.6 | 0 | 0 | 120.8 | | |
| 444 | N | 31.2 | Very low | 33.2 | Very low | 109 Ų | 109 | 147.3 Ų | 147.3 | 58% | 0.583 | 75% | 0.753 | S | S | * | * | | | | 75.4 | 135 | 76 | -69.2 | -28.8 | 0 | 0 | 0 | 114.2 | | |
| 445 | F | 37 | Very low | 33.1 | Very low | 162 Ų | 162 | 147.7 Ų | 147.7 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | | | cis | -158.2 | 132.3 | 0.8 | -106.4 | -50.5 | 0 | 0 | 0 | 111.9 | | |
| 446 | T | 32.7 | Very low | 32.9 | Very low | 127 Ų | 127 | 146.5 Ų | 146.5 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | | | trans | 59.3 | 166.6 | 151.5 | 58.1 | 0 | 0 | 0 | 0 | 119.5 | | |
| 447 | A | 31.3 | Very low | 32.9 | Very low | 77 Ų | 77 | 152 Ų | 152 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | | | cis | -149.3 | 138.4 | 11.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 448 | F | 35.8 | Very low | 33.9 | Very low | 203 Ų | 203 | 148.7 Ų | 148.7 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | | | trans | 52 | 150 | 151.8 | -57.7 | -63.6 | 0 | 0 | 0 | 125 | | |
| 449 | R | 33.9 | Very low | 34.5 | Very low | 238 Ų | 238 | 144.2 Ų | 144.2 | 90% | 0.898 | 75% | 0.745 | S | S | * | * | | | trans | -113.2 | -129.8 | 170.3 | -72.2 | -174.3 | 179.2 | -159.8 | 4.3 | 110.8 | | |
| 450 | P | 55.6 | Low | 34.3 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 74% | 0.74 | 75% | 0.748 | S | S | * | * | | | | -129.2 | 173.9 | -118.6 | 41.6 | -23 | 0 | 0 | 0 | 115.6 | | |
| 451 | V | 26.7 | Very low | 34.1 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | | | trans | -160.1 | 127 | 156.9 | 135.7 | 0 | 0 | 0 | 0 | 105.7 | | |
| 452 | R | 29.7 | Very low | 33.2 | Very low | 213 Ų | 213 | 147.2 Ų | 147.2 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | | 83 | 115.8 | 53.8 | -80.8 | -171.2 | 174.5 | -172.6 | 1.5 | 114.8 | | |
| 453 | K | 29.1 | Very low | 33 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 78% | 0.778 | 75% | 0.745 | S | S | * | * | | | trans | 76 | 121 | 140.7 | -71.3 | -168.3 | 171.8 | -165.1 | 0 | 121 | | |
| 454 | S | 28.2 | Very low | 32.8 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 66% | 0.664 | 74% | 0.744 | S | S | * | * | | | | 81.7 | 115.5 | 120.1 | -65.9 | 0 | 0 | 0 | 0 | 121.7 | | |
| 455 | T | 28.7 | Very low | 32.8 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | | | | 88 | 130.1 | 117 | -60.1 | 0 | 0 | 0 | 0 | 119.6 | | |
| 456 | D | 27.3 | Very low | 32.3 | Very low | 151 Ų | 151 | 142 Ų | 142 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | | | trans | 68.5 | 144.7 | 161.7 | -60.3 | -18.2 | 0 | 0 | 0 | 122.7 | | |
| 457 | Q | 26.9 | Very low | 32.3 | Very low | 178 Ų | 178 | 143.2 Ų | 143.2 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | | | trans | -97.3 | -157.2 | 167.6 | -42.1 | 174.5 | -8.8 | 0 | 0 | 107.7 | | |
| 458 | P | 50.1 | Low | 32.3 | Very low | 110 Ų | 110 | 147 Ų | 147 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | | | cis | -117.6 | -134.2 | -25.4 | 25.5 | 0.6 | 0 | 0 | 0 | 106.8 | | |
| 459 | P | 42.2 | Very low | 32 | Very low | 99 Ų | 99 | 144.7 Ų | 144.7 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | | | cis | -142.3 | -177.8 | -10 | 45 | -26.3 | 0 | 0 | 0 | 117.6 | | |
| 460 | L | 27.3 | Very low | 31.8 | Very low | 153 Ų | 153 | 136.7 Ų | 136.7 | 80% | 0.801 | 74% | 0.744 | S | S | * | * | | | trans | 65.1 | 147.7 | 170.8 | -82.5 | 60.9 | 0 | 0 | 0 | 116 | | |
| 461 | L | 29.8 | Very low | 30.6 | Very low | 145 Ų | 145 | 134.7 Ų | 134.7 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | | | cis | -167.1 | 167 | -22.1 | -110.5 | 177.6 | 0 | 0 | 0 | 104.7 | | |
| 462 | Q | 29.5 | Very low | 30.8 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | | | cis | -123.5 | -162.8 | 8 | -58.3 | 178.9 | -16.2 | 0 | 0 | 109 | | |
| 463 | S | 26.5 | Very low | 30.9 | Very low | 83 Ų | 83 | 131.7 Ų | 131.7 | 58% | 0.58 | 75% | 0.748 | S | S | * | * | | | cis | -152.4 | 146.7 | 2.8 | -171.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 464 | T | 28.9 | Very low | 31.7 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 72% | 0.718 | 74% | 0.744 | S | S | * | * | | | trans | 41.8 | 132.2 | 149.6 | 51.1 | 0 | 0 | 0 | 0 | 121.4 | | |
| 465 | Q | 30.9 | Very low | 31.8 | Very low | 176 Ų | 176 | 129.6 Ų | 129.6 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | | | cis | -161.3 | 165.5 | -11 | -165.2 | 153.2 | -22.1 | 0 | 0 | 110.3 | | |
| 466 | T | 28.4 | Very low | 31.8 | Very low | 109 Ų | 109 | 128.8 Ų | 128.8 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | | | trans | -56 | 154.9 | -172.4 | 48.6 | 0 | 0 | 0 | 0 | 116 | | |
| 467 | Q | 31.6 | Very low | 32.3 | Very low | 152 Ų | 152 | 128.5 Ų | 128.5 | 71% | 0.71 | 74% | 0.744 | S | S | * | * | | | cis | 66.7 | 146.7 | 45.5 | -132.5 | -164.9 | 38 | 0 | 0 | 111.3 | | |
| 468 | Q | 30.6 | Very low | 32.5 | Very low | 157 Ų | 157 | 126.7 Ų | 126.7 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | | | cis | -138.7 | 166.9 | 22 | -78 | 166.5 | -9.2 | 0 | 0 | 110.1 | | |
| 469 | D | 30.3 | Very low | 31.7 | Very low | 154 Ų | 154 | 127.8 Ų | 127.8 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | | | cis | 89.3 | 137.2 | 26.9 | -165.2 | 32.5 | 0 | 0 | 0 | 116.2 | | |
| 470 | G | 29 | Very low | 31.4 | Very low | 71 Ų | 71 | 128.6 Ų | 128.6 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | | | trans | 91.4 | 132.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 471 | G | 31.2 | Very low | 31.7 | Very low | 71 Ų | 71 | 128.5 Ų | 128.5 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | | | trans | 115 | 105.9 | 142.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 472 | D | 29.8 | Very low | 32 | Very low | 168 Ų | 168 | 130 Ų | 130 | 90% | 0.898 | 75% | 0.751 | S | S | * | * | | | trans | 46.4 | 140.7 | 135.8 | -55 | -35.1 | 0 | 0 | 0 | 125.2 | | |
| 473 | S | 32.2 | Very low | 32.4 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | | | trans | -62.6 | 163.9 | 158.8 | -63.9 | 0 | 0 | 0 | 0 | 112 | | |
| 474 | P | 47.2 | Very low | 32.9 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | | | cis | -154.4 | 179.8 | 36 | 40.5 | -16.7 | 0 | 0 | 0 | 120.1 | | |
| 475 | T | 29.3 | Very low | 33.1 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | | | trans | 58.4 | 116.4 | 146.3 | 45.9 | 0 | 0 | 0 | 0 | 123.9 | | |
| 476 | S | 29.2 | Very low | 33.1 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | | | | 92.5 | 146 | 115.4 | 80.8 | 0 | 0 | 0 | 0 | 123.5 | | |
| 477 | I | 37.8 | Very low | 33.9 | Very low | 146 Ų | 146 | 130.3 Ų | 130.3 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | | | trans | 58.4 | 155.2 | 162.4 | 71.5 | 166.9 | 0 | 0 | 0 | 119 | | |
| 478 | N | 31.7 | Very low | 33.7 | Very low | 140 Ų | 140 | 129.3 Ų | 129.3 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | | | cis | -168.6 | -177.3 | -28.9 | -96.7 | -15.9 | 0 | 0 | 0 | 106.8 | | |
| 479 | V | 32.4 | Very low | 33.6 | Very low | 132 Ų | 132 | 129.8 Ų | 129.8 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | | | trans | 72.9 | 141.5 | 161.7 | 163.8 | 0 | 0 | 0 | 0 | 115.6 | | |
| 480 | T | 35.2 | Very low | 33.4 | Very low | 117 Ų | 117 | 127.2 Ų | 127.2 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | | | cis | -169.3 | 167.8 | -17.5 | 35.6 | 0 | 0 | 0 | 0 | 106.9 | | |
| 481 | D | 34.2 | Very low | 33.4 | Very low | 151 Ų | 151 | 131 Ų | 131 | 81% | 0.807 | 75% | 0.745 | S | S | * | * | | | cis | -175 | -148.1 | -34 | -147.1 | -79.8 | 0 | 0 | 0 | 107.3 | | |
| 482 | E | 36.8 | Very low | 33.3 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | | | trans | 79.2 | 147.4 | 165.1 | -63.3 | -141.1 | 157.3 | 0 | 0 | 120.2 | | |
| 483 | D | 36.6 | Very low | 33.5 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | | | cis | -167.9 | 177.3 | -26.8 | -171.9 | 35.8 | 0 | 0 | 0 | 111.4 | | |
| 484 | S | 36.8 | Very low | 33.6 | Very low | 84 Ų | 84 | 135.2 Ų | 135.2 | 59% | 0.587 | 74% | 0.736 | S | S | * | * | | | trans | 101.4 | 95.7 | 136 | -90.1 | 0 | 0 | 0 | 0 | 123.1 | | |
| 485 | Y | 34.4 | Very low | 32.7 | Very low | 214 Ų | 214 | 133.6 Ų | 133.6 | 84% | 0.839 | 74% | 0.738 | S | S | * | * | | | trans | 69.1 | 160.1 | 131.1 | -70.6 | -76.1 | 0 | 0 | 0 | 125.5 | | |
| 486 | V | 29.8 | Very low | 32.8 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 86% | 0.861 | 74% | 0.74 | S | S | * | * | | | trans | -130.5 | -110.2 | 179.3 | -161.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 487 | P | 46.3 | Very low | 33 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | | | cis | -134.6 | 169.9 | -17.2 | 45 | -27 | 0 | 0 | 0 | 117.5 | | |
| 488 | N | 27.9 | Very low | 32.7 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | | | trans | 44.2 | 149.3 | 145.6 | -92.9 | 27 | 0 | 0 | 0 | 127.7 | | |
| 489 | E | 28 | Very low | 32.6 | Very low | 166 Ų | 166 | 134.5 Ų | 134.5 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | | | trans | 72.3 | 148.4 | 141.3 | -77.6 | 171.8 | 99.1 | 0 | 0 | 121.7 | | |
| 490 | C | 24.7 | Very low | 32.7 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | | | cis | -166.5 | -178.7 | -23.7 | -141.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 491 | H | 30.5 | Very low | 32.7 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | | | trans | 76.6 | 113.2 | 160.2 | -77.4 | -62.9 | 0 | 0 | 0 | 123.4 | | |
| 492 | N | 27.8 | Very low | 33.1 | Very low | 126 Ų | 126 | 136.9 Ų | 136.9 | 67% | 0.674 | 75% | 0.751 | S | S | * | * | | | | 53.4 | 144.2 | 118.3 | -58.9 | 17.5 | 0 | 0 | 0 | 120.7 | | |
| 493 | N | 34.9 | Very low | 33 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 69% | 0.69 | 75% | 0.751 | S | S | * | * | | | cis | -170.3 | 175 | 1.5 | -116.2 | 28 | 0 | 0 | 0 | 107.7 | | |
| 494 | E | 35.1 | Very low | 33.1 | Very low | 183 Ų | 183 | 135.8 Ų | 135.8 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | | | cis | -135.3 | -170.2 | -0.6 | -62.5 | -164.5 | 145 | 0 | 0 | 109.6 | | |
| 495 | G | 28 | Very low | 33.3 | Very low | 73 Ų | 73 | 135.1 Ų | 135.1 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | | | trans | 152.8 | 64.2 | 159.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 496 | S | 31.2 | Very low | 33.4 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | 38.8 | 114.9 | 152.4 | -62.2 | 0 | 0 | 0 | 0 | 123.3 | | |
| 497 | L | 33.7 | Very low | 33.8 | Very low | 166 Ų | 166 | 130.6 Ų | 130.6 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | | | trans | 67.1 | 142.8 | 142.2 | -52.9 | 173.7 | 0 | 0 | 0 | 120.1 | | |
| 498 | S | 31 | Very low | 34.7 | Very low | 89 Ų | 89 | 130.9 Ų | 130.9 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | | | cis | -169 | 158.6 | -17.1 | 52.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 499 | N | 28.7 | Very low | 35.1 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | | | trans | 91.9 | 113.8 | 171 | -55.2 | -59.6 | 0 | 0 | 0 | 119.5 | | |
| 500 | T | 34.7 | Very low | 35.5 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | trans | -93.7 | -175.5 | 160.7 | 35 | 0 | 0 | 0 | 0 | 110.4 | | |
| 501 | E | 36.8 | Very low | 36 | Very low | 167 Ų | 167 | 132.4 Ų | 132.4 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | | | cis | -153.8 | 165.6 | 4 | 26.5 | -135.5 | 83 | 0 | 0 | 110.3 | | |
| 502 | D | 41.4 | Very low | 36.1 | Very low | 160 Ų | 160 | 130.5 Ų | 130.5 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | | | trans | -88.6 | 176.3 | 177.6 | -52.6 | -89.8 | 0 | 0 | 0 | 114 | | |
| 503 | D | 34.7 | Very low | 36.8 | Very low | 152 Ų | 152 | 133.5 Ų | 133.5 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | | | | 165.9 | -168.3 | 113.5 | -160.6 | 15 | 0 | 0 | 0 | 113.3 | | |
| 504 | T | 38.7 | Very low | 37 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | | | trans | -141.7 | 122 | -137.6 | -45.9 | 0 | 0 | 0 | 0 | 116.3 | | |
| 505 | G | 40.2 | Very low | 37.7 | Very low | 70 Ų | 70 | 133.6 Ų | 133.6 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | trans | 84.6 | 175.2 | 136.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 506 | I | 37.9 | Very low | 37.9 | Very low | 177 Ų | 177 | 136.2 Ų | 136.2 | 91% | 0.908 | 78% | 0.775 | S | S | * | * | | | trans | 74.6 | 160.7 | 167.5 | -45.3 | 174.6 | 0 | 0 | 0 | 116.1 | | |
| 507 | A | 38.8 | Very low | 38.1 | Very low | 85 Ų | 85 | 136.8 Ų | 136.8 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | | | trans | -151.6 | -165.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 508 | P | 63.7 | Low | 38 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | | | cis | -137 | -166.7 | -16.2 | 40.5 | -21.4 | 0 | 0 | 0 | 114.9 | | |
| 509 | L | 36.5 | Very low | 38 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | | | trans | 86.9 | 133.8 | 148.3 | -81.5 | 170.4 | 0 | 0 | 0 | 123.8 | | |
| 510 | N | 36.4 | Very low | 37.9 | Very low | 134 Ų | 134 | 133 Ų | 133 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | | | trans | 69.4 | 159.7 | 160 | -54.3 | -43.6 | 0 | 0 | 0 | 116.5 | | |
| 511 | L | 34.5 | Very low | 38.5 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | | | cis | -145.2 | 150.9 | 23.8 | -87.5 | 169.8 | 0 | 0 | 0 | 115.1 | | |
| 512 | S | 34.1 | Very low | 38.1 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | 72.4 | -172.3 | 132.8 | 84.7 | 0 | 0 | 0 | 0 | 123.1 | | |
| 513 | K | 42.3 | Very low | 37.5 | Very low | 190 Ų | 190 | 130 Ų | 130 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | | | trans | -155 | 151.5 | -157.7 | -64.1 | 179.1 | 177.7 | 176.4 | 0 | 113.1 | | |
| 514 | K | 38.9 | Very low | 37.2 | Very low | 193 Ų | 193 | 129.3 Ų | 129.3 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | | | trans | 68.1 | 168.5 | 163.2 | -70.1 | -168.3 | 173.3 | -155.7 | 0 | 115.8 | | |
| 515 | P | 48.9 | Very low | 36.9 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | | | cis | -128.3 | -160.1 | 6.5 | 43.9 | -26.8 | 0 | 0 | 0 | 115.7 | | |
| 516 | D | 32.9 | Very low | 36.5 | Very low | 128 Ų | 128 | 132 Ų | 132 | 68% | 0.684 | 76% | 0.761 | S | S | * | * | | | trans | -103.2 | -174.6 | -161.3 | -52.3 | -98.7 | 0 | 0 | 0 | 117 | | |
| 517 | T | 35.8 | Very low | 35.9 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | | | trans | 81.5 | 119.7 | 153.8 | 60.7 | 0 | 0 | 0 | 0 | 123.2 | | |
| 518 | N | 30.4 | Very low | 35.7 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | | | | 161.3 | 164.3 | 107.3 | -86.7 | -72.7 | 0 | 0 | 0 | 112.2 | | |
| 519 | T | 31.3 | Very low | 33.9 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | | | cis | -170.4 | 122.1 | -42.2 | -80.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 520 | G | 27.8 | Very low | 33.7 | Very low | 71 Ų | 71 | 137.8 Ų | 137.8 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | | | trans | 68.3 | -177.1 | 158.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 521 | P | 45.6 | Very low | 33.5 | Very low | 129 Ų | 129 | 136 Ų | 136 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | | | cis | -140.5 | 178.1 | -9.2 | 42.9 | -25.5 | 0 | 0 | 0 | 117.5 | | |
| 522 | A | 30.1 | Very low | 33.4 | Very low | 98 Ų | 98 | 137.3 Ų | 137.3 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | | | trans | 69.1 | 159.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 523 | H | 29 | Very low | 33.3 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 75% | 0.745 | 74% | 0.743 | S | S | * | * | | | cis | -151.6 | 157.2 | 1.3 | -146.8 | -60.5 | 0 | 0 | 0 | 110.6 | | |
| 524 | E | 27.7 | Very low | 32.7 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 64% | 0.64 | 73% | 0.727 | S | S | * | * | | | trans | 0.4 | 163.5 | 162.6 | -73.9 | -176.7 | 129.5 | 0 | 0 | 124.7 | | |
| 525 | H | 32.6 | Very low | 32.6 | Very low | 158 Ų | 158 | 124.1 Ų | 124.1 | 73% | 0.731 | 71% | 0.71 | S | S | * | * | | | cis | -146 | 165.6 | 17.6 | -98.9 | -41.7 | 0 | 0 | 0 | 112.4 | | |
| 526 | A | 30.5 | Very low | 31.8 | Very low | 88 Ų | 88 | 124.5 Ų | 124.5 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | | | trans | 19 | 138.4 | 153.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 527 | Y | 27.1 | Very low | 31.9 | Very low | 223 Ų | 223 | 124.6 Ų | 124.6 | 88% | 0.875 | 70% | 0.701 | S | S | * | * | | | cis | -146.2 | 168.3 | 47.6 | -136.2 | -94.6 | 0 | 0 | 0 | 114.8 | | |
| 528 | K | 33 | Very low | 31.5 | Very low | 182 Ų | 182 | 127.8 Ų | 127.8 | 79% | 0.791 | 71% | 0.705 | S | S | * | * | | | trans | -65.6 | 151.7 | 176 | -59.2 | 167.5 | -178.6 | 172.2 | 0 | 110.6 | | |
| 529 | S | 26.5 | Very low | 31.9 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 71% | 0.713 | 70% | 0.699 | S | S | * | * | | | cis | -153.6 | -169.6 | 13.4 | -136.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 530 | T | 32.1 | Very low | 32.2 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 77% | 0.773 | 69% | 0.694 | S | S | * | * | | | cis | -156.5 | 169.6 | 22 | -23.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 531 | S | 31.7 | Very low | 32.9 | Very low | 96 Ų | 96 | 132.7 Ų | 132.7 | 67% | 0.671 | 70% | 0.704 | S | S | * | * | | | trans | -74.6 | 165.5 | 168.2 | 48.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 532 | K | 32.6 | Very low | 32.4 | Very low | 184 Ų | 184 | 133.1 Ų | 133.1 | 80% | 0.8 | 70% | 0.695 | S | S | * | * | | | cis | -166.4 | 155.3 | -8.4 | -106.3 | 173.2 | 175.6 | -173.7 | 0 | 105.1 | | |
| 533 | A | 32.7 | Very low | 32.9 | Very low | 44 Ų | 44 | 135.8 Ų | 135.8 | 36% | 0.364 | 70% | 0.695 | S | S | . | * | | | cis | 128.7 | 154.8 | 6.6 | 0 | 0 | 0 | 0 | 0 | 106 | L351 S352 P353 | L351-A533 CarbonylContact C-O 3.04Å; L351-A533 CarbonylContact O-C 2.95Å; L351-A533 PolarHBondContact O-N 3.24Å; L351-A533 VanDerWaalsContact O-N 3.17Å; S352-A533 PolarHBondContact N-O 3.41Å; P353-A533 WeakPolarHBondContact CD-O 3.29Å |
| 534 | E | 29.9 | Very low | 34.1 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 50% | 0.495 | 68% | 0.683 | S | S | . | * | | | trans | 155.8 | -170.2 | 161 | 158.1 | -64.3 | -134.5 | 0 | 0 | 118.6 | L351 P353 | L351-E534 WeakPolarHBondContact CB-O 3.38Å; L351-E534 PolarHBondContact O-N 3.15Å; P353-E534 VanDerWaalsContact C-OE1 3.32Å; P353-E534 VanDerWaalsContact C-OE2 3.28Å; P353-E534 WeakPolarHBondContact CA-OE1 3.22Å; P353-E534 WeakPolarHBondContact CA-OE2 3.33Å; P353-E534 HydrophobicContact CB-CB 3.84Å; P353-E534 HydrophobicContact CB-CG 2.28Å; P353-E534 WeakPolarHBondContact CB-OE1 3.43Å; P353-E534 VanDerWaalsContact CD-OE1 3.27Å; P353-E534 WeakPolarHBondContact CD-OE1 3.29Å; P353-E534 WeakPolarHBondContact CD-OE2 3.3Å; P353-E534 HydrophobicContact CG-CB 3.33Å; P353-E534 HydrophobicContact CG-CG 2.3Å; P353-E534 WeakPolarHBondContact CG-OE1 3.29Å; P353-E534 WeakPolarHBondContact CG-OE2 3.4Å |
| 535 | S | 36.3 | Very low | 35.4 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 48% | 0.476 | 67% | 0.674 | S | S | . | * | | | trans | -168.6 | 134.3 | 161.5 | 58.5 | 0 | 0 | 0 | 0 | 115.7 | S352 P353 S354 | S352-S535 CarbonylContact O-C 3.56Å; S352-S535 WeakPolarHBondContact O-CA 3.42Å; S352-S535 PolarHBondContact O-N 2.94Å; P353-S535 CarbonylContact C-O 2.91Å; P353-S535 VanDerWaalsContact CA-O 3.27Å; P353-S535 WeakPolarHBondContact CA-O 3.33Å; P353-S535 VanDerWaalsContact N-N 3.18Å; S354-S535 WeakPolarHBondContact CB-O 3.47Å; S354-S535 PolarHBondContact N-O 2.94Å; S354-S535 VanDerWaalsContact N-O 3.16Å; S354-S535 PolarHBondContact OG-O 3.46Å |
| 536 | Q | 32.6 | Very low | 36 | Very low | 129 Ų | 129 | 128.3 Ų | 128.3 | 60% | 0.603 | 67% | 0.672 | S | S | * | * | | | trans | -130.7 | 149.9 | 167.2 | -70.1 | -133.3 | -10.7 | 0 | 0 | 112.7 | S352 P353 | S352-Q536 PolarHBondContact O-N 3.19Å; P353-Q536 VanDerWaalsContact O-CD 3.27Å; P353-Q536 WeakPolarHBondContact O-CG 3.31Å; P353-Q536 PolarHBondContact O-NE2 2.87Å |
| 537 | N | 34.3 | Very low | 36.5 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 70% | 0.695 | 66% | 0.663 | S | S | * | * | | | trans | -101.4 | 149.1 | 177.4 | -52.1 | -94.1 | 0 | 0 | 0 | 110 | | |
| 538 | F | 28.5 | Very low | 37.2 | Very low | 188 Ų | 188 | 123.5 Ų | 123.5 | 83% | 0.825 | 65% | 0.649 | S | S | * | * | | | | -163.4 | 179.4 | 119.3 | -128.1 | -120.4 | 0 | 0 | 0 | 114.2 | | |
| 539 | L | 37.4 | Very low | 37.7 | Very low | 119 Ų | 119 | 120.1 Ų | 120.1 | 62% | 0.623 | 65% | 0.648 | S | S | * | * | | | trans | -54.5 | 162.2 | -174.1 | -94 | 56.8 | 0 | 0 | 0 | 117.8 | | |
| 540 | E | 39.1 | Very low | 38.2 | Very low | 140 Ų | 140 | 121 Ų | 121 | 65% | 0.654 | 65% | 0.649 | S | S | * | * | | | trans | 64.2 | 111.1 | 132.7 | -170.2 | 162.8 | -149.2 | 0 | 0 | 120.4 | | |
| 541 | L | 41.6 | Very low | 38.5 | Very low | 178 Ų | 178 | 123.5 Ų | 123.5 | 93% | 0.932 | 65% | 0.649 | S | S | * | * | | | trans | -117.8 | 113.4 | 148.2 | -92.3 | 80.5 | 0 | 0 | 0 | 109 | | |
| 542 | Q | 35.8 | Very low | 38.7 | Very low | 139 Ų | 139 | 126.3 Ų | 126.3 | 65% | 0.65 | 66% | 0.656 | S | S | * | * | | | trans | -78 | 158.1 | 151.6 | -76.9 | -168.9 | 34 | 0 | 0 | 110 | | |
| 543 | D | 40.5 | Very low | 39 | Very low | 153 Ų | 153 | 121.9 Ų | 121.9 | 82% | 0.818 | 65% | 0.648 | S | S | * | * | | | trans | -75.5 | 137.9 | -177 | -157.9 | -2.4 | 0 | 0 | 0 | 111.4 | P545 | D543-P545 WeakPolarHBondContact O-CD 3.07Š|
| 544 | M | 54.1 | Low | 38.9 | Very low | 97 Ų | 97 | 126.1 Ų | 126.1 | 48% | 0.478 | 67% | 0.674 | S | S | . | * | | | trans | -120.3 | 94.4 | -166 | -168.3 | 60.8 | 59.7 | 0 | 0 | 110.8 | I148 | I148-M544 HydrophobicContact CB-CE 4.08Å; I148-M544 HydrophobicContact CB-SD 4.33Å; I148-M544 HydrophobicContact CG2-CE 4Å; I148-M544 HydrophobicContact CG2-SD 3.67Å; I148-M544 WeakPolarHBondContact O-CE 3.19Å |
| 545 | P | 55.1 | Low | 39.2 | Very low | 70 Ų | 70 | 128.9 Ų | 128.9 | 46% | 0.455 | 69% | 0.692 | S | S | . | * | P | Polyproline II helix | trans | -75.8 | 154.8 | -173.4 | 26.7 | -28.8 | 0 | 0 | 0 | 112.9 | M150 D543 | M150-P545 PolarHBondContact N-O 2.95Å; M150-P545 VanDerWaalsContact N-O 3.11Å; M150-P545 CarbonylContact O-C 2.89Å; M150-P545 WeakPolarHBondContact O-CA 3.39Å; M150-P545 WeakPolarHBondContact O-CB 3.47Å; M150-P545 VanDerWaalsContact O-CG 3.27Å; M150-P545 WeakPolarHBondContact O-CG 3.43Å; D543-P545 WeakPolarHBondContact O-CD 3.07Å |
| 546 | L | 44.8 | Very low | 39.1 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 70% | 0.696 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 125.2 | -170.5 | -93.7 | 71.9 | 0 | 0 | 0 | 113.5 | M150 Q151 L548 | M150-L546 CarbonylContact O-C 3.48Å; M150-L546 PolarHBondContact O-N 3.25Å; Q151-L546 CarbonylContact C-O 3.12Å; L546-L548 PolarHBondContact O-N 3.38Å |
| 547 | N | 40 | Very low | 39 | Very low | 99 Ų | 99 | 130.2 Ų | 130.2 | 53% | 0.529 | 72% | 0.722 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 119.4 | 158.2 | -96.3 | -40.3 | 0 | 0 | 0 | 111.3 | M150 Q151 | M150-N547 HydrophobicContact CB-CB 4.43Å; M150-N547 WeakPolarHBondContact CB-OD1 3.21Å; M150-N547 WeakPolarHBondContact CG-ND2 3.34Å; M150-N547 PolarHBondContact SD-ND2 3.38Å; Q151-N547 PolarHBondContact O-OD1 3.09Å |
| 548 | L | 41.7 | Very low | 38.8 | Very low | 111 Ų | 111 | 129 Ų | 129 | 58% | 0.581 | 72% | 0.723 | S | S | * | * | | | trans | -120 | 91.6 | 164.4 | -68.6 | 179.1 | 0 | 0 | 0 | 109.8 | L546 | L546-L548 PolarHBondContact O-N 3.38Š|
| 549 | S | 43.7 | Very low | 38.9 | Very low | 111 Ų | 111 | 126.8 Ų | 126.8 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | | | trans | -93.1 | 105.6 | 174.6 | 47.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 550 | V | 38.8 | Very low | 38.7 | Very low | 121 Ų | 121 | 129.1 Ų | 129.1 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | | | trans | -83.7 | 125.5 | 166.4 | -172.4 | 0 | 0 | 0 | 0 | 108 | | |
| 551 | K | 37 | Very low | 38.2 | Very low | 177 Ų | 177 | 128.5 Ų | 128.5 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | | | trans | -111 | 69.6 | -165 | -169.1 | -165.2 | 170.9 | -179.3 | 0 | 112.5 | S553 | K551-S553 PolarHBondContact O-N 3.37Å; K551-S553 PolarHBondContact O-OG 3.07Å |
| 552 | D | 35.5 | Very low | 37.7 | Very low | 155 Ų | 155 | 123.4 Ų | 123.4 | 83% | 0.829 | 71% | 0.714 | S | S | * | * | | | trans | -73.4 | 119.9 | 171.5 | -70.2 | -43.4 | 0 | 0 | 0 | 110.6 | | |
| 553 | S | 39.3 | Very low | 37.4 | Very low | 91 Ų | 91 | 125.6 Ų | 125.6 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | | | trans | -114.4 | 92.1 | -168.9 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | K551 | K551-S553 PolarHBondContact O-N 3.37Å; K551-S553 PolarHBondContact O-OG 3.07Å |
| 554 | C | 30.9 | Very low | 36.9 | Very low | 133 Ų | 133 | 127.1 Ų | 127.1 | 90% | 0.899 | 72% | 0.724 | S | S | * | * | | | trans | -136.8 | 105.6 | 169.8 | -74.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 555 | N | 36.9 | Very low | 35.6 | Very low | 164 Ų | 164 | 127.8 Ų | 127.8 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | | | trans | -153.7 | 90.5 | -176 | -159.2 | 3.4 | 0 | 0 | 0 | 113 | | |
| 556 | T | 33.1 | Very low | 34.9 | Very low | 149 Ų | 149 | 130.1 Ų | 130.1 | 91% | 0.914 | 75% | 0.753 | S | S | * | * | | | trans | -165 | 134.4 | 168.3 | 34.4 | 0 | 0 | 0 | 0 | 106.6 | | |
| 557 | G | 30.5 | Very low | 34.1 | Very low | 77 Ų | 77 | 128.6 Ų | 128.6 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | | | cis | -158.4 | -164.8 | -16.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 558 | S | 30.3 | Very low | 33.9 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | | | cis | -170 | 166.2 | -3.7 | -172.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 559 | L | 31.7 | Very low | 33.7 | Very low | 142 Ų | 142 | 136 Ų | 136 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | | | trans | 71.5 | 149.9 | 170.1 | -47.3 | -179.3 | 0 | 0 | 0 | 115.7 | | |
| 560 | K | 32.1 | Very low | 33.2 | Very low | 169 Ų | 169 | 138.2 Ų | 138.2 | 74% | 0.735 | 79% | 0.791 | S | S | * | * | | | cis | -158.3 | 148.8 | -0.3 | -126.5 | 165.7 | -172.7 | 176.3 | 0 | 111.7 | | |
| 561 | T | 30 | Very low | 32.9 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | trans | 16.5 | 149.1 | 142.4 | 59.8 | 0 | 0 | 0 | 0 | 121.2 | | |
| 562 | A | 29.8 | Very low | 32.8 | Very low | 71 Ų | 71 | 132.6 Ų | 132.6 | 59% | 0.587 | 80% | 0.797 | S | S | * | * | | | cis | -167.6 | 169.4 | 30.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 563 | F | 30 | Very low | 32.6 | Very low | 185 Ų | 185 | 129.4 Ų | 129.4 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | | | trans | 34 | 135.1 | 156.1 | -46.2 | -65 | 0 | 0 | 0 | 120.9 | | |
| 564 | H | 29.9 | Very low | 32.3 | Very low | 185 Ų | 185 | 132.2 Ų | 132.2 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | | | cis | -157.2 | 160.9 | 47.6 | -96.4 | -90.5 | 0 | 0 | 0 | 114.2 | | |
| 565 | S | 25.7 | Very low | 32.3 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | -92.7 | -168 | 171.1 | -25.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 566 | P | 42.2 | Very low | 33.1 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | | | cis | -124.1 | 158 | 1.9 | 40.8 | -23.6 | 0 | 0 | 0 | 114.5 | | |
| 567 | A | 27.9 | Very low | 32.9 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | | | | 83.6 | 134.1 | 67.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 568 | H | 35.3 | Very low | 33.7 | Very low | 193 Ų | 193 | 131.1 Ų | 131.1 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | | | trans | -89.3 | 158.5 | 171.2 | -105.6 | -99.1 | 0 | 0 | 0 | 111.1 | | |
| 569 | E | 37.1 | Very low | 33.7 | Very low | 171 Ų | 171 | 133 Ų | 133 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | | | | -179.2 | 175.5 | 125.8 | -110.9 | -164.4 | 149.6 | 0 | 0 | 116.8 | | |
| 570 | N | 33.8 | Very low | 33.7 | Very low | 158 Ų | 158 | 133.3 Ų | 133.3 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | | | trans | 85.3 | 135.4 | 168.7 | -54.5 | -56.1 | 0 | 0 | 0 | 118.7 | | |
| 571 | G | 31.8 | Very low | 33.7 | Very low | 73 Ų | 73 | 132.3 Ų | 132.3 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | cis | 174.2 | 142.6 | -11.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 572 | A | 34.3 | Very low | 33.8 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 88% | 0.884 | 77% | 0.773 | S | S | * | * | | | trans | 38.7 | 137.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 125 | | |
| 573 | A | 32 | Very low | 33.9 | Very low | 88 Ų | 88 | 134.1 Ų | 134.1 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | | 172 | 111.9 | 124.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 574 | T | 32.7 | Very low | 33.8 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 92% | 0.92 | 79% | 0.785 | S | S | * | * | | | trans | 56.9 | 170 | 139.7 | 46.3 | 0 | 0 | 0 | 0 | 125.7 | | |
| 575 | S | 31 | Very low | 33.9 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | trans | -139.1 | -156 | -163.1 | 60.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 576 | P | 54 | Low | 34.1 | Very low | 112 Ų | 112 | 131 Ų | 131 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | cis | -145.5 | 170.2 | -9.7 | 42 | -22.4 | 0 | 0 | 0 | 119.7 | | |
| 577 | K | 28.4 | Very low | 33.6 | Very low | 175 Ų | 175 | 129.1 Ų | 129.1 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | | | trans | 59.4 | 174.5 | 150 | -106.2 | -162.2 | 172.9 | -159.9 | 0 | 120.7 | E579 | K577-E579 VanDerWaalsContact CE-OE1 3.25Å; K577-E579 WeakPolarHBondContact CE-OE1 3.34Å; K577-E579 IonicContact NZ-OE1 3.47Å; K577-E579 PolarHBondContact NZ-OE1 3.29Å |
| 578 | P | 46.8 | Very low | 33.5 | Very low | 103 Ų | 103 | 131 Ų | 131 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | | | cis | -137.3 | 168.8 | -9.2 | 43.3 | -25.4 | 0 | 0 | 0 | 119.5 | | |
| 579 | E | 30.2 | Very low | 33.1 | Very low | 144 Ų | 144 | 129 Ų | 129 | 67% | 0.673 | 77% | 0.772 | S | S | * | * | | | trans | 45.9 | 120.3 | 138.6 | -78 | 136.6 | -119.7 | 0 | 0 | 129.2 | K577 | K577-E579 VanDerWaalsContact CE-OE1 3.25Å; K577-E579 WeakPolarHBondContact CE-OE1 3.34Å; K577-E579 IonicContact NZ-OE1 3.47Å; K577-E579 PolarHBondContact NZ-OE1 3.29Å |
| 580 | N | 31.9 | Very low | 33.5 | Very low | 148 Ų | 148 | 125.3 Ų | 125.3 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | | | | 91.6 | 155.6 | 114.2 | -145.7 | 19.8 | 0 | 0 | 0 | 125.9 | | |
| 581 | E | 33.4 | Very low | 33.3 | Very low | 148 Ų | 148 | 127.5 Ų | 127.5 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | | | trans | 81.6 | 111.4 | 157 | -58.6 | -141.9 | 78.7 | 0 | 0 | 126.5 | | |
| 582 | N | 31.3 | Very low | 33.2 | Very low | 129 Ų | 129 | 131 Ų | 131 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | | | | 62.9 | 115.6 | 120.7 | -72.8 | -31.4 | 0 | 0 | 0 | 128.3 | | |
| 583 | S | 31.6 | Very low | 33.5 | Very low | 107 Ų | 107 | 131 Ų | 131 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | | | | 88 | 166.1 | 120.1 | 81 | 0 | 0 | 0 | 0 | 124.3 | | |
| 584 | M | 28.8 | Very low | 33.4 | Very low | 185 Ų | 185 | 133.4 Ų | 133.4 | 91% | 0.911 | 76% | 0.756 | S | S | * | * | | | trans | 68.3 | 153.3 | 175.2 | -72.9 | -163 | 164.1 | 0 | 0 | 118.8 | | |
| 585 | A | 31.7 | Very low | 33.2 | Very low | 70 Ų | 70 | 133.5 Ų | 133.5 | 58% | 0.579 | 75% | 0.751 | S | S | * | * | | | cis | -166.9 | 166.1 | -23.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 586 | D | 29.2 | Very low | 33.1 | Very low | 159 Ų | 159 | 134.4 Ų | 134.4 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | | | trans | 58.4 | 169.6 | 158.8 | -62.9 | -34 | 0 | 0 | 0 | 121.4 | | |
| 587 | A | 31.7 | Very low | 32 | Very low | 80 Ų | 80 | 134 Ų | 134 | 66% | 0.661 | 76% | 0.763 | S | S | * | * | | | | 171.7 | 118.9 | -60.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 588 | C | 27.1 | Very low | 31.9 | Very low | 141 Ų | 141 | 129 Ų | 129 | 95% | 0.953 | 76% | 0.762 | S | S | * | * | | | trans | -176.7 | 154.3 | 140.5 | -100.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 589 | N | 26.1 | Very low | 31 | Very low | 150 Ų | 150 | 131.7 Ų | 131.7 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | | | trans | -126.4 | -164.9 | 171 | -142.9 | -11.6 | 0 | 0 | 0 | 105.1 | | |
| 590 | P | 44.8 | Very low | 31.3 | Very low | 94 Ų | 94 | 133.8 Ų | 133.8 | 61% | 0.61 | 78% | 0.778 | S | S | * | * | | | cis | -125.3 | 169 | -36.9 | 38.6 | -25.7 | 0 | 0 | 0 | 112.6 | | |
| 591 | K | 29.5 | Very low | 31.2 | Very low | 205 Ų | 205 | 131.8 Ų | 131.8 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | | | | 179.7 | 149.8 | 125 | -101.7 | 160.7 | -177 | 173.4 | 0 | 113.7 | | |
| 592 | N | 29.8 | Very low | 31.1 | Very low | 147 Ų | 147 | 128.8 Ų | 128.8 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | | | trans | -125.9 | 149.2 | 164.6 | -151.6 | -16.9 | 0 | 0 | 0 | 105.9 | | |
| 593 | P | 41.5 | Very low | 31 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 69% | 0.688 | 78% | 0.778 | S | S | * | * | | | | -153.6 | 140.5 | 113.8 | 36 | -17.2 | 0 | 0 | 0 | 117.6 | | |
| 594 | I | 30.3 | Very low | 31.2 | Very low | 138 Ų | 138 | 134.4 Ų | 134.4 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | | | | 67.9 | 113.4 | 128.6 | -59.5 | 172.6 | 0 | 0 | 0 | 120 | | |
| 595 | N | 29.3 | Very low | 31.7 | Very low | 152 Ų | 152 | 129.5 Ų | 129.5 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | | | trans | 38.5 | 128.4 | 139.2 | -48.4 | -7.3 | 0 | 0 | 0 | 122.1 | | |
| 596 | S | 28.7 | Very low | 32.1 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | | | | -173.7 | 171.4 | 106.7 | -159.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 597 | A | 29.5 | Very low | 32.7 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | trans | -78.8 | 165.8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 598 | G | 26.1 | Very low | 33.4 | Very low | 71 Ų | 71 | 137.9 Ų | 137.9 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | | | trans | 177.8 | 96.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 599 | D | 29.3 | Very low | 34.3 | Very low | 160 Ų | 160 | 138 Ų | 138 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | | | trans | 67 | 170.9 | 146.6 | -89.2 | -52.2 | 0 | 0 | 0 | 125.7 | | |
| 600 | K | 36 | Very low | 35.5 | Very low | 187 Ų | 187 | 133.5 Ų | 133.5 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | | | trans | -101.4 | -178.7 | -167.8 | -54.2 | 163.5 | -175.2 | 161.9 | 0 | 110.4 | | |
| 601 | C | 29.3 | Very low | 35.8 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 72% | 0.723 | 74% | 0.743 | S | S | * | * | | | cis | -162.2 | 166.2 | 18.6 | -150.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 602 | S | 31.8 | Very low | 36.8 | Very low | 84 Ų | 84 | 128.8 Ų | 128.8 | 59% | 0.587 | 73% | 0.727 | S | S | * | * | | | trans | 18 | 133 | 151.5 | 61.4 | 0 | 0 | 0 | 0 | 122.9 | | |
| 603 | F | 29.8 | Very low | 38 | Very low | 200 Ų | 200 | 127.8 Ų | 127.8 | 88% | 0.877 | 72% | 0.721 | S | S | * | * | | | | -179.9 | 106 | 126 | -98.5 | -60.6 | 0 | 0 | 0 | 113.6 | | |
| 604 | T | 34.8 | Very low | 38.7 | Very low | 155 Ų | 155 | 131.1 Ų | 131.1 | 95% | 0.951 | 72% | 0.719 | S | S | * | * | | | trans | -152.5 | 62.4 | 171.7 | 39.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 605 | A | 38.6 | Very low | 40.2 | Very low | 82 Ų | 82 | 129.7 Ų | 129.7 | 68% | 0.678 | 71% | 0.712 | S | S | * | * | | | trans | -111.4 | -25.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 606 | H | 40.3 | Very low | 41.6 | Very low | 168 Ų | 168 | 126.9 Ų | 126.9 | 78% | 0.778 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -94.1 | 7.8 | -164.2 | -97.6 | -64.5 | 0 | 0 | 0 | 117.1 | | |
| 607 | R | 42.5 | Very low | 43.2 | Very low | 199 Ų | 199 | 126.4 Ų | 126.4 | 75% | 0.751 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -79.3 | -23.2 | -170.1 | -160.2 | 172.9 | -171.9 | 178.2 | 3 | 114.9 | | |
| 608 | N | 45.5 | Very low | 45 | Very low | 118 Ų | 118 | 124.7 Ų | 124.7 | 63% | 0.631 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -82.3 | -42.9 | -158.5 | -60.5 | -10.3 | 0 | 0 | 0 | 114 | A610 Q611 D612 | N608-A610 VanDerWaalsContact C-N 3.27Å; N608-A610 PolarHBondContact O-N 3.28Å; N608-Q611 PolarHBondContact O-N 3.15Å; N608-D612 PolarHBondContact O-N 3.2Å |
| 609 | E | 47.9 | Very low | 47.3 | Very low | 142 Ų | 142 | 123.7 Ų | 123.7 | 66% | 0.664 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -63 | -33.4 | -177.6 | -63.8 | 176.3 | 121.9 | 0 | 0 | 112.5 | Q611 D612 L613 | E609-Q611 PolarHBondContact O-N 3Å; E609-D612 PolarHBondContact O-N 3.04Å; E609-L613 PolarHBondContact O-N 3.43Å |
| 610 | A | 49.6 | Very low | 50 | Low | 57 Ų | 57 | 119.7 Ų | 119.7 | 47% | 0.471 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -77.9 | -0.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | N608 R614 | N608-A610 VanDerWaalsContact C-N 3.27Å; N608-A610 PolarHBondContact O-N 3.28Å; A610-R614 PolarHBondContact O-NE 3.43Å; A610-R614 PolarHBondContact O-NH2 2.92Å; A610-R614 VanDerWaalsContact O-NH2 3.09Å |
| 611 | Q | 52.8 | Low | 52.3 | Low | 99 Ų | 99 | 116.8 Ų | 116.8 | 46% | 0.463 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -98.1 | -44.5 | 164.4 | -68.3 | -172.2 | -91.4 | 0 | 0 | 110.8 | N608 E609 L613 R614 I615 | N608-Q611 PolarHBondContact O-N 3.15Å; E609-Q611 PolarHBondContact O-N 3Å; Q611-L613 PolarHBondContact O-N 2.81Å; Q611-R614 PolarHBondContact O-N 3.47Å; Q611-I615 WeakPolarHBondContact O-CG1 3.17Å; Q611-I615 PolarHBondContact O-N 3.02Å |
| 612 | D | 50.5 | Low | 55.2 | Low | 100 Ų | 100 | 118.3 Ų | 118.3 | 54% | 0.535 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -58.7 | -46.1 | -175.6 | -154 | 29.5 | 0 | 0 | 0 | 112.3 | N608 E609 R614 I615 I616 | N608-D612 PolarHBondContact O-N 3.2Å; E609-D612 PolarHBondContact O-N 3.04Å; D612-R614 VanDerWaalsContact C-N 3.27Å; D612-R614 PolarHBondContact O-N 3.38Å; D612-I615 PolarHBondContact O-N 3.17Å; D612-I615 VanDerWaalsContact O-N 3.13Å; D612-I616 WeakPolarHBondContact O-CG1 3.47Å; D612-I616 PolarHBondContact O-N 3.04Å |
| 613 | L | 54.3 | Low | 58.1 | Low | 127 Ų | 127 | 119.7 Ų | 119.7 | 67% | 0.665 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -59.9 | -31.9 | 175.9 | -68.1 | 175.5 | 0 | 0 | 0 | 113.9 | E609 Q611 D617 | E609-L613 PolarHBondContact O-N 3.43Å; Q611-L613 PolarHBondContact O-N 2.81Å; L613-D617 PolarHBondContact O-N 3.03Å |
| 614 | R | 56.3 | Low | 61.1 | Low | 175 Ų | 175 | 116.7 Ų | 116.7 | 66% | 0.66 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -82.4 | -26.1 | 177.6 | -75 | -171.8 | -73.5 | 172.8 | -3.9 | 113.2 | A610 Q611 D612 S618 | A610-R614 PolarHBondContact O-NE 3.43Å; A610-R614 PolarHBondContact O-NH2 2.92Å; A610-R614 VanDerWaalsContact O-NH2 3.09Å; Q611-R614 PolarHBondContact O-N 3.47Å; D612-R614 VanDerWaalsContact C-N 3.27Å; D612-R614 PolarHBondContact O-N 3.38Å; R614-S618 VanDerWaalsContact O-CB 3.3Å; R614-S618 WeakPolarHBondContact O-CB 3.49Å; R614-S618 PolarHBondContact O-N 3.3Å; R614-S618 VanDerWaalsContact O-N 3.15Å |
| 615 | I | 60.5 | Low | 63.9 | Low | 108 Ų | 108 | 113.6 Ų | 113.6 | 55% | 0.554 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.1 | -37.8 | 172.1 | -66.8 | 163.1 | 0 | 0 | 0 | 110 | Q611 D612 C619 | Q611-I615 WeakPolarHBondContact O-CG1 3.17Å; Q611-I615 PolarHBondContact O-N 3.02Å; D612-I615 PolarHBondContact O-N 3.17Å; D612-I615 VanDerWaalsContact O-N 3.13Å; I615-C619 VanDerWaalsContact O-CB 3.29Å; I615-C619 WeakPolarHBondContact O-CB 3.27Å; I615-C619 PolarHBondContact O-N 2.79Å; I615-C619 VanDerWaalsContact O-N 3.08Å |
| 616 | I | 60.6 | Low | 66.5 | Low | 93 Ų | 93 | 111.9 Ų | 111.9 | 48% | 0.477 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64 | -49.8 | 176 | -66.4 | 163.6 | 0 | 0 | 0 | 111.2 | D612 C619 D620 | D612-I616 WeakPolarHBondContact O-CG1 3.47Å; D612-I616 PolarHBondContact O-N 3.04Å; I616-C619 WeakPolarHBondContact O-CB 3.09Å; I616-C619 PolarHBondContact O-N 2.94Å; I616-C619 VanDerWaalsContact O-N 3.16Å; I616-D620 PolarHBondContact O-N 3.41Å |
| 617 | D | 61.1 | Low | 69 | Low | 119 Ų | 119 | 106.3 Ų | 106.3 | 64% | 0.636 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.9 | -47.1 | -178.4 | -159.2 | 26.1 | 0 | 0 | 0 | 111.7 | L613 C619 D620 E621 | L613-D617 PolarHBondContact O-N 3.03Å; D617-C619 PolarHBondContact O-N 3.46Å; D617-D620 PolarHBondContact O-N 3.29Å; D617-E621 PolarHBondContact O-N 3.07Å |
| 618 | S | 67.2 | Low | 71.4 | Confident | 68 Ų | 68 | 100.7 Ų | 100.7 | 48% | 0.476 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.8 | -32.4 | 174.1 | -176.8 | 0 | 0 | 0 | 0 | 112.9 | R614 Q622 | R614-S618 VanDerWaalsContact O-CB 3.3Å; R614-S618 WeakPolarHBondContact O-CB 3.49Å; R614-S618 PolarHBondContact O-N 3.3Å; R614-S618 VanDerWaalsContact O-N 3.15Å; S618-Q622 VanDerWaalsContact O-CB 3.29Å; S618-Q622 WeakPolarHBondContact O-CB 3.39Å; S618-Q622 PolarHBondContact O-N 3.26Å |
| 619 | C | 75.8 | Confident | 73.8 | Confident | 50 Ų | 50 | 97 Ų | 97 | 34% | 0.338 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.4 | -33.1 | 175.4 | -166.3 | 0 | 0 | 0 | 0 | 112.3 | I615 I616 D617 K623 | I615-C619 VanDerWaalsContact O-CB 3.29Å; I615-C619 WeakPolarHBondContact O-CB 3.27Å; I615-C619 PolarHBondContact O-N 2.79Å; I615-C619 VanDerWaalsContact O-N 3.08Å; I616-C619 WeakPolarHBondContact O-CB 3.09Å; I616-C619 PolarHBondContact O-N 2.94Å; I616-C619 VanDerWaalsContact O-N 3.16Å; D617-C619 PolarHBondContact O-N 3.46Å; C619-K623 WeakPolarHBondContact O-CD 3.4Å; C619-K623 WeakPolarHBondContact O-CE 3.42Å; C619-K623 WeakPolarHBondContact O-CG 3.41Å; C619-K623 PolarHBondContact O-N 2.95Å; C619-K623 VanDerWaalsContact O-N 3.13Å; C619-K623 WeakPolarHBondContact SG-CE 3.21Å; C619-K623 PolarHBondContact SG-NZ 2.98Å |
| 620 | D | 84.1 | Confident | 76 | Confident | 75 Ų | 75 | 95.8 Ų | 95.8 | 40% | 0.401 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -80.1 | -34.9 | 175.4 | -83 | 3.4 | 0 | 0 | 0 | 112.5 | I616 D617 Q622 K623 Q624 | I616-D620 PolarHBondContact O-N 3.41Å; D617-D620 PolarHBondContact O-N 3.29Å; D620-Q622 VanDerWaalsContact C-N 3.34Å; D620-K623 PolarHBondContact O-N 3.09Å; D620-K623 WeakPolarHBondContact OD1-CD 3.47Å; D620-K623 IonicContact OD1-NZ 3.07Å; D620-K623 PolarHBondContact OD1-NZ 3.05Å; D620-Q624 VanDerWaalsContact O-CG 3.3Å; D620-Q624 WeakPolarHBondContact O-CG 3.16Å; D620-Q624 PolarHBondContact O-N 3.14Å; D620-Q624 PolarHBondContact O-NE2 3.35Å |
| 621 | E | 85.9 | Confident | 78 | Confident | 126 Ų | 126 | 97.3 Ų | 97.3 | 59% | 0.589 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.3 | -43.1 | 168 | -174.3 | -179.3 | -162 | 0 | 0 | 111.3 | D617 K623 Q624 T625 | D617-E621 PolarHBondContact O-N 3.07Å; E621-K623 PolarHBondContact O-N 3.07Å; E621-Q624 PolarHBondContact O-N 3.33Å; E621-T625 WeakPolarHBondContact O-CB 3.44Å; E621-T625 PolarHBondContact O-N 3.24Å; E621-T625 PolarHBondContact O-OG1 3.33Å |
| 622 | Q | 90.3 | Very high | 79.8 | Confident | 140 Ų | 140 | 98.5 Ų | 98.5 | 65% | 0.654 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.1 | -38.9 | 175.8 | -168.4 | 179.6 | 27.4 | 0 | 0 | 112.1 | S618 D620 A626 | S618-Q622 VanDerWaalsContact O-CB 3.29Å; S618-Q622 WeakPolarHBondContact O-CB 3.39Å; S618-Q622 PolarHBondContact O-N 3.26Å; D620-Q622 VanDerWaalsContact C-N 3.34Å; Q622-A626 VanDerWaalsContact O-CB 3.29Å; Q622-A626 WeakPolarHBondContact O-CB 3.27Å; Q622-A626 PolarHBondContact O-N 3.1Å |
| 623 | K | 91 | Very high | 81.6 | Confident | 113 Ų | 113 | 99.9 Ų | 99.9 | 49% | 0.491 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 173.9 | -72.5 | 161.4 | -148.8 | 151.3 | 0 | 112 | C619 D620 E621 A626 A627 | C619-K623 WeakPolarHBondContact O-CD 3.4Å; C619-K623 WeakPolarHBondContact O-CE 3.42Å; C619-K623 WeakPolarHBondContact O-CG 3.41Å; C619-K623 PolarHBondContact O-N 2.95Å; C619-K623 VanDerWaalsContact O-N 3.13Å; C619-K623 WeakPolarHBondContact SG-CE 3.21Å; C619-K623 PolarHBondContact SG-NZ 2.98Å; D620-K623 PolarHBondContact O-N 3.09Å; D620-K623 WeakPolarHBondContact OD1-CD 3.47Å; D620-K623 IonicContact OD1-NZ 3.07Å; D620-K623 PolarHBondContact OD1-NZ 3.05Å; E621-K623 PolarHBondContact O-N 3.07Å; K623-A626 PolarHBondContact O-N 3.17Å; K623-A627 WeakPolarHBondContact O-CB 3.45Å; K623-A627 PolarHBondContact O-N 3.38Å |
| 624 | Q | 93.5 | Very high | 82.9 | Confident | 136 Ų | 136 | 97.4 Ų | 97.4 | 64% | 0.636 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.4 | -46.1 | 176.8 | -72.8 | 173.3 | 61.5 | 0 | 0 | 111 | D620 E621 A626 A627 V628 | D620-Q624 VanDerWaalsContact O-CG 3.3Å; D620-Q624 WeakPolarHBondContact O-CG 3.16Å; D620-Q624 PolarHBondContact O-N 3.14Å; D620-Q624 PolarHBondContact O-NE2 3.35Å; E621-Q624 PolarHBondContact O-N 3.33Å; Q624-A626 PolarHBondContact O-N 3.29Å; Q624-A627 PolarHBondContact O-N 3.29Å; Q624-V628 WeakPolarHBondContact O-CG2 3.25Å; Q624-V628 PolarHBondContact O-N 3.29Å |
| 625 | T | 93.3 | Very high | 84 | Confident | 90 Ų | 90 | 93 Ų | 93 | 55% | 0.552 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60 | -45.5 | 175.7 | -56.5 | 0 | 0 | 0 | 0 | 111.7 | E621 A627 V628 A629 | E621-T625 WeakPolarHBondContact O-CB 3.44Å; E621-T625 PolarHBondContact O-N 3.24Å; E621-T625 PolarHBondContact O-OG1 3.33Å; T625-A627 PolarHBondContact O-N 3.45Å; T625-V628 PolarHBondContact O-N 3.35Å; T625-A629 WeakPolarHBondContact O-CB 2.99Å; T625-A629 PolarHBondContact O-N 3.21Å |
| 626 | A | 93.1 | Very high | 84.7 | Confident | 47 Ų | 47 | 97.1 Ų | 97.1 | 39% | 0.388 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q622 K623 Q624 A629 L630 | Q622-A626 VanDerWaalsContact O-CB 3.29Å; Q622-A626 WeakPolarHBondContact O-CB 3.27Å; Q622-A626 PolarHBondContact O-N 3.1Å; K623-A626 PolarHBondContact O-N 3.17Å; Q624-A626 PolarHBondContact O-N 3.29Å; A626-A629 PolarHBondContact O-N 3.23Å; A626-L630 WeakPolarHBondContact O-CB 3.42Å; A626-L630 VanDerWaalsContact O-CG 3.29Å; A626-L630 WeakPolarHBondContact O-CG 3.05Å; A626-L630 PolarHBondContact O-N 3.24Å |
| 627 | A | 93.1 | Very high | 84.6 | Confident | 50 Ų | 50 | 97 Ų | 97 | 41% | 0.413 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.7 | -42.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K623 Q624 T625 L630 C631 | K623-A627 WeakPolarHBondContact O-CB 3.45Å; K623-A627 PolarHBondContact O-N 3.38Å; Q624-A627 PolarHBondContact O-N 3.29Å; T625-A627 PolarHBondContact O-N 3.45Å; A627-L630 PolarHBondContact O-N 3.13Å; A627-C631 WeakPolarHBondContact O-CB 2.63Å; A627-C631 PolarHBondContact O-N 3.2Å; A627-C631 PolarHBondContact O-SG 3.35Å |
| 628 | V | 94.3 | Very high | 84.4 | Confident | 82 Ų | 82 | 97.1 Ų | 97.1 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.2 | -45.5 | 174.4 | 171.2 | 0 | 0 | 0 | 0 | 111 | Q624 T625 L630 C631 Q632 | Q624-V628 WeakPolarHBondContact O-CG2 3.25Å; Q624-V628 PolarHBondContact O-N 3.29Å; T625-V628 PolarHBondContact O-N 3.35Å; V628-L630 PolarHBondContact O-N 3.48Å; V628-C631 PolarHBondContact O-N 3.44Å; V628-Q632 HydrophobicContact CG1-CG 4.48Å; V628-Q632 WeakPolarHBondContact O-CG 2.97Å; V628-Q632 PolarHBondContact O-N 3.11Å |
| 629 | A | 94.6 | Very high | 83.5 | Confident | 40 Ų | 40 | 99.2 Ų | 99.2 | 33% | 0.331 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.7 | -41.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T625 A626 Q632 L633 | T625-A629 WeakPolarHBondContact O-CB 2.99Å; T625-A629 PolarHBondContact O-N 3.21Å; A626-A629 PolarHBondContact O-N 3.23Å; A629-Q632 PolarHBondContact O-N 3.31Å; A629-L633 WeakPolarHBondContact O-CG 3.14Å; A629-L633 PolarHBondContact O-N 2.89Å |
| 630 | L | 93.9 | Very high | 82 | Confident | 117 Ų | 117 | 106.2 Ų | 106.2 | 61% | 0.613 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.5 | -37.4 | 174.9 | -73.3 | 170 | 0 | 0 | 0 | 112.5 | A626 A627 V628 L633 A634 | A626-L630 WeakPolarHBondContact O-CB 3.42Å; A626-L630 VanDerWaalsContact O-CG 3.29Å; A626-L630 WeakPolarHBondContact O-CG 3.05Å; A626-L630 PolarHBondContact O-N 3.24Å; A627-L630 PolarHBondContact O-N 3.13Å; V628-L630 PolarHBondContact O-N 3.48Å; L630-L633 PolarHBondContact O-N 3.27Å; L630-A634 WeakPolarHBondContact O-CB 2.59Å; L630-A634 PolarHBondContact O-N 3.36Å |
| 631 | C | 91.4 | Very high | 80 | Confident | 88 Ų | 88 | 107.2 Ų | 107.2 | 60% | 0.595 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.9 | -39.6 | 172.7 | -72.6 | 0 | 0 | 0 | 0 | 112 | A627 V628 A634 A635 | A627-C631 WeakPolarHBondContact O-CB 2.63Å; A627-C631 PolarHBondContact O-N 3.2Å; A627-C631 PolarHBondContact O-SG 3.35Å; V628-C631 PolarHBondContact O-N 3.44Å; C631-A634 PolarHBondContact O-N 3.34Å; C631-A635 WeakPolarHBondContact O-CB 3.34Å; C631-A635 PolarHBondContact O-N 3.23Å |
| 632 | Q | 92.3 | Very high | 77.7 | Confident | 125 Ų | 125 | 111.3 Ų | 111.3 | 58% | 0.584 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63.3 | -45.8 | 173.6 | -74.2 | 173.2 | -9.3 | 0 | 0 | 111.3 | V628 A629 A634 A635 Y636 | V628-Q632 HydrophobicContact CG1-CG 4.48Å; V628-Q632 WeakPolarHBondContact O-CG 2.97Å; V628-Q632 PolarHBondContact O-N 3.11Å; A629-Q632 PolarHBondContact O-N 3.31Å; Q632-A634 VanDerWaalsContact C-N 3.32Å; Q632-A634 PolarHBondContact O-N 2.62Å; Q632-A635 PolarHBondContact O-N 2.91Å; Q632-Y636 WeakPolarHBondContact O-CB 3.27Å; Q632-Y636 PolarHBondContact O-N 3.05Å |
| 633 | L | 88.3 | Confident | 75.4 | Confident | 128 Ų | 128 | 113.7 Ų | 113.7 | 67% | 0.67 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.6 | -33.8 | 175.8 | -71.6 | 168.9 | 0 | 0 | 0 | 113 | A629 L630 | A629-L633 WeakPolarHBondContact O-CG 3.14Å; A629-L633 PolarHBondContact O-N 2.89Å; L630-L633 PolarHBondContact O-N 3.27Å |
| 634 | A | 79.9 | Confident | 72.7 | Confident | 75 Ų | 75 | 113.6 Ų | 113.6 | 62% | 0.62 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -72.8 | -36.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L630 C631 Q632 Y636 | L630-A634 WeakPolarHBondContact O-CB 2.59Å; L630-A634 PolarHBondContact O-N 3.36Å; C631-A634 PolarHBondContact O-N 3.34Å; Q632-A634 VanDerWaalsContact C-N 3.32Å; Q632-A634 PolarHBondContact O-N 2.62Å; A634-Y636 VanDerWaalsContact C-N 3.33Å |
| 635 | A | 79.8 | Confident | 70 | Confident | 82 Ų | 82 | 114.7 Ų | 114.7 | 68% | 0.678 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -69.1 | -32.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | C631 Q632 S637 | C631-A635 WeakPolarHBondContact O-CB 3.34Å; C631-A635 PolarHBondContact O-N 3.23Å; Q632-A635 PolarHBondContact O-N 2.91Å; A635-S637 PolarHBondContact O-N 3.34Å |
| 636 | Y | 74.8 | Confident | 67.2 | Low | 196 Ų | 196 | 119.6 Ų | 119.6 | 77% | 0.769 | 67% | 0.671 | S | S | * | * | | | trans | -75.9 | 52.9 | 173.8 | -124.7 | -88.8 | 0 | 0 | 0 | 112.6 | Q632 A634 P638 | Q632-Y636 WeakPolarHBondContact O-CB 3.27Å; Q632-Y636 PolarHBondContact O-N 3.05Å; A634-Y636 VanDerWaalsContact C-N 3.33Å; Y636-P638 VanDerWaalsContact O-CD 3.31Å; Y636-P638 WeakPolarHBondContact O-CD 2.5Å |
| 637 | S | 59.1 | Low | 64.4 | Low | 91 Ų | 91 | 120.4 Ų | 120.4 | 64% | 0.636 | 68% | 0.684 | S | S | * | * | | | trans | -57.8 | 119.3 | 161.9 | -71 | 0 | 0 | 0 | 0 | 108.5 | A635 S639 | A635-S637 PolarHBondContact O-N 3.34Å; S637-S639 VanDerWaalsContact C-N 3.32Å; S637-S639 PolarHBondContact O-N 3.43Å |
| 638 | P | 57.9 | Low | 61.6 | Low | 120 Ų | 120 | 127.4 Ų | 127.4 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | | | trans | -68.3 | 96 | 175.5 | 27.6 | -32.9 | 0 | 0 | 0 | 108.2 | Y636 K640 | Y636-P638 VanDerWaalsContact O-CD 3.31Å; Y636-P638 WeakPolarHBondContact O-CD 2.5Å; P638-K640 PolarHBondContact O-N 3.36Å |
| 639 | S | 46.7 | Very low | 58.5 | Low | 113 Ų | 113 | 128.6 Ų | 128.6 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | | | trans | -53.8 | 125.2 | 172.7 | -174 | 0 | 0 | 0 | 0 | 107.9 | S637 A641 | S637-S639 VanDerWaalsContact C-N 3.32Å; S637-S639 PolarHBondContact O-N 3.43Å; S639-A641 PolarHBondContact O-N 2.76Å |
| 640 | K | 45.2 | Very low | 55.9 | Low | 197 Ų | 197 | 132.4 Ų | 132.4 | 86% | 0.857 | 74% | 0.742 | S | S | * | * | | | trans | -63.1 | 104.3 | 175.6 | -75.1 | -171.7 | 175.7 | -174.2 | 0 | 107.3 | P638 R642 | P638-K640 PolarHBondContact O-N 3.36Å; K640-R642 VanDerWaalsContact C-N 3.28Å; K640-R642 PolarHBondContact O-N 2.82Å |
| 641 | A | 41.8 | Very low | 52.9 | Low | 96 Ų | 96 | 135.7 Ų | 135.7 | 79% | 0.793 | 75% | 0.754 | S | S | * | * | | | trans | -59.4 | 94.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | S639 M643 | S639-A641 PolarHBondContact O-N 2.76Å; A641-M643 VanDerWaalsContact C-N 3.29Å; A641-M643 PolarHBondContact O-N 2.71Å |
| 642 | R | 38.5 | Very low | 49.9 | Very low | 211 Ų | 211 | 137.8 Ų | 137.8 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | | | trans | -73.2 | 90.9 | 176 | -178.2 | 179.8 | 176.9 | -167.6 | -8.8 | 106.7 | K640 D644 | K640-R642 VanDerWaalsContact C-N 3.28Å; K640-R642 PolarHBondContact O-N 2.82Å; R642-D644 IonicContact CZ-OD2 2.66Å; R642-D644 IonicContact NE-OD2 2.62Å; R642-D644 PolarHBondContact NE-OD2 3.17Å; R642-D644 IonicContact NH2-OD2 2.6Å; R642-D644 PolarHBondContact NH2-OD2 2.69Å; R642-D644 PolarHBondContact O-N 3.16Å |
| 643 | M | 41.2 | Very low | 46.7 | Very low | 191 Ų | 191 | 137 Ų | 137 | 94% | 0.941 | 77% | 0.766 | S | S | * | * | | | trans | -76.7 | 65.6 | 177.2 | -162.4 | 158.1 | 72.7 | 0 | 0 | 110 | A641 | A641-M643 VanDerWaalsContact C-N 3.29Å; A641-M643 PolarHBondContact O-N 2.71Å |
| 644 | D | 34.4 | Very low | 43.8 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 59% | 0.594 | 77% | 0.771 | S | S | * | * | | | trans | -87.6 | 153.5 | 156.7 | -88.2 | -56.1 | 0 | 0 | 0 | 108.9 | R642 | R642-D644 IonicContact CZ-OD2 2.66Å; R642-D644 IonicContact NE-OD2 2.62Å; R642-D644 PolarHBondContact NE-OD2 3.17Å; R642-D644 IonicContact NH2-OD2 2.6Å; R642-D644 PolarHBondContact NH2-OD2 2.69Å; R642-D644 PolarHBondContact O-N 3.16Å |
| 645 | N | 36.6 | Very low | 41.2 | Very low | 159 Ų | 159 | 140.4 Ų | 140.4 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | | | trans | -106 | 175.3 | -156.9 | -156.3 | -6 | 0 | 0 | 0 | 112.6 | | |
| 646 | E | 34.9 | Very low | 38.8 | Very low | 193 Ų | 193 | 142.4 Ų | 142.4 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | | | trans | 72.2 | 149.3 | 170.9 | -131.7 | 162 | -173.7 | 0 | 0 | 114.9 | | |
| 647 | G | 34.1 | Very low | 36.5 | Very low | 64 Ų | 64 | 138.9 Ų | 138.9 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | | | trans | -174.5 | 179.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 648 | Q | 33.9 | Very low | 35.1 | Very low | 196 Ų | 196 | 140.5 Ų | 140.5 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | | | trans | -162.4 | 148 | 176.4 | -107.6 | 152.7 | 55.8 | 0 | 0 | 111.5 | | |
| 649 | S | 28.4 | Very low | 33.6 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | trans | 28 | 134.6 | 160.5 | -153.5 | 0 | 0 | 0 | 0 | 121.7 | | |
| 650 | P | 40.2 | Very low | 32.7 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | | | trans | -75 | 147.9 | 166 | 33.9 | -34.7 | 0 | 0 | 0 | 111.7 | | |
| 651 | Q | 31.9 | Very low | 31.8 | Very low | 185 Ų | 185 | 138.4 Ų | 138.4 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | trans | -154 | 158.2 | 157.2 | -158.9 | 153.9 | 13.2 | 0 | 0 | 112.7 | | |
| 652 | D | 28.2 | Very low | 31.1 | Very low | 133 Ų | 133 | 144.4 Ų | 144.4 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | | | trans | -78.5 | 153.1 | -158.5 | -48.9 | -94.5 | 0 | 0 | 0 | 117.3 | | |
| 653 | C | 25.5 | Very low | 30.5 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | | | trans | 51.5 | 158.5 | 132.8 | -70.2 | 0 | 0 | 0 | 0 | 124.2 | | |
| 654 | N | 26.8 | Very low | 29.8 | Very low | 144 Ų | 144 | 137 Ų | 137 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | | | trans | 82.2 | 100.8 | 156.6 | -56.9 | -31.8 | 0 | 0 | 0 | 119.4 | | |
| 655 | T | 26.2 | Very low | 29.5 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | | | | 12.7 | 125.8 | 125.8 | 54.8 | 0 | 0 | 0 | 0 | 118.9 | | |
| 656 | S | 29 | Very low | 28.9 | Very low | 124 Ų | 124 | 136.7 Ų | 136.7 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | | | | -165 | 161.6 | 118.3 | 42.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 657 | C | 27 | Very low | 28.7 | Very low | 123 Ų | 123 | 131.3 Ų | 131.3 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | | | trans | -122.8 | 128.4 | 172.8 | 176.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 658 | T | 28.4 | Very low | 28.5 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | | | trans | 169.8 | 167.7 | 162.5 | 21.7 | 0 | 0 | 0 | 0 | 107 | | |
| 659 | E | 25.8 | Very low | 28.3 | Very low | 181 Ų | 181 | 132.9 Ų | 132.9 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | | | cis | -161.6 | 169.1 | -47.6 | 179.9 | 159.1 | -171.4 | 0 | 0 | 106.7 | | |
| 660 | A | 28.5 | Very low | 28.3 | Very low | 86 Ų | 86 | 133.5 Ų | 133.5 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | | | trans | -64.7 | 158.4 | -171 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 661 | T | 26.7 | Very low | 27.9 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | | | trans | 162.4 | 110.5 | 132.7 | -72.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 662 | R | 27.1 | Very low | 27.6 | Very low | 221 Ų | 221 | 129.4 Ų | 129.4 | 83% | 0.834 | 74% | 0.741 | S | S | * | * | | | | 85.4 | 149.9 | 60.9 | -160.9 | -165.6 | -171.7 | 177.7 | 2.9 | 112.6 | | |
| 663 | N | 25.2 | Very low | 27.6 | Very low | 135 Ų | 135 | 129.8 Ų | 129.8 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | | | trans | 85.4 | 155.1 | 174.2 | -46.3 | -31.9 | 0 | 0 | 0 | 115.2 | | |
| 664 | S | 26.8 | Very low | 27.8 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | | | cis | -172.4 | -172.6 | -29.5 | -164.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 665 | S | 27.8 | Very low | 28 | Very low | 89 Ų | 89 | 134.5 Ų | 134.5 | 62% | 0.622 | 75% | 0.746 | S | S | * | * | | | trans | 77.5 | 111.5 | 171.2 | -138.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 666 | E | 25.4 | Very low | 28.5 | Very low | 176 Ų | 176 | 134 Ų | 134 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | | | | 77.7 | 156.5 | 75.6 | -70.6 | 161.9 | 109.3 | 0 | 0 | 113.9 | | |
| 667 | A | 28.8 | Very low | 28.8 | Very low | 79 Ų | 79 | 137.6 Ų | 137.6 | 65% | 0.653 | 74% | 0.743 | S | S | * | * | | | cis | -175.9 | 177.5 | -29 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 668 | Q | 31.4 | Very low | 29 | Very low | 168 Ų | 168 | 135.3 Ų | 135.3 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | | | trans | 71.7 | 117.6 | 168.3 | -55.7 | -153.1 | -104 | 0 | 0 | 116.2 | | |
| 669 | D | 28.2 | Very low | 29.4 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 67% | 0.668 | 74% | 0.742 | S | S | * | * | | | | 87.5 | 148.8 | 90.2 | -72 | -45.4 | 0 | 0 | 0 | 112.9 | | |
| 670 | T | 30 | Very low | 29.8 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | | | cis | -155.3 | -172.9 | -3.4 | 15.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 671 | Q | 31.1 | Very low | 30.1 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | | | cis | -154.9 | 153.7 | 7.3 | -139.4 | -160.3 | 102.4 | 0 | 0 | 113.2 | | |
| 672 | S | 26.3 | Very low | 30.3 | Very low | 60 Ų | 60 | 146.7 Ų | 146.7 | 42% | 0.42 | 76% | 0.758 | S | S | . | * | | | trans | 23.2 | 130.8 | 137.6 | -162.6 | 0 | 0 | 0 | 0 | 123.5 | | |
| 673 | N | 26.8 | Very low | 30.3 | Very low | 140 Ų | 140 | 142.9 Ų | 142.9 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | | | | 177 | 123.1 | 101.4 | -93.3 | -78.1 | 0 | 0 | 0 | 108.8 | | |
| 674 | Q | 31.3 | Very low | 30.6 | Very low | 157 Ų | 157 | 144.6 Ų | 144.6 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | | | cis | 88.4 | 111.8 | 44.3 | -78.1 | -142.7 | 36.1 | 0 | 0 | 116.9 | | |
| 675 | K | 31.2 | Very low | 30.9 | Very low | 195 Ų | 195 | 145.9 Ų | 145.9 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | | | trans | 147.3 | 150.2 | 141.9 | -85.9 | 169.7 | -178.1 | 174.2 | 0 | 110.7 | | |
| 676 | V | 35.3 | Very low | 31.1 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | cis | -167.2 | 137.8 | -19.1 | 120.7 | 0 | 0 | 0 | 0 | 104.6 | | |
| 677 | K | 35.1 | Very low | 31.4 | Very low | 198 Ų | 198 | 144.6 Ų | 144.6 | 86% | 0.861 | 74% | 0.744 | S | S | * | * | | | | -179.3 | 133.5 | 74.4 | -140.3 | 153.9 | -172.8 | 175.6 | 0 | 105.3 | | |
| 678 | G | 32.8 | Very low | 31.7 | Very low | 76 Ų | 76 | 146.9 Ų | 146.9 | 78% | 0.784 | 75% | 0.749 | S | S | * | * | | | | 81.6 | 142.2 | 89.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 679 | Q | 36.1 | Very low | 31.8 | Very low | 172 Ų | 172 | 148.1 Ų | 148.1 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | cis | -168.3 | 163 | -7 | -160.3 | -172.1 | -9.4 | 0 | 0 | 110.7 | | |
| 680 | K | 34 | Very low | 32 | Very low | 188 Ų | 188 | 146.7 Ų | 146.7 | 82% | 0.817 | 75% | 0.752 | S | S | * | * | | | trans | 85 | 144.1 | 161 | -81.3 | 169.3 | -179.5 | 174.5 | 0 | 119.8 | | |
| 681 | R | 34 | Very low | 32.3 | Very low | 246 Ų | 246 | 149.4 Ų | 149.4 | 93% | 0.928 | 76% | 0.756 | S | S | * | * | | | trans | -82.9 | 162.1 | 176.7 | -50 | 160.9 | 172.7 | 165 | -6.6 | 110.2 | | |
| 682 | T | 30.8 | Very low | 32.5 | Very low | 143 Ų | 143 | 151 Ų | 151 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | | | | -164.2 | 172.4 | 115 | -164 | 0 | 0 | 0 | 0 | 111.6 | | |
| 683 | N | 28.8 | Very low | 32.8 | Very low | 141 Ų | 141 | 151.5 Ų | 151.5 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | | | trans | -121.1 | -176.9 | -178.3 | -155.5 | -40.3 | 0 | 0 | 0 | 108.6 | | |
| 684 | Q | 30.1 | Very low | 33.3 | Very low | 171 Ų | 171 | 151.3 Ų | 151.3 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | | | trans | 69.4 | 156.3 | 168.7 | -68 | -169.7 | -0.2 | 0 | 0 | 118.1 | | |
| 685 | K | 33.6 | Very low | 33.9 | Very low | 139 Ų | 139 | 153.4 Ų | 153.4 | 60% | 0.604 | 79% | 0.789 | S | S | * | * | | | cis | -174.9 | 160.3 | -24.6 | -174.6 | 178.4 | 173.8 | -124.8 | 0 | 108.2 | | |
| 686 | E | 32.3 | Very low | 34.2 | Very low | 150 Ų | 150 | 155.2 Ų | 155.2 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | trans | 69.9 | 154.3 | 156.7 | -97.3 | 150.6 | -175.9 | 0 | 0 | 118.1 | | |
| 687 | S | 32.3 | Very low | 34.3 | Very low | 88 Ų | 88 | 156 Ų | 156 | 62% | 0.615 | 80% | 0.796 | S | S | * | * | | | cis | -154.7 | 162.5 | -0.3 | 61 | 0 | 0 | 0 | 0 | 113.8 | | |
| 688 | T | 33.3 | Very low | 34.5 | Very low | 126 Ų | 126 | 156.7 Ų | 156.7 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | 69.2 | 149.6 | 163.2 | 75.5 | 0 | 0 | 0 | 0 | 118.2 | | |
| 689 | K | 35.3 | Very low | 35.1 | Very low | 195 Ų | 195 | 158.2 Ų | 158.2 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | | | cis | -143.6 | 160.5 | -4.1 | -142.4 | 165.3 | -179.9 | 174 | 0 | 113 | | |
| 690 | S | 32.2 | Very low | 35.1 | Very low | 95 Ų | 95 | 156.5 Ų | 156.5 | 66% | 0.664 | 79% | 0.785 | S | S | * | * | | | trans | -64.2 | 175.2 | 178.8 | 57.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 691 | Q | 36 | Very low | 35.2 | Very low | 177 Ų | 177 | 154.3 Ų | 154.3 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | | | cis | -140.8 | 163.7 | 19.1 | -53.2 | 170.9 | -74.7 | 0 | 0 | 109.1 | | |
| 692 | Q | 35.3 | Very low | 35.4 | Very low | 194 Ų | 194 | 148.5 Ų | 148.5 | 91% | 0.907 | 78% | 0.778 | S | S | * | * | | | | 52 | 139.9 | 51 | -62.1 | -171.5 | 3.8 | 0 | 0 | 114.1 | | |
| 693 | G | 32.9 | Very low | 35.8 | Very low | 70 Ų | 70 | 146.5 Ų | 146.5 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | | | cis | -149 | -153.5 | -5.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 694 | T | 36.6 | Very low | 36.6 | Very low | 137 Ų | 137 | 150.6 Ų | 150.6 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | | | cis | -156.1 | 158.3 | 16.7 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 695 | K | 43.3 | Very low | 37.2 | Very low | 201 Ų | 201 | 147.9 Ų | 147.9 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | | | trans | -84.1 | 144.8 | 172.3 | -57.5 | 173.1 | -178.7 | 175.3 | 0 | 112.5 | | |
| 696 | R | 39 | Very low | 37.4 | Very low | 233 Ų | 233 | 149.4 Ų | 149.4 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | | | trans | -143.7 | 119.9 | 144.6 | -60.9 | -168.5 | -164.7 | -140.7 | 6.4 | 106.1 | | |
| 697 | V | 35.6 | Very low | 37.9 | Very low | 137 Ų | 137 | 148.3 Ų | 148.3 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | | | | 63.2 | 119.4 | 74.1 | -178.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 698 | R | 40.2 | Very low | 38.3 | Very low | 212 Ų | 212 | 150.8 Ų | 150.8 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | | | trans | -71.4 | 155.9 | 177.3 | -90.9 | -167.1 | -179.2 | -163.6 | 1.7 | 112.2 | | |
| 699 | P | 45.6 | Very low | 38.8 | Very low | 108 Ų | 108 | 156.5 Ų | 156.5 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | | | | -107 | 176.5 | 119.1 | 32.4 | -34.6 | 0 | 0 | 0 | 112.2 | | |
| 700 | N | 36.7 | Very low | 39.1 | Very low | 135 Ų | 135 | 156.8 Ų | 156.8 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | | | trans | -124.5 | 101.1 | -177.8 | 173.7 | 60.4 | 0 | 0 | 0 | 108.8 | | |
| 701 | D | 36.3 | Very low | 39.9 | Very low | 143 Ų | 143 | 163.7 Ų | 163.7 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | | | trans | -114.9 | 140.9 | -175.6 | -94.3 | -62.3 | 0 | 0 | 0 | 113.5 | | |
| 702 | C | 36.5 | Very low | 40.2 | Very low | 123 Ų | 123 | 161.4 Ų | 161.4 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | | | trans | -116.7 | 81.7 | -169.4 | -169.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 703 | S | 39.6 | Very low | 40.6 | Very low | 102 Ų | 102 | 164 Ų | 164 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | | | trans | -113.7 | 100.8 | 178.8 | 51.7 | 0 | 0 | 0 | 0 | 112.2 | V705 | S703-V705 PolarHBondContact O-N 3.17Š|
| 704 | R | 46 | Very low | 41.1 | Very low | 226 Ų | 226 | 166.3 Ų | 166.3 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | | | trans | -73.7 | 108.4 | 168.4 | -65.4 | -178.8 | -173 | 172.2 | 5.2 | 109.5 | | |
| 705 | V | 42 | Very low | 41.4 | Very low | 114 Ų | 114 | 168.7 Ų | 168.7 | 69% | 0.691 | 83% | 0.828 | S | S | * | * | | | trans | -120.8 | 88.2 | 169.6 | -167.8 | 0 | 0 | 0 | 0 | 110.1 | S703 T707 | S703-V705 PolarHBondContact O-N 3.17Å; V705-T707 HydrophobicContact CG1-CG2 4.11Å; V705-T707 PolarHBondContact O-N 3.02Å |
| 706 | F | 38.1 | Very low | 41.3 | Very low | 171 Ų | 171 | 167.1 Ų | 167.1 | 75% | 0.75 | 83% | 0.826 | S | S | * | * | | | trans | -78.5 | 94 | 170.8 | -86 | -86.5 | 0 | 0 | 0 | 109.9 | L708 | F706-L708 HydrophobicContact CB-CD1 4.41Å; F706-L708 HydrophobicContact CB-CG 4.38Å; F706-L708 HydrophobicContact CD1-CD1 4.3Å; F706-L708 HydrophobicContact CD1-CG 4.37Å; F706-L708 PolarHBondContact O-N 3.46Å |
| 707 | T | 43.1 | Very low | 41.5 | Very low | 128 Ų | 128 | 163.6 Ų | 163.6 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | | | trans | -75.2 | 55.1 | 171.3 | 47.4 | 0 | 0 | 0 | 0 | 112.3 | V705 R709 | V705-T707 HydrophobicContact CG1-CG2 4.11Å; V705-T707 PolarHBondContact O-N 3.02Å; T707-R709 PolarHBondContact O-N 3.13Å |
| 708 | L | 39.8 | Very low | 41.8 | Very low | 140 Ų | 140 | 165.1 Ų | 165.1 | 73% | 0.733 | 82% | 0.823 | S | S | * | * | | | trans | -69.3 | 93.4 | 173.6 | -76.5 | 170.1 | 0 | 0 | 0 | 110.1 | F706 K710 | F706-L708 HydrophobicContact CB-CD1 4.41Å; F706-L708 HydrophobicContact CB-CG 4.38Å; F706-L708 HydrophobicContact CD1-CD1 4.3Å; F706-L708 HydrophobicContact CD1-CG 4.37Å; F706-L708 PolarHBondContact O-N 3.46Å; L708-K710 VanDerWaalsContact C-N 3.31Å; L708-K710 PolarHBondContact O-N 3.16Å |
| 709 | R | 43.6 | Very low | 41.9 | Very low | 245 Ų | 245 | 162.4 Ų | 162.4 | 93% | 0.925 | 82% | 0.824 | S | S | * | * | | | trans | -60.7 | 92.6 | 163.5 | -88 | -176.3 | 169.7 | 162 | -2.9 | 109.5 | T707 R711 | T707-R709 PolarHBondContact O-N 3.13Å; R709-R711 PolarHBondContact O-N 3.47Å |
| 710 | K | 43.4 | Very low | 41.7 | Very low | 202 Ų | 202 | 165.8 Ų | 165.8 | 88% | 0.878 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -56 | 121.2 | 159.9 | -73 | -176.7 | 176.2 | -179.3 | 0 | 107.6 | L708 | L708-K710 VanDerWaalsContact C-N 3.31Å; L708-K710 PolarHBondContact O-N 3.16Å |
| 711 | R | 48.3 | Very low | 42 | Very low | 240 Ų | 240 | 167.8 Ų | 167.8 | 91% | 0.906 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 129.7 | 156.6 | -71.3 | -176.6 | 177.3 | 174.4 | -2.2 | 107.1 | R709 | R709-R711 PolarHBondContact O-N 3.47Š|
| 712 | T | 43.2 | Very low | 42.4 | Very low | 129 Ų | 129 | 169.6 Ų | 169.6 | 79% | 0.791 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 141.7 | 165.5 | 28.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 713 | R | 42.5 | Very low | 42.9 | Very low | 247 Ų | 247 | 173.2 Ų | 173.2 | 93% | 0.932 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 141.3 | 150.1 | -82.1 | -174.5 | 171.6 | -172.8 | -3.9 | 107.1 | | |
| 714 | V | 43.4 | Very low | 43.1 | Very low | 119 Ų | 119 | 179.1 Ų | 179.1 | 72% | 0.721 | 86% | 0.857 | S | S | * | * | | | trans | -119.4 | 150.6 | 157.9 | 179.9 | 0 | 0 | 0 | 0 | 105.5 | | |
| 715 | S | 44 | Very low | 42.9 | Very low | 188 Ų | 188 | 174.8 Ų | 174.8 | 100% | 1.315 | 86% | 0.857 | S | S | * | * | | | trans | -27.1 | 0 | -176.4 | 54.9 | 0 | 0 | 0 | 0 | 115.3 | | |