| 1 | M | 54.8 | Low | 55.2 | Low | 196 Ų | 196 | 134.5 Ų | 134.5 | 97% | 0.966 | 66% | 0.657 | S | S | * | * | | | | 0 | -66 | 0 | -66.6 | 176.3 | 179.1 | 0 | 0 | 113.1 | R3 Q4 | M1-R3 VanDerWaalsContact C-N 3.26Å; M1-R3 PolarHBondContact O-N 3.24Å; M1-Q4 PolarHBondContact O-N 3.44Å |
| 2 | S | 52.3 | Low | 55.2 | Low | 95 Ų | 95 | 133.6 Ų | 133.6 | 66% | 0.664 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -51.2 | -29.9 | -165.6 | -36.9 | 0 | 0 | 0 | 0 | 117.5 | I5 | S2-I5 PolarHBondContact O-N 3.46Å |
| 3 | R | 51.3 | Low | 54.7 | Low | 227 Ų | 227 | 131.9 Ų | 131.9 | 86% | 0.857 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -66 | -37 | 176.7 | -66.1 | -172.9 | -177.9 | -133 | 1.2 | 113.5 | M1 I5 Q7 | M1-R3 VanDerWaalsContact C-N 3.26Å; M1-R3 PolarHBondContact O-N 3.24Å; R3-I5 VanDerWaalsContact C-N 3.31Å; R3-I5 PolarHBondContact O-N 2.88Å; R3-Q7 PolarHBondContact O-N 3.12Å |
| 4 | Q | 58 | Low | 54.6 | Low | 136 Ų | 136 | 130.6 Ų | 130.6 | 64% | 0.636 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.9 | -29.6 | 178.8 | -72.1 | 164.8 | -46.2 | 0 | 0 | 112.2 | M1 Q7 K8 | M1-Q4 PolarHBondContact O-N 3.44Å; Q4-Q7 PolarHBondContact O-N 2.8Å; Q4-K8 PolarHBondContact O-N 3.02Å; Q4-K8 VanDerWaalsContact O-N 3.12Å |
| 5 | I | 58.8 | Low | 54.5 | Low | 95 Ų | 95 | 136.3 Ų | 136.3 | 49% | 0.487 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -69 | -41.2 | -179.5 | -58 | 176.6 | 0 | 0 | 0 | 110.8 | S2 R3 Q7 R9 | S2-I5 PolarHBondContact O-N 3.46Å; R3-I5 VanDerWaalsContact C-N 3.31Å; R3-I5 PolarHBondContact O-N 2.88Å; I5-Q7 VanDerWaalsContact C-N 3.33Å; I5-Q7 PolarHBondContact O-N 3.29Å; I5-R9 WeakPolarHBondContact O-CG 3.18Å; I5-R9 PolarHBondContact O-N 3.44Å |
| 6 | S | 56.8 | Low | 54.5 | Low | 84 Ų | 84 | 139.3 Ų | 139.3 | 59% | 0.587 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -63.6 | -38.2 | 174.7 | -62.2 | 0 | 0 | 0 | 0 | 112.5 | R9 S10 | S6-R9 PolarHBondContact O-N 3.21Å; S6-S10 PolarHBondContact O-N 3.25Å |
| 7 | Q | 56.6 | Low | 54.4 | Low | 133 Ų | 133 | 140.1 Ų | 140.1 | 62% | 0.621 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -73.5 | -33.5 | -176.4 | -150.7 | 167.4 | 3.4 | 0 | 0 | 112.6 | R3 Q4 I5 R9 S10 N11 | R3-Q7 PolarHBondContact O-N 3.12Å; Q4-Q7 PolarHBondContact O-N 2.8Å; I5-Q7 VanDerWaalsContact C-N 3.33Å; I5-Q7 PolarHBondContact O-N 3.29Å; Q7-R9 VanDerWaalsContact C-N 3.32Å; Q7-S10 PolarHBondContact O-OG 3.16Å; Q7-N11 PolarHBondContact O-OD1 2.85Å |
| 8 | K | 56.6 | Low | 54.2 | Low | 173 Ų | 173 | 141.2 Ų | 141.2 | 75% | 0.752 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -65 | -34.9 | 167.5 | -77.2 | -167.2 | 171.9 | -171.2 | 0 | 112.3 | Q4 Q12 | Q4-K8 PolarHBondContact O-N 3.02Å; Q4-K8 VanDerWaalsContact O-N 3.12Å; K8-Q12 PolarHBondContact O-N 3.23Å |
| 9 | R | 55.3 | Low | 53.9 | Low | 173 Ų | 173 | 138.3 Ų | 138.3 | 65% | 0.653 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -74.9 | -33 | -179.1 | -74.5 | -179.2 | 174.7 | -174.4 | -1.7 | 114.5 | I5 S6 Q7 N13 | I5-R9 WeakPolarHBondContact O-CG 3.18Å; I5-R9 PolarHBondContact O-N 3.44Å; S6-R9 PolarHBondContact O-N 3.21Å; Q7-R9 VanDerWaalsContact C-N 3.32Å; R9-N13 PolarHBondContact O-N 3.21Å |
| 10 | S | 52.1 | Low | 53.3 | Low | 61 Ų | 61 | 140.4 Ų | 140.4 | 43% | 0.427 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -62.9 | -45.8 | 174.2 | 51.3 | 0 | 0 | 0 | 0 | 111.8 | S6 Q7 Q12 N13 L14 | S6-S10 PolarHBondContact O-N 3.25Å; Q7-S10 PolarHBondContact O-OG 3.16Å; S10-Q12 VanDerWaalsContact C-N 3.32Å; S10-Q12 PolarHBondContact O-N 3.5Å; S10-N13 PolarHBondContact O-N 2.8Å; S10-L14 PolarHBondContact O-N 2.9Å; S10-L14 VanDerWaalsContact O-N 3.07Å |
| 11 | N | 54.2 | Low | 53 | Low | 107 Ų | 107 | 142 Ų | 142 | 57% | 0.572 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -70 | -32 | -174.9 | -62 | 14.1 | 0 | 0 | 0 | 111.5 | Q7 N13 L14 R15 | Q7-N11 PolarHBondContact O-OD1 2.85Å; N11-N13 VanDerWaalsContact C-N 3.34Å; N11-L14 PolarHBondContact O-N 3.1Å; N11-R15 PolarHBondContact O-N 3.26Å; N11-R15 VanDerWaalsContact O-N 3.12Å |
| 12 | Q | 56 | Low | 52.4 | Low | 123 Ų | 123 | 138.4 Ų | 138.4 | 58% | 0.575 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -70.2 | -27 | 175.5 | -160.3 | 175.5 | 25.5 | 0 | 0 | 113.2 | K8 S10 | K8-Q12 PolarHBondContact O-N 3.23Å; S10-Q12 VanDerWaalsContact C-N 3.32Å; S10-Q12 PolarHBondContact O-N 3.5Å |
| 13 | N | 48.7 | Very low | 52.2 | Low | 112 Ų | 112 | 140.6 Ų | 140.6 | 60% | 0.599 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -80.1 | -39.5 | 172 | -82.2 | -6.8 | 0 | 0 | 0 | 112.2 | R9 S10 N11 R15 R16 Q17 | R9-N13 PolarHBondContact O-N 3.21Å; S10-N13 PolarHBondContact O-N 2.8Å; N11-N13 VanDerWaalsContact C-N 3.34Å; N13-R15 VanDerWaalsContact C-N 3.31Å; N13-R15 PolarHBondContact O-N 3.35Å; N13-R16 PolarHBondContact O-N 3.41Å; N13-Q17 PolarHBondContact O-N 3.25Å |
| 14 | L | 53.7 | Low | 51.8 | Low | 114 Ų | 114 | 135.9 Ų | 135.9 | 60% | 0.597 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -59.1 | -44 | 176 | -132.5 | 73.3 | 0 | 0 | 0 | 111.1 | S10 N11 R16 Q17 H18 | S10-L14 PolarHBondContact O-N 2.9Å; S10-L14 VanDerWaalsContact O-N 3.07Å; N11-L14 PolarHBondContact O-N 3.1Å; L14-R16 PolarHBondContact O-N 2.88Å; L14-R16 VanDerWaalsContact O-N 3.14Å; L14-Q17 PolarHBondContact O-N 3.47Å; L14-H18 PolarHBondContact O-CD2 3.39Å |
| 15 | R | 52.7 | Low | 51 | Low | 216 Ų | 216 | 136.5 Ų | 136.5 | 82% | 0.815 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -66.1 | -12.2 | 176.8 | -156 | 175.3 | -175.4 | -164.6 | 0.6 | 114.2 | N11 N13 | N11-R15 PolarHBondContact O-N 3.26Å; N11-R15 VanDerWaalsContact O-N 3.12Å; N13-R15 VanDerWaalsContact C-N 3.31Å; N13-R15 PolarHBondContact O-N 3.35Å |
| 16 | R | 54.2 | Low | 50.2 | Low | 183 Ų | 183 | 139.9 Ų | 139.9 | 69% | 0.691 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -94.4 | -10.7 | 171.9 | -74.2 | 179.8 | 178.5 | -105.7 | 0.6 | 113.8 | N13 L14 | N13-R16 PolarHBondContact O-N 3.41Å; L14-R16 PolarHBondContact O-N 2.88Å; L14-R16 VanDerWaalsContact O-N 3.14Å |
| 17 | Q | 53.5 | Low | 49.2 | Very low | 153 Ų | 153 | 143.3 Ų | 143.3 | 72% | 0.715 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -93.2 | -20.8 | 177.9 | -67.2 | -77.7 | -100.3 | 0 | 0 | 112.8 | N13 L14 | N13-Q17 PolarHBondContact O-N 3.25Å; L14-Q17 PolarHBondContact O-N 3.47Å |
| 18 | H | 51 | Low | 48.6 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 74% | 0.741 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -103.6 | 35.7 | 175.9 | -57.2 | -69.2 | 0 | 0 | 0 | 112.2 | L14 | L14-H18 PolarHBondContact O-CD2 3.39Š|
| 19 | S | 46.7 | Very low | 47.7 | Very low | 86 Ų | 86 | 144.5 Ų | 144.5 | 60% | 0.601 | 72% | 0.716 | S | S | * | * | | | trans | -141.7 | 40.1 | -175.8 | -174.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 20 | M | 43.6 | Very low | 46.9 | Very low | 181 Ų | 181 | 143 Ų | 143 | 89% | 0.892 | 72% | 0.72 | S | S | * | * | | | trans | -89.7 | 117.5 | 151.7 | -58.3 | -150.6 | -46.9 | 0 | 0 | 106.5 | | |
| 21 | K | 47 | Very low | 46.2 | Very low | 174 Ų | 174 | 148.4 Ų | 148.4 | 76% | 0.757 | 74% | 0.738 | S | S | * | * | | | trans | -72.5 | 146.4 | 168.3 | -69.9 | -178.3 | 173.4 | -174.1 | 0 | 108.6 | D23 | K21-D23 PolarHBondContact O-N 3.18Š|
| 22 | T | 41.4 | Very low | 45.4 | Very low | 121 Ų | 121 | 148 Ų | 148 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | | | trans | -77.6 | 98.9 | 155.8 | 44.5 | 0 | 0 | 0 | 0 | 106.5 | D24 | T22-D24 PolarHBondContact O-N 3.01Š|
| 23 | D | 47.5 | Very low | 44.6 | Very low | 141 Ų | 141 | 147.1 Ų | 147.1 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | | | trans | -86.3 | 102.1 | 167.1 | -62.6 | -34 | 0 | 0 | 0 | 106.1 | K21 | K21-D23 PolarHBondContact O-N 3.18Š|
| 24 | D | 43.3 | Very low | 43.9 | Very low | 127 Ų | 127 | 149.1 Ų | 149.1 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | | | trans | -75.8 | 166.9 | -178.7 | -71.4 | -62.7 | 0 | 0 | 0 | 112.3 | T22 | T22-D24 PolarHBondContact O-N 3.01Š|
| 25 | L | 40.6 | Very low | 43.3 | Very low | 150 Ų | 150 | 152.6 Ų | 152.6 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | trans | 69.3 | 108 | 171.1 | -55.7 | 119.5 | 0 | 0 | 0 | 116.8 | | |
| 26 | D | 43.2 | Very low | 42.4 | Very low | 165 Ų | 165 | 147.5 Ų | 147.5 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | | | | -152.6 | 122.9 | 107.7 | -119.5 | -22.2 | 0 | 0 | 0 | 111.3 | A28 | D26-A28 PolarHBondContact O-N 3.1Š|
| 27 | N | 35.6 | Very low | 41.5 | Very low | 156 Ų | 156 | 144.4 Ų | 144.4 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | trans | -89 | 79.9 | -175.5 | -83.2 | -43.6 | 0 | 0 | 0 | 111.2 | Y29 | N27-Y29 PolarHBondContact O-N 3.16Š|
| 28 | A | 43.9 | Very low | 40.8 | Very low | 99 Ų | 99 | 145.2 Ų | 145.2 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -75 | 122.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D26 | D26-A28 PolarHBondContact O-N 3.1Š|
| 29 | Y | 38.2 | Very low | 40 | Very low | 232 Ų | 232 | 142.3 Ų | 142.3 | 91% | 0.91 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 149.4 | -167.3 | -135.1 | -109.3 | 0 | 0 | 0 | 117.7 | N27 | N27-Y29 PolarHBondContact O-N 3.16Š|
| 30 | I | 38.2 | Very low | 39.8 | Very low | 142 Ų | 142 | 144 Ų | 144 | 73% | 0.728 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 135 | 171.8 | -60.1 | 160.3 | 0 | 0 | 0 | 109.8 | | |
| 31 | E | 38.1 | Very low | 39.6 | Very low | 175 Ų | 175 | 144 Ų | 144 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -142.1 | 133.3 | 147.7 | -163.5 | 161.5 | -129.1 | 0 | 0 | 110.3 | | |
| 32 | S | 37 | Very low | 39.3 | Very low | 99 Ų | 99 | 146.2 Ų | 146.2 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | | | trans | -131.5 | 94 | -175.2 | -60.2 | 0 | 0 | 0 | 0 | 109.4 | D34 | S32-D34 PolarHBondContact O-N 3.03Å; S32-D34 VanDerWaalsContact O-N 3.16Å |
| 33 | C | 37.5 | Very low | 39.3 | Very low | 103 Ų | 103 | 149.4 Ų | 149.4 | 70% | 0.696 | 80% | 0.795 | S | S | * | * | | | trans | -90 | 67.5 | -171.5 | -73.5 | 0 | 0 | 0 | 0 | 113.6 | F35 | C33-F35 PolarHBondContact O-N 3.34Š|
| 34 | D | 34.5 | Very low | 38.9 | Very low | 155 Ų | 155 | 151 Ų | 151 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | | | trans | -85.2 | 94.4 | 157.3 | -85.3 | -43.7 | 0 | 0 | 0 | 109.2 | S32 | S32-D34 PolarHBondContact O-N 3.03Å; S32-D34 VanDerWaalsContact O-N 3.16Å |
| 35 | F | 40.6 | Very low | 38.7 | Very low | 186 Ų | 186 | 151.1 Ų | 151.1 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | | | trans | -133 | 99.6 | 175.6 | -103.2 | -80.8 | 0 | 0 | 0 | 115 | C33 | C33-F35 PolarHBondContact O-N 3.34Š|
| 36 | C | 35 | Very low | 38.6 | Very low | 110 Ų | 110 | 149.7 Ų | 149.7 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | | | trans | 47.2 | 119.4 | 135.2 | -61.4 | 0 | 0 | 0 | 0 | 120.4 | | |
| 37 | S | 35.4 | Very low | 38.3 | Very low | 117 Ų | 117 | 146.9 Ų | 146.9 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | -49.7 | 144.1 | 160.5 | -43.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 38 | N | 39.1 | Very low | 38.3 | Very low | 170 Ų | 170 | 146.5 Ų | 146.5 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | | | trans | -113 | 129.4 | 155.6 | -102.4 | -40 | 0 | 0 | 0 | 110.2 | | |
| 39 | S | 34 | Very low | 38.6 | Very low | 99 Ų | 99 | 147.1 Ų | 147.1 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | | | trans | -140.5 | 177.8 | 170.9 | 70.1 | 0 | 0 | 0 | 0 | 107.6 | | |
| 40 | V | 41.6 | Very low | 38.9 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | | | trans | 78 | 135 | -159.6 | -170.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 41 | Q | 39.8 | Very low | 38.9 | Very low | 181 Ų | 181 | 142.8 Ų | 142.8 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | cis | -130.1 | 166.5 | 31 | -154.6 | 144.9 | -26.6 | 0 | 0 | 115.5 | | |
| 42 | R | 40.5 | Very low | 39 | Very low | 220 Ų | 220 | 142.5 Ų | 142.5 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | | | trans | -113.2 | 153.1 | 179.4 | -45.5 | 169.6 | -165.4 | -135.8 | 0 | 108.7 | | |
| 43 | Q | 42.5 | Very low | 39.1 | Very low | 188 Ų | 188 | 144.3 Ų | 144.3 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | | | | -179 | 171.2 | 120.4 | -97.9 | 167.9 | 4.5 | 0 | 0 | 112.3 | | |
| 44 | H | 37.8 | Very low | 39.3 | Very low | 175 Ų | 175 | 147.6 Ų | 147.6 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | trans | -105.6 | -173.3 | -172.5 | -79.2 | -115.6 | 0 | 0 | 0 | 111.8 | | |
| 45 | T | 39.2 | Very low | 39.6 | Very low | 129 Ų | 129 | 144.1 Ų | 144.1 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | trans | 79.6 | 153.9 | 167.8 | 72.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 46 | T | 38.3 | Very low | 39.5 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | | | cis | 167.5 | 145 | -49.8 | 34.2 | 0 | 0 | 0 | 0 | 107 | | |
| 47 | S | 37.6 | Very low | 40 | Very low | 107 Ų | 107 | 147.1 Ų | 147.1 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | | | trans | 72.6 | 149.3 | 176.2 | 90.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 48 | N | 35.9 | Very low | 40.4 | Very low | 147 Ų | 147 | 147 Ų | 147 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | | | cis | -150.5 | 163.2 | 1.9 | -92.1 | -40.6 | 0 | 0 | 0 | 111 | | |
| 49 | P | 50.1 | Low | 40.5 | Very low | 113 Ų | 113 | 147.9 Ų | 147.9 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | | | trans | -93.2 | 172.1 | 163.1 | 38.9 | -34.3 | 0 | 0 | 0 | 112.8 | | |
| 50 | P | 45 | Very low | 40.8 | Very low | 131 Ų | 131 | 148 Ų | 148 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | | | | -149 | -175.8 | 108.5 | 40.2 | -23.7 | 0 | 0 | 0 | 115.9 | | |
| 51 | N | 37.4 | Very low | 40.9 | Very low | 152 Ų | 152 | 147.3 Ų | 147.3 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | | | trans | -71.9 | 162.4 | 174.6 | -65.4 | -46.7 | 0 | 0 | 0 | 113.5 | | |
| 52 | E | 39.4 | Very low | 41 | Very low | 168 Ų | 168 | 147 Ų | 147 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | | -173 | 125.2 | 108.1 | -102.2 | 179 | -150.6 | 0 | 0 | 115.6 | | |
| 53 | M | 39.9 | Very low | 41 | Very low | 138 Ų | 138 | 146.1 Ų | 146.1 | 68% | 0.68 | 75% | 0.754 | S | S | * | * | | | trans | 55.2 | 155.6 | 142.7 | -66.7 | -166.2 | -76 | 0 | 0 | 124.8 | | |
| 54 | Q | 40.7 | Very low | 40.9 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | | | trans | 75.9 | 133.2 | 163.8 | -66 | 148.4 | 52.6 | 0 | 0 | 117.6 | | |
| 55 | S | 40.8 | Very low | 41.1 | Very low | 82 Ų | 82 | 144 Ų | 144 | 57% | 0.573 | 75% | 0.745 | S | S | * | * | | | cis | -169.1 | 147.3 | -8.8 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 56 | Y | 40.3 | Very low | 40.9 | Very low | 215 Ų | 215 | 145 Ų | 145 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | | | trans | 65.1 | 152.5 | 163.1 | -52.9 | -54.3 | 0 | 0 | 0 | 116.3 | | |
| 57 | L | 45 | Very low | 41.1 | Very low | 144 Ų | 144 | 148.7 Ų | 148.7 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | | | cis | -163.6 | 148.4 | -3.5 | -137.8 | 88.9 | 0 | 0 | 0 | 105.8 | | |
| 58 | D | 42.6 | Very low | 41.1 | Very low | 115 Ų | 115 | 151.7 Ų | 151.7 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | | | cis | -162.2 | -178.3 | -16.4 | -134.7 | -28.4 | 0 | 0 | 0 | 114.3 | | |
| 59 | Y | 41.6 | Very low | 41.2 | Very low | 188 Ų | 188 | 151.7 Ų | 151.7 | 74% | 0.737 | 76% | 0.759 | S | S | * | * | | | trans | 24.5 | 132.6 | 159.5 | -71.4 | -68.4 | 0 | 0 | 0 | 125.6 | | |
| 60 | S | 40.6 | Very low | 40.6 | Very low | 101 Ų | 101 | 152.3 Ų | 152.3 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | trans | 57.1 | 104.4 | 136 | -59.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 61 | T | 42.9 | Very low | 40.4 | Very low | 109 Ų | 109 | 156.8 Ų | 156.8 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | | | cis | 70.8 | 110.7 | 19.8 | -60.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 62 | K | 43.4 | Very low | 40.3 | Very low | 173 Ų | 173 | 154.7 Ų | 154.7 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | | | trans | 68.2 | 135.3 | 162.6 | -63.9 | 162 | -166.9 | 165.8 | 0 | 115.6 | | |
| 63 | R | 40.4 | Very low | 40.3 | Very low | 203 Ų | 203 | 152.1 Ų | 152.1 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | | | | -167.5 | 154 | 50.4 | -99.4 | 114.1 | -172 | -73.6 | 9.3 | 112.1 | | |
| 64 | Y | 40.5 | Very low | 40.3 | Very low | 202 Ų | 202 | 151.3 Ų | 151.3 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | | | | 44.7 | 154.8 | 129.6 | -69.7 | -123.2 | 0 | 0 | 0 | 121.7 | | |
| 65 | T | 42.2 | Very low | 40.3 | Very low | 115 Ų | 115 | 147 Ų | 147 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | cis | -166.5 | 163.3 | -21 | 25.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 66 | N | 35 | Very low | 40.3 | Very low | 152 Ų | 152 | 152.9 Ų | 152.9 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | | | trans | -17.3 | 134.3 | 161.9 | -55.9 | -23.2 | 0 | 0 | 0 | 117.7 | | |
| 67 | Q | 42.6 | Very low | 40.3 | Very low | 196 Ų | 196 | 148 Ų | 148 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | | | | -142.5 | 152.2 | 127.4 | -75.8 | -151.4 | 10.7 | 0 | 0 | 111.4 | | |
| 68 | M | 36.7 | Very low | 40.1 | Very low | 170 Ų | 170 | 147.6 Ų | 147.6 | 84% | 0.837 | 79% | 0.785 | S | S | * | * | | | trans | -77.1 | 156.2 | 177.8 | -61.5 | 159.7 | 160.1 | 0 | 0 | 111.5 | | |
| 69 | N | 38.3 | Very low | 39.7 | Very low | 148 Ų | 148 | 147.2 Ų | 147.2 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | | -171.4 | 147.2 | 110.8 | -96.6 | -29.1 | 0 | 0 | 0 | 112.9 | | |
| 70 | T | 37.4 | Very low | 40 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | | | trans | -106.1 | 124.9 | 180 | -53.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 71 | Y | 40.3 | Very low | 39.7 | Very low | 225 Ų | 225 | 146.2 Ų | 146.2 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | | | trans | -138 | 131.5 | 165.6 | -89.7 | -78.5 | 0 | 0 | 0 | 111.7 | | |
| 72 | S | 35.9 | Very low | 39.6 | Very low | 108 Ų | 108 | 147.7 Ų | 147.7 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | trans | -110.8 | 133.8 | 177.8 | -54.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 73 | S | 39.5 | Very low | 39.3 | Very low | 114 Ų | 114 | 145.9 Ų | 145.9 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | | | trans | -179.1 | 124 | 141.8 | 52.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 74 | S | 39.9 | Very low | 39.2 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | 10.4 | 128.6 | 145.8 | 57.8 | 0 | 0 | 0 | 0 | 121.8 | | |
| 75 | G | 39.7 | Very low | 39.1 | Very low | 80 Ų | 80 | 139.4 Ų | 139.4 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | trans | -157 | 66.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 76 | K | 40.7 | Very low | 39 | Very low | 207 Ų | 207 | 141 Ų | 141 | 90% | 0.9 | 79% | 0.793 | S | S | * | * | | | trans | -9.2 | 120.9 | 161 | -54.3 | 163.2 | -178.6 | 174.1 | 0 | 120.6 | | |
| 77 | S | 40.8 | Very low | 39.1 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | 171.3 | 110 | 135.6 | 55.7 | 0 | 0 | 0 | 0 | 112 | | |
| 78 | V | 40.9 | Very low | 39 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | | | | 78.2 | 96 | 87.5 | 175.1 | 0 | 0 | 0 | 0 | 115.9 | | |
| 79 | S | 34.6 | Very low | 39 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | | | | 26.2 | 163.2 | 118.3 | -63.5 | 0 | 0 | 0 | 0 | 122.9 | | |
| 80 | P | 47.2 | Very low | 39.1 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | | | cis | -146 | -171.2 | -26.5 | 36.5 | -14.6 | 0 | 0 | 0 | 115.8 | | |
| 81 | H | 35.1 | Very low | 39.1 | Very low | 164 Ų | 164 | 133.2 Ų | 133.2 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | | | trans | 65.1 | 111.4 | 138.7 | -98 | -64.2 | 0 | 0 | 0 | 123 | | |
| 82 | L | 39.6 | Very low | 39.3 | Very low | 140 Ų | 140 | 125.8 Ų | 125.8 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | | | | 147.9 | 145.3 | 114.8 | -82 | 165 | 0 | 0 | 0 | 115.1 | | |
| 83 | L | 39 | Very low | 39.4 | Very low | 135 Ų | 135 | 129 Ų | 129 | 71% | 0.707 | 78% | 0.777 | S | S | * | * | | | trans | 40.9 | 121.6 | 148.3 | -63.3 | 164.4 | 0 | 0 | 0 | 118.7 | | |
| 84 | N | 38.4 | Very low | 39 | Very low | 153 Ų | 153 | 129.8 Ų | 129.8 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | | -155.4 | 157.9 | 57.6 | -107.9 | -32.3 | 0 | 0 | 0 | 116.1 | | |
| 85 | V | 38.2 | Very low | 38.9 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 70% | 0.703 | 77% | 0.774 | S | S | * | * | | | trans | -70.9 | 143.8 | 177.1 | 172 | 0 | 0 | 0 | 0 | 112.2 | | |
| 86 | L | 39.5 | Very low | 38.7 | Very low | 149 Ų | 149 | 133.3 Ų | 133.3 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | | | | -172.3 | 117.7 | 128 | -100.6 | 165.7 | 0 | 0 | 0 | 114.8 | | |
| 87 | N | 36.7 | Very low | 38.6 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | 56.8 | 122.3 | 153.7 | -64.6 | -7.8 | 0 | 0 | 0 | 122.6 | | |
| 88 | P | 41.1 | Very low | 38.6 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | | | trans | -92.4 | 165.8 | 162 | 38.6 | -33.7 | 0 | 0 | 0 | 112.8 | | |
| 89 | S | 36.2 | Very low | 38.2 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | -144.2 | 132.4 | 157.2 | -89.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 90 | P | 39.5 | Very low | 38.2 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | -93.2 | 151.3 | -172 | 35.6 | -35 | 0 | 0 | 0 | 113.8 | | |
| 91 | S | 38.9 | Very low | 38.1 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | | | trans | -135.9 | 81.5 | 161.7 | -162.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 92 | A | 43.1 | Very low | 38.1 | Very low | 70 Ų | 70 | 133 Ų | 133 | 58% | 0.579 | 79% | 0.785 | S | S | * | * | | | trans | 2.9 | 114.7 | 153.9 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 93 | H | 39.4 | Very low | 38.2 | Very low | 175 Ų | 175 | 132.3 Ų | 132.3 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | trans | 66.2 | 71.1 | 131.4 | -47.9 | -46.7 | 0 | 0 | 0 | 120.2 | | |
| 94 | S | 30.1 | Very low | 38.5 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | | | | -90.1 | 113.9 | 126.6 | 53.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 95 | S | 37.7 | Very low | 38.6 | Very low | 95 Ų | 95 | 132.5 Ų | 132.5 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | | | trans | -141.2 | 120.6 | -177.1 | -168.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 96 | L | 35.2 | Very low | 38.8 | Very low | 179 Ų | 179 | 132.7 Ų | 132.7 | 94% | 0.937 | 79% | 0.788 | S | S | * | * | | | trans | -76.4 | 128.7 | 173.5 | -69.6 | 157.9 | 0 | 0 | 0 | 109.4 | | |
| 97 | V | 38.8 | Very low | 39 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | | | trans | -109 | 123 | 165.3 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 98 | A | 40.8 | Very low | 39.3 | Very low | 93 Ų | 93 | 132.1 Ų | 132.1 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | -83 | 160.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 99 | V | 32.6 | Very low | 39.3 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 87% | 0.873 | 78% | 0.777 | S | S | * | * | | | trans | -71.3 | 138.9 | -176.1 | -179.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 100 | S | 35.8 | Very low | 39.5 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | | | trans | -137.4 | 96.1 | 157.2 | -158 | 0 | 0 | 0 | 0 | 114.1 | | |
| 101 | R | 44.6 | Very low | 39.5 | Very low | 219 Ų | 219 | 138.5 Ų | 138.5 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | | | trans | 54.2 | 101.8 | 136.5 | -58.2 | 179.3 | -172.6 | -177.1 | 2.5 | 120.4 | | |
| 102 | V | 36 | Very low | 39.6 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | | | | 57.3 | 113 | 120 | 178.9 | 0 | 0 | 0 | 0 | 119 | Q104 | V102-Q104 HydrophobicContact CG1-CG 4.35Š|
| 103 | S | 41 | Very low | 39.1 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | | | trans | -132.1 | 127.8 | 132 | -178.2 | 0 | 0 | 0 | 0 | 107.2 | | |
| 104 | Q | 44.1 | Very low | 38.9 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | | | trans | -114.1 | 123.1 | -173.6 | -84.7 | -174.1 | -1.3 | 0 | 0 | 112.1 | V102 | V102-Q104 HydrophobicContact CG1-CG 4.35Š|
| 105 | Q | 40.7 | Very low | 39.2 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | | | trans | 65.4 | 175.4 | 153.1 | -58.7 | -154.8 | -42.6 | 0 | 0 | 114.9 | S107 | Q105-S107 PolarHBondContact NE2-OG 2.71Š|
| 106 | P | 43.3 | Very low | 39.3 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | | | cis | -72.9 | 147.1 | 21.1 | -18.7 | 33.8 | 0 | 0 | 0 | 115.7 | | |
| 107 | S | 44.6 | Very low | 39.2 | Very low | 65 Ų | 65 | 138.5 Ų | 138.5 | 46% | 0.455 | 79% | 0.786 | S | S | . | * | | | trans | -106.3 | 124.4 | 155.8 | 55.9 | 0 | 0 | 0 | 0 | 108.4 | Q105 E109 | Q105-S107 PolarHBondContact NE2-OG 2.71Å; S107-E109 PolarHBondContact O-N 3.08Å; S107-E109 VanDerWaalsContact O-N 3.15Å |
| 108 | F | 41.4 | Very low | 39.2 | Very low | 207 Ų | 207 | 137.5 Ų | 137.5 | 91% | 0.908 | 78% | 0.781 | S | S | * | * | | | trans | -12.3 | 99.2 | 177.7 | -65.3 | -92.5 | 0 | 0 | 0 | 116.6 | S110 | F108-S110 PolarHBondContact O-N 3.42Š|
| 109 | E | 41.7 | Very low | 38.7 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | -53.9 | 126.4 | 152.6 | -86.7 | 68.6 | -153 | 0 | 0 | 109.5 | S107 Y111 | S107-E109 PolarHBondContact O-N 3.08Å; S107-E109 VanDerWaalsContact O-N 3.15Å; E109-Y111 PolarHBondContact O-N 2.77Å |
| 110 | S | 40 | Very low | 39.1 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | trans | -72.4 | 110.9 | 174.9 | -54.5 | 0 | 0 | 0 | 0 | 108.9 | F108 D112 | F108-S110 PolarHBondContact O-N 3.42Å; S110-D112 PolarHBondContact O-N 3.44Å |
| 111 | Y | 39.4 | Very low | 39.1 | Very low | 232 Ų | 232 | 143.9 Ų | 143.9 | 91% | 0.91 | 78% | 0.783 | S | S | * | * | | | trans | -71.7 | 125.5 | 168.9 | -104 | -89 | 0 | 0 | 0 | 110 | E109 | E109-Y111 PolarHBondContact O-N 2.77Š|
| 112 | D | 41.1 | Very low | 38.5 | Very low | 150 Ų | 150 | 138.7 Ų | 138.7 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | | | trans | -76.6 | 165.5 | -164.3 | -159.8 | 6.1 | 0 | 0 | 0 | 113.7 | S110 S114 | S110-D112 PolarHBondContact O-N 3.44Å; D112-S114 PolarHBondContact O-N 3.49Å |
| 113 | S | 33.9 | Very low | 38.4 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -83.9 | 97.3 | -169 | -57.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 114 | S | 33.9 | Very low | 38.2 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | | | trans | -169.2 | 83.2 | 151.9 | 60.6 | 0 | 0 | 0 | 0 | 115.1 | D112 | D112-S114 PolarHBondContact O-N 3.49Š|
| 115 | M | 37.2 | Very low | 37.8 | Very low | 192 Ų | 192 | 139 Ų | 139 | 95% | 0.946 | 78% | 0.78 | S | S | * | * | | | trans | -134.5 | 101.9 | 148.8 | -77.9 | -154.8 | 76.3 | 0 | 0 | 110 | | |
| 116 | S | 39.9 | Very low | 37.6 | Very low | 117 Ų | 117 | 137 Ų | 137 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | -65.8 | 158.7 | 179.1 | -57.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 117 | A | 33.3 | Very low | 37.1 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | | | trans | -59.5 | 144.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 118 | T | 37.6 | Very low | 36.7 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | | | trans | -155.5 | 128.9 | 134.4 | 14.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 119 | S | 31.8 | Very low | 36.2 | Very low | 101 Ų | 101 | 138.4 Ų | 138.4 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | 30.7 | 102.7 | 139 | -50.1 | 0 | 0 | 0 | 0 | 120.3 | | |
| 120 | W | 39.5 | Very low | 35.8 | Very low | 248 Ų | 248 | 136.8 Ų | 136.8 | 94% | 0.939 | 78% | 0.783 | S | S | * | * | | | trans | -124.1 | 55.2 | 155.1 | -81.4 | 77 | 0 | 0 | 0 | 111.6 | S122 | W120-S122 PolarHBondContact O-N 3.14Š|
| 121 | T | 35.9 | Very low | 35.4 | Very low | 128 Ų | 128 | 137 Ų | 137 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | -85.9 | 90.2 | 165 | 49.1 | 0 | 0 | 0 | 0 | 109.3 | S123 | T121-S123 PolarHBondContact O-N 3.35Å; T121-S123 VanDerWaalsContact O-N 3.09Å |
| 122 | S | 32.5 | Very low | 35.2 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | -71.8 | 100.5 | 177.2 | -171 | 0 | 0 | 0 | 0 | 110.8 | W120 | W120-S122 PolarHBondContact O-N 3.14Š|
| 123 | S | 34.6 | Very low | 34.8 | Very low | 95 Ų | 95 | 133 Ų | 133 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | | | trans | -86 | 116.8 | 176.3 | 53.2 | 0 | 0 | 0 | 0 | 111.2 | T121 D125 | T121-S123 PolarHBondContact O-N 3.35Å; T121-S123 VanDerWaalsContact O-N 3.09Å; S123-D125 PolarHBondContact O-N 3.02Å |
| 124 | N | 35.7 | Very low | 34.6 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | | | trans | -92.5 | 87.4 | 163.3 | -78.1 | -37.1 | 0 | 0 | 0 | 109.3 | | |
| 125 | D | 36 | Very low | 34.5 | Very low | 149 Ų | 149 | 144 Ų | 144 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | | | trans | -109.8 | 140.2 | 163.7 | -82.2 | -38.4 | 0 | 0 | 0 | 109.6 | S123 | S123-D125 PolarHBondContact O-N 3.02Š|
| 126 | P | 36 | Very low | 34.3 | Very low | 102 Ų | 102 | 140 Ų | 140 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | | | trans | -127.9 | 162.3 | 142 | 37.7 | -29.1 | 0 | 0 | 0 | 112.5 | | |
| 127 | D | 33.8 | Very low | 34 | Very low | 131 Ų | 131 | 142 Ų | 142 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | | | trans | 64.9 | 92.7 | 160.7 | -50.1 | -32.5 | 0 | 0 | 0 | 118.8 | | |
| 128 | L | 35.3 | Very low | 33.9 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | | | | 177.1 | 100.9 | 103.2 | -106.2 | 99.6 | 0 | 0 | 0 | 109.2 | | |
| 129 | I | 32 | Very low | 33.7 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 66% | 0.656 | 76% | 0.757 | S | S | * | * | | | | 60.6 | 95.2 | 79.8 | -57.3 | -179.6 | 0 | 0 | 0 | 113.6 | | |
| 130 | T | 31.8 | Very low | 33.8 | Very low | 117 Ų | 117 | 149.5 Ų | 149.5 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | | | trans | 80.5 | 151.8 | 149.2 | 67.5 | 0 | 0 | 0 | 0 | 122.8 | | |
| 131 | N | 32.2 | Very low | 33.6 | Very low | 122 Ų | 122 | 143 Ų | 143 | 65% | 0.652 | 76% | 0.756 | S | S | * | * | | | trans | 78.1 | 76.2 | 152.7 | -60.8 | -33.9 | 0 | 0 | 0 | 120.4 | | |
| 132 | N | 34.2 | Very low | 33.5 | Very low | 172 Ų | 172 | 144.8 Ų | 144.8 | 92% | 0.92 | 76% | 0.76 | S | S | * | * | | | trans | -159.4 | 78.6 | 135.7 | -88 | -46.3 | 0 | 0 | 0 | 106.9 | | |
| 133 | L | 34.2 | Very low | 33.3 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 67% | 0.665 | 76% | 0.76 | S | S | * | * | | | | 67.8 | 88.7 | 62.9 | -151.2 | 82.6 | 0 | 0 | 0 | 113.8 | | |
| 134 | R | 29.3 | Very low | 33.4 | Very low | 203 Ų | 203 | 145.5 Ų | 145.5 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | | | trans | 56.1 | 102.6 | 147.5 | -56.6 | 175.4 | -171.7 | -156.6 | 0.6 | 118 | | |
| 135 | Y | 32.6 | Very low | 33.4 | Very low | 247 Ų | 247 | 145 Ų | 145 | 97% | 0.969 | 76% | 0.759 | S | S | * | * | | | | -114.7 | 136 | 124 | -96.1 | -93 | 0 | 0 | 0 | 108.6 | | |
| 136 | T | 31.2 | Very low | 33.4 | Very low | 107 Ų | 107 | 144.9 Ų | 144.9 | 66% | 0.656 | 75% | 0.754 | S | S | * | * | | | trans | -119.2 | 138 | -172.9 | 48.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 137 | N | 33.5 | Very low | 33.3 | Very low | 161 Ų | 161 | 146.9 Ų | 146.9 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | | | trans | 179.6 | 139.3 | 151.6 | -86.3 | -21.8 | 0 | 0 | 0 | 107.6 | | |
| 138 | D | 32.6 | Very low | 33.3 | Very low | 133 Ų | 133 | 148.1 Ų | 148.1 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | | | cis | -163.3 | 174.9 | -20.2 | -167.9 | 14 | 0 | 0 | 0 | 109.1 | | |
| 139 | L | 33.5 | Very low | 33.2 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 61% | 0.613 | 75% | 0.747 | S | S | * | * | | | trans | 81.4 | 115.1 | 157.2 | -61.4 | -178.5 | 0 | 0 | 0 | 121.6 | | |
| 140 | R | 32.9 | Very low | 33.3 | Very low | 225 Ų | 225 | 146 Ų | 146 | 85% | 0.849 | 75% | 0.749 | S | S | * | * | | | trans | 79.5 | 90.7 | 139.4 | -61.8 | 167.7 | -174.4 | 171.4 | 2.7 | 120.5 | | |
| 141 | S | 34.9 | Very low | 33.4 | Very low | 112 Ų | 112 | 146.7 Ų | 146.7 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | | | | -156.3 | 139.6 | 117 | 55.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 142 | L | 33.8 | Very low | 33.5 | Very low | 164 Ų | 164 | 146.1 Ų | 146.1 | 86% | 0.859 | 75% | 0.748 | S | S | * | * | | | trans | -18.1 | 124.8 | 177 | -54 | 89.5 | 0 | 0 | 0 | 116.7 | | |
| 143 | S | 28.6 | Very low | 33.7 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | | | | 69.7 | 125.6 | 59.9 | -160.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 144 | P | 38.2 | Very low | 33.8 | Very low | 108 Ų | 108 | 144 Ų | 144 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | | | | -145.8 | 171.6 | 66.9 | 41.7 | -24.5 | 0 | 0 | 0 | 118.4 | | |
| 145 | N | 34.1 | Very low | 34.1 | Very low | 146 Ų | 146 | 145 Ų | 145 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | | | trans | 68.5 | 133.4 | 157.1 | -82.1 | -24.8 | 0 | 0 | 0 | 118.4 | | |
| 146 | Q | 37.5 | Very low | 34.3 | Very low | 147 Ų | 147 | 138.1 Ų | 138.1 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | | | cis | -141.2 | 160.9 | -1.2 | -56.4 | -175 | -7.3 | 0 | 0 | 110.8 | | |
| 147 | Q | 34 | Very low | 34.6 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 67% | 0.668 | 74% | 0.742 | S | S | * | * | | | trans | 43.1 | 140 | 140.4 | -69.3 | 175.8 | 7.3 | 0 | 0 | 120.9 | | |
| 148 | F | 32.5 | Very low | 34.4 | Very low | 158 Ų | 158 | 137 Ų | 137 | 69% | 0.693 | 74% | 0.737 | S | S | * | * | | | cis | -163.5 | 152.4 | 8.2 | -112 | -50.1 | 0 | 0 | 0 | 109.3 | | |
| 149 | T | 34.3 | Very low | 34.7 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | | | trans | 62.3 | 147.7 | 153.2 | 57.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 150 | N | 33.3 | Very low | 34.9 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | | | cis | -160.8 | 160.1 | 0.2 | -121.8 | -14.1 | 0 | 0 | 0 | 113.3 | | |
| 151 | I | 34.8 | Very low | 35.3 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 68% | 0.682 | 74% | 0.738 | S | S | * | * | | | trans | 66.9 | 98.7 | 147.8 | -64.6 | 165.5 | 0 | 0 | 0 | 117.1 | | |
| 152 | T | 34.3 | Very low | 35.6 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | | | | 78.1 | 119.8 | 91.6 | -54.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 153 | T | 36.9 | Very low | 35.9 | Very low | 115 Ų | 115 | 132 Ų | 132 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | | | | -166.6 | 122.8 | 91 | -66.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 154 | N | 37.2 | Very low | 36.6 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | | | trans | 35.9 | 148.4 | 143.9 | -49.2 | -24.2 | 0 | 0 | 0 | 120.8 | | |
| 155 | R | 35.5 | Very low | 36.9 | Very low | 224 Ų | 224 | 137 Ų | 137 | 85% | 0.845 | 72% | 0.722 | S | S | * | * | | | cis | -171.1 | 143.1 | 37 | -160 | -176.2 | -165.2 | -172.1 | 3.7 | 112.1 | | |
| 156 | S | 35.7 | Very low | 37.3 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 72% | 0.72 | 73% | 0.725 | S | S | * | * | | | trans | 58.8 | 142.9 | 157.5 | 51.1 | 0 | 0 | 0 | 0 | 119.1 | | |
| 157 | T | 38.7 | Very low | 37.4 | Very low | 136 Ų | 136 | 135.9 Ų | 135.9 | 83% | 0.834 | 73% | 0.725 | S | S | * | * | | | cis | -145 | 151.3 | 18.3 | -38.4 | 0 | 0 | 0 | 0 | 112 | | |
| 158 | S | 29.1 | Very low | 37.7 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | | | trans | -93.1 | -163.1 | 178.8 | -41.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 159 | P | 39.5 | Very low | 38 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | | | cis | -140.1 | 169.6 | -5.7 | 41.8 | -24.1 | 0 | 0 | 0 | 117.5 | | |
| 160 | S | 37.3 | Very low | 38.3 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | | | trans | -170.8 | 110.6 | 153.3 | -162.3 | 0 | 0 | 0 | 0 | 107.8 | | |
| 161 | I | 41.9 | Very low | 38.5 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | | | | 69.2 | 119.2 | 78.7 | -63.6 | 166 | 0 | 0 | 0 | 110.1 | | |
| 162 | Q | 39.6 | Very low | 38.7 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | | | cis | -162.1 | 174.9 | 14.2 | -147 | 167.9 | -21.4 | 0 | 0 | 113.1 | | |
| 163 | E | 41.9 | Very low | 38.8 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 58% | 0.584 | 75% | 0.75 | S | S | * | * | | | trans | 79.3 | 144.3 | 159.2 | -42.5 | -136.7 | 135.2 | 0 | 0 | 119.8 | | |
| 164 | R | 42.9 | Very low | 39.1 | Very low | 186 Ų | 186 | 138.8 Ų | 138.8 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | | | cis | -158.5 | 138.6 | -16.6 | -109.1 | 175.1 | -156.7 | 174.4 | 17 | 111.2 | | |
| 165 | N | 43.3 | Very low | 39.3 | Very low | 139 Ų | 139 | 138.4 Ų | 138.4 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | | | trans | 61.3 | 106 | 145.6 | -55.2 | -8.4 | 0 | 0 | 0 | 123.7 | | |
| 166 | N | 43.6 | Very low | 39.2 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | | | | -165.7 | 99.2 | 126.5 | -106.6 | -23.4 | 0 | 0 | 0 | 109.4 | | |
| 167 | V | 38.7 | Very low | 39.3 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 68% | 0.679 | 76% | 0.756 | S | S | * | * | | | | 88.2 | 107.4 | 90.3 | 167.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 168 | K | 41.8 | Very low | 39.2 | Very low | 193 Ų | 193 | 138.5 Ų | 138.5 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | | | trans | 62.8 | 158.4 | 162.7 | -66.8 | 172.5 | 179.5 | 178.7 | 0 | 118.5 | | |
| 169 | S | 37.8 | Very low | 39.8 | Very low | 93 Ų | 93 | 137.8 Ų | 137.8 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | | | cis | -175.2 | 136.2 | -32.8 | -91.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 170 | T | 41.4 | Very low | 39.9 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 76% | 0.761 | 75% | 0.749 | S | S | * | * | | | trans | 59.8 | 160.3 | 156.4 | 57.4 | 0 | 0 | 0 | 0 | 118.7 | | |
| 171 | N | 37.8 | Very low | 40 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | | | cis | -157.8 | 176.6 | -22 | -104.3 | -8 | 0 | 0 | 0 | 109.9 | | |
| 172 | N | 37.2 | Very low | 39.9 | Very low | 159 Ų | 159 | 143 Ų | 143 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | | | trans | -73.4 | 152.6 | -171.7 | -55.1 | -42.7 | 0 | 0 | 0 | 116.9 | | |
| 173 | S | 38 | Very low | 39.9 | Very low | 109 Ų | 109 | 142.7 Ų | 142.7 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | | | trans | -166.5 | 108.7 | 152 | -168.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 174 | I | 42.7 | Very low | 39.8 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | | | | 88.7 | 118.8 | 71 | -70.3 | 168.1 | 0 | 0 | 0 | 114.6 | | |
| 175 | N | 40.3 | Very low | 39.6 | Very low | 130 Ų | 130 | 144 Ų | 144 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | | | trans | 58.4 | 119.6 | 153.3 | -66.4 | -4.8 | 0 | 0 | 0 | 124.9 | | |
| 176 | Y | 34.8 | Very low | 39.2 | Very low | 224 Ų | 224 | 142.9 Ų | 142.9 | 88% | 0.878 | 77% | 0.766 | S | S | * | * | | | trans | 38.3 | 124.5 | 130.8 | -59 | -74.5 | 0 | 0 | 0 | 122.6 | | |
| 177 | G | 37.2 | Very low | 39 | Very low | 82 Ų | 82 | 141.9 Ų | 141.9 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | | | trans | -171.9 | 93.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 178 | N | 36.1 | Very low | 39 | Very low | 160 Ų | 160 | 144.7 Ų | 144.7 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | | | trans | -83.9 | 169.2 | 165 | -130.5 | -6.3 | 0 | 0 | 0 | 108.4 | | |
| 179 | P | 42 | Very low | 38.8 | Very low | 94 Ų | 94 | 142.8 Ų | 142.8 | 61% | 0.61 | 77% | 0.765 | S | S | * | * | | | cis | -144.7 | -160 | 10.6 | 39.1 | -15.4 | 0 | 0 | 0 | 115.7 | | |
| 180 | K | 41.7 | Very low | 38.7 | Very low | 173 Ų | 173 | 148.4 Ų | 148.4 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | | | trans | 82.3 | 140.3 | 151.1 | -78.9 | 170.9 | -175.9 | 178.9 | 0 | 119.9 | | |
| 181 | Q | 40.4 | Very low | 38.3 | Very low | 166 Ų | 166 | 147 Ų | 147 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | 69.3 | 143.2 | 155.5 | -65.9 | 176.4 | -83.9 | 0 | 0 | 116.8 | | |
| 182 | D | 39.1 | Very low | 38.1 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 68% | 0.684 | 76% | 0.76 | S | S | * | * | | | cis | -154.9 | -168.2 | -7.1 | -123 | -37.4 | 0 | 0 | 0 | 111.2 | | |
| 183 | L | 40.1 | Very low | 37.9 | Very low | 156 Ų | 156 | 144.9 Ų | 144.9 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | | | trans | 76.8 | 88.2 | 164 | -69.6 | 143.9 | 0 | 0 | 0 | 118.3 | | |
| 184 | K | 39 | Very low | 38 | Very low | 185 Ų | 185 | 147.4 Ų | 147.4 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | -54.8 | 145.1 | 143 | -53.6 | 165.7 | 179.1 | 173.3 | 0 | 110.1 | | |
| 185 | I | 38 | Very low | 37.4 | Very low | 154 Ų | 154 | 145.3 Ų | 145.3 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | | | | -134.6 | 110.1 | 127.1 | -61.5 | -173.2 | 0 | 0 | 0 | 108.7 | | |
| 186 | T | 36.6 | Very low | 37.2 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | | | trans | -91.5 | 133.5 | 159.1 | 46.5 | 0 | 0 | 0 | 0 | 109 | | |
| 187 | N | 39 | Very low | 37.1 | Very low | 137 Ų | 137 | 144.8 Ų | 144.8 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | | | trans | -154.2 | 121.1 | 150.3 | -85.6 | -37.8 | 0 | 0 | 0 | 105.2 | | |
| 188 | E | 37.2 | Very low | 37.1 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | | | | 53.9 | 108.1 | 73.2 | -65.3 | -147.9 | 178 | 0 | 0 | 113.3 | | |
| 189 | L | 37.7 | Very low | 37 | Very low | 154 Ų | 154 | 147.5 Ų | 147.5 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | | | | -165.4 | 100.9 | 113.2 | -103.5 | 166.9 | 0 | 0 | 0 | 111.3 | S191 | L189-S191 PolarHBondContact O-N 3.38Š|
| 190 | K | 35.5 | Very low | 36.8 | Very low | 211 Ų | 211 | 150.3 Ų | 150.3 | 92% | 0.917 | 76% | 0.759 | S | S | * | * | | | trans | -71.2 | 105.9 | 154.9 | -71.3 | 173.3 | 178.7 | 170.8 | 0 | 107.6 | | |
| 191 | S | 33.3 | Very low | 36.3 | Very low | 93 Ų | 93 | 147 Ų | 147 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | | | trans | -171.5 | 153.2 | 149.3 | 58.4 | 0 | 0 | 0 | 0 | 114.9 | L189 | L189-S191 PolarHBondContact O-N 3.38Š|
| 192 | S | 33.2 | Very low | 36.2 | Very low | 75 Ų | 75 | 146.6 Ų | 146.6 | 52% | 0.524 | 75% | 0.75 | S | S | . | * | | | trans | 61 | 64.8 | 139.3 | -167.9 | 0 | 0 | 0 | 0 | 119.3 | K194 | S192-K194 PolarHBondContact O-N 3.49Å; S192-K194 WeakPolarHBondContact OG-CD 3.33Å; S192-K194 WeakPolarHBondContact OG-CG 3.42Å |
| 193 | L | 34.3 | Very low | 35.9 | Very low | 187 Ų | 187 | 149.5 Ų | 149.5 | 98% | 0.979 | 76% | 0.759 | S | S | * | * | | | trans | -82.8 | 66.7 | 136 | -135.9 | 77 | 0 | 0 | 0 | 109.6 | S195 | L193-S195 PolarHBondContact O-N 3.12Š|
| 194 | K | 39.1 | Very low | 35.8 | Very low | 162 Ų | 162 | 146.6 Ų | 146.6 | 70% | 0.704 | 75% | 0.752 | S | S | * | * | | | trans | -69 | 129.1 | 174.2 | -81.9 | 175.4 | -177.9 | 173.3 | 0 | 109.6 | S192 I196 | S192-K194 PolarHBondContact O-N 3.49Å; S192-K194 WeakPolarHBondContact OG-CD 3.33Å; S192-K194 WeakPolarHBondContact OG-CG 3.42Å; K194-I196 PolarHBondContact O-N 3.2Å |
| 195 | S | 30.3 | Very low | 35.7 | Very low | 97 Ų | 97 | 147.5 Ų | 147.5 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | | | trans | 0.8 | 99.4 | 154.9 | 59 | 0 | 0 | 0 | 0 | 116.2 | L193 K197 | L193-S195 PolarHBondContact O-N 3.12Å; S195-K197 PolarHBondContact O-N 3.35Å |
| 196 | I | 37 | Very low | 35.5 | Very low | 152 Ų | 152 | 150.2 Ų | 150.2 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | | | trans | -73.3 | 81.9 | 164.5 | -59.6 | -179.6 | 0 | 0 | 0 | 108 | K194 T198 | K194-I196 PolarHBondContact O-N 3.2Å; I196-T198 VanDerWaalsContact C-N 3.31Å; I196-T198 HydrophobicContact CG2-CG2 3.93Å; I196-T198 PolarHBondContact O-N 3.45Å |
| 197 | K | 32.4 | Very low | 35.8 | Very low | 190 Ų | 190 | 154.3 Ų | 154.3 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | | | trans | -76.9 | 87 | 157.9 | -87.1 | -177.3 | 172 | 176.2 | 0 | 107.4 | S195 K199 | S195-K197 PolarHBondContact O-N 3.35Å; K197-K199 PolarHBondContact O-N 3.48Å |
| 198 | T | 37.4 | Very low | 35.8 | Very low | 117 Ų | 117 | 154.9 Ų | 154.9 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | | | trans | -64.7 | 83.1 | 164.2 | 24.6 | 0 | 0 | 0 | 0 | 109.1 | I196 E200 | I196-T198 VanDerWaalsContact C-N 3.31Å; I196-T198 HydrophobicContact CG2-CG2 3.93Å; I196-T198 PolarHBondContact O-N 3.45Å; T198-E200 PolarHBondContact O-N 3.44Å |
| 199 | K | 33.8 | Very low | 36.1 | Very low | 183 Ų | 183 | 152.6 Ų | 152.6 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | | | trans | -77.5 | 60.2 | 171.9 | -167.5 | -170.6 | 177 | -173 | 0 | 109 | K197 T201 | K197-K199 PolarHBondContact O-N 3.48Å; K199-T201 PolarHBondContact O-N 3.22Å; K199-T201 VanDerWaalsContact O-N 3.1Å; K199-T201 PolarHBondContact O-OG1 3.26Å |
| 200 | E | 37.7 | Very low | 36 | Very low | 152 Ų | 152 | 152.5 Ų | 152.5 | 71% | 0.71 | 77% | 0.772 | S | S | * | * | | | trans | -69 | 110.8 | -172.8 | -152.5 | 179.2 | -147.5 | 0 | 0 | 109.7 | T198 F202 | T198-E200 PolarHBondContact O-N 3.44Å; E200-F202 HydrophobicContact CG-CD2 3.68Å; E200-F202 HydrophobicContact CG-CE2 3.74Å; E200-F202 PolarHBondContact O-N 3.49Å |
| 201 | T | 30.8 | Very low | 36.1 | Very low | 105 Ų | 105 | 152.3 Ų | 152.3 | 64% | 0.644 | 77% | 0.772 | S | S | * | * | | | trans | -103.7 | 66.7 | -165.5 | -57.1 | 0 | 0 | 0 | 0 | 110 | K199 Q203 | K199-T201 PolarHBondContact O-N 3.22Å; K199-T201 VanDerWaalsContact O-N 3.1Å; K199-T201 PolarHBondContact O-OG1 3.26Å; T201-Q203 PolarHBondContact O-N 3.47Å |
| 202 | F | 37.9 | Very low | 36.2 | Very low | 156 Ų | 156 | 158.8 Ų | 158.8 | 68% | 0.684 | 78% | 0.782 | S | S | * | * | | | trans | -91 | 93.2 | 176.1 | -81.9 | -66.7 | 0 | 0 | 0 | 112.6 | E200 S204 | E200-F202 HydrophobicContact CG-CD2 3.68Å; E200-F202 HydrophobicContact CG-CE2 3.74Å; E200-F202 PolarHBondContact O-N 3.49Å; F202-S204 PolarHBondContact O-N 3.35Å |
| 203 | Q | 32.8 | Very low | 36.3 | Very low | 190 Ų | 190 | 160.2 Ų | 160.2 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | | | trans | -75.6 | 88 | 160.6 | -71.3 | -165.7 | 55.8 | 0 | 0 | 110.5 | T201 | T201-Q203 PolarHBondContact O-N 3.47Š|
| 204 | S | 38.2 | Very low | 36.5 | Very low | 94 Ų | 94 | 158.3 Ų | 158.3 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | | | trans | -131.1 | 80 | 177.6 | 48.5 | 0 | 0 | 0 | 0 | 113.6 | F202 | F202-S204 PolarHBondContact O-N 3.35Š|
| 205 | K | 37 | Very low | 36.1 | Very low | 204 Ų | 204 | 155.6 Ų | 155.6 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | | | trans | 33.9 | 109.8 | 146.3 | -62.2 | 178 | -178.8 | 175.9 | 0 | 118.2 | K207 | K205-K207 PolarHBondContact O-N 2.75Š|
| 206 | K | 34.4 | Very low | 36.7 | Very low | 211 Ų | 211 | 159 Ų | 159 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | | | trans | -39.3 | 126 | 160 | -60.6 | 169.6 | 177.9 | 173.4 | 0 | 112.7 | | |
| 207 | K | 42 | Very low | 36.6 | Very low | 201 Ų | 201 | 157.3 Ų | 157.3 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | trans | -143.9 | 135.4 | 147 | -75.5 | -162.6 | 174.9 | -175.3 | 0 | 109.3 | K205 | K205-K207 PolarHBondContact O-N 2.75Š|
| 208 | N | 40.5 | Very low | 36.7 | Very low | 149 Ų | 149 | 156.3 Ų | 156.3 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 145.9 | 174.4 | -61.2 | -23.6 | 0 | 0 | 0 | 109.7 | | |
| 209 | P | 43.8 | Very low | 36.7 | Very low | 122 Ų | 122 | 157.2 Ų | 157.2 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 148.4 | 157.1 | 30.7 | -32.9 | 0 | 0 | 0 | 109.9 | | |
| 210 | L | 35.8 | Very low | 36.9 | Very low | 152 Ų | 152 | 155.8 Ų | 155.8 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 138.1 | -174.4 | -80.6 | 60.7 | 0 | 0 | 0 | 111.8 | | |
| 211 | F | 37.1 | Very low | 37.1 | Very low | 207 Ų | 207 | 155.5 Ų | 155.5 | 91% | 0.908 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 121.6 | 140.5 | -87.8 | -85.2 | 0 | 0 | 0 | 107.8 | S213 | F211-S213 PolarHBondContact O-N 2.85Å; F211-S213 VanDerWaalsContact O-N 3.16Å |
| 212 | R | 34.6 | Very low | 37.5 | Very low | 228 Ų | 228 | 155.7 Ų | 155.7 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | -71.9 | 100.8 | 169.1 | -84.3 | -179.2 | 164.4 | -172.4 | -4.9 | 109 | | |
| 213 | S | 34.7 | Very low | 37.4 | Very low | 105 Ų | 105 | 154.3 Ų | 154.3 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | trans | -83.6 | 117 | 154.2 | 51.9 | 0 | 0 | 0 | 0 | 108 | F211 T215 | F211-S213 PolarHBondContact O-N 2.85Å; F211-S213 VanDerWaalsContact O-N 3.16Å; S213-T215 PolarHBondContact O-N 3.49Å |
| 214 | I | 38.7 | Very low | 37.4 | Very low | 148 Ų | 148 | 152.1 Ų | 152.1 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | | | trans | -81.4 | 104.7 | 177.4 | -49.1 | 171.8 | 0 | 0 | 0 | 107.5 | | |
| 215 | T | 32.3 | Very low | 37.1 | Very low | 104 Ų | 104 | 154.6 Ų | 154.6 | 64% | 0.638 | 79% | 0.788 | S | S | * | * | | | trans | -78.9 | 137.9 | 158.9 | 43.9 | 0 | 0 | 0 | 0 | 108.4 | S213 | S213-T215 PolarHBondContact O-N 3.49Š|
| 216 | L | 41.5 | Very low | 36.9 | Very low | 170 Ų | 170 | 153 Ų | 153 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | | | trans | -98.4 | 115.9 | 162.3 | -77.5 | 171.8 | 0 | 0 | 0 | 106.6 | | |
| 217 | D | 34.7 | Very low | 36.6 | Very low | 116 Ų | 116 | 148.2 Ų | 148.2 | 62% | 0.62 | 77% | 0.767 | S | S | * | * | | | trans | -77.3 | 154.7 | -177.3 | -46.8 | -51 | 0 | 0 | 0 | 110.4 | | |
| 218 | N | 36 | Very low | 36.1 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | | | trans | -153.3 | 59.3 | 160.1 | -113.1 | -27.5 | 0 | 0 | 0 | 107.9 | | |
| 219 | D | 36.6 | Very low | 35.6 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | | | trans | -64.4 | 136.5 | 169.3 | -79.1 | -45 | 0 | 0 | 0 | 110 | | |
| 220 | N | 38.8 | Very low | 35 | Very low | 152 Ų | 152 | 146.1 Ų | 146.1 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | | | trans | -144.1 | 67.2 | 161.1 | -114.7 | -29.6 | 0 | 0 | 0 | 108.8 | | |
| 221 | M | 39.9 | Very low | 34.8 | Very low | 146 Ų | 146 | 143.8 Ų | 143.8 | 72% | 0.719 | 75% | 0.753 | S | S | * | * | | | trans | -78.2 | 143.9 | 152.3 | -74.4 | -72.6 | 98.8 | 0 | 0 | 108.5 | | |
| 222 | P | 40.7 | Very low | 34.4 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | | | | -119.9 | 136.5 | 106.7 | 37.6 | -35.7 | 0 | 0 | 0 | 109.7 | | |
| 223 | N | 34.4 | Very low | 34.2 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 68% | 0.684 | 74% | 0.744 | S | S | * | * | | | | 46.7 | 85.5 | 71.7 | -68.9 | 10.9 | 0 | 0 | 0 | 110.2 | | |
| 224 | D | 33.7 | Very low | 34 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 77% | 0.765 | 75% | 0.749 | S | S | * | * | | | | 94.9 | 150.2 | 90.9 | -101.6 | -39.2 | 0 | 0 | 0 | 112 | | |
| 225 | I | 30.9 | Very low | 33.5 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | | | trans | 63.1 | 100.2 | 171.7 | -52.8 | 150.9 | 0 | 0 | 0 | 115.7 | | |
| 226 | H | 34.3 | Very low | 33.3 | Very low | 171 Ų | 171 | 134 Ų | 134 | 79% | 0.792 | 75% | 0.75 | S | S | * | * | | | | -169.6 | 98.9 | 130 | -97.5 | -64.3 | 0 | 0 | 0 | 108 | | |
| 227 | N | 27.6 | Very low | 32.8 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 59% | 0.588 | 74% | 0.74 | S | S | * | * | | | | 55.7 | 66.1 | 97.3 | -164 | 30.3 | 0 | 0 | 0 | 115.5 | N229 | N227-N229 VanDerWaalsContact C-N 3.33Å; N227-N229 PolarHBondContact ND2-ND2 3.01Å; N227-N229 PolarHBondContact ND2-OD1 2.99Å; N227-N229 VanDerWaalsContact ND2-OD1 3.14Å; N227-N229 PolarHBondContact O-N 2.85Å; N227-N229 PolarHBondContact O-ND2 3.47Å; N227-N229 PolarHBondContact OD1-OD1 2.98Å |
| 228 | N | 30.9 | Very low | 32.6 | Very low | 165 Ų | 165 | 130.9 Ų | 130.9 | 88% | 0.882 | 75% | 0.746 | S | S | * | * | | | trans | -75.4 | 86.3 | 162.2 | -94.9 | -0.1 | 0 | 0 | 0 | 110.2 | N230 | N228-N230 PolarHBondContact O-N 3.24Š|
| 229 | N | 31.1 | Very low | 32.5 | Very low | 109 Ų | 109 | 126.2 Ų | 126.2 | 58% | 0.583 | 73% | 0.727 | S | S | * | * | | | trans | -62 | 129.5 | 157.4 | -39.6 | -87.6 | 0 | 0 | 0 | 108.2 | N227 | N227-N229 VanDerWaalsContact C-N 3.33Å; N227-N229 PolarHBondContact ND2-ND2 3.01Å; N227-N229 PolarHBondContact ND2-OD1 2.99Å; N227-N229 VanDerWaalsContact ND2-OD1 3.14Å; N227-N229 PolarHBondContact O-N 2.85Å; N227-N229 PolarHBondContact O-ND2 3.47Å; N227-N229 PolarHBondContact OD1-OD1 2.98Å |
| 230 | N | 30.4 | Very low | 32.4 | Very low | 154 Ų | 154 | 131 Ų | 131 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | | | | 178.5 | 161.8 | 109.1 | -98.4 | -12.1 | 0 | 0 | 0 | 112.8 | N228 | N228-N230 PolarHBondContact O-N 3.24Š|
| 231 | P | 33 | Very low | 32.2 | Very low | 104 Ų | 104 | 130 Ų | 130 | 68% | 0.675 | 73% | 0.728 | S | S | * | * | | | trans | -90.9 | -177.9 | -169 | 38.9 | -38.8 | 0 | 0 | 0 | 113.3 | | |
| 232 | L | 28.7 | Very low | 31.8 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 83% | 0.827 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 13.2 | 134.8 | 143.4 | -67.2 | 162.7 | 0 | 0 | 0 | 119.2 | | |
| 233 | S | 28.6 | Very low | 31.3 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | | | trans | 80.5 | 141.4 | 155.3 | -54.3 | 0 | 0 | 0 | 0 | 117.8 | | |
| 234 | S | 30.9 | Very low | 31.1 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 85% | 0.846 | 73% | 0.729 | S | S | * | * | | | trans | 62.6 | 138.1 | 172 | 69.2 | 0 | 0 | 0 | 0 | 117 | | |
| 235 | S | 29.4 | Very low | 31.1 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | | | cis | -148 | 166.6 | -21.3 | 60.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 236 | S | 27.9 | Very low | 31.2 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 66% | 0.664 | 73% | 0.727 | S | S | * | * | | | trans | -51.7 | 169.8 | 157.3 | 52.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 237 | S | 30.7 | Very low | 31 | Very low | 99 Ų | 99 | 130 Ų | 130 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | | | trans | 76.3 | 152.7 | 149.3 | -63 | 0 | 0 | 0 | 0 | 116.2 | | |
| 238 | T | 31.2 | Very low | 31.2 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 74% | 0.742 | 73% | 0.728 | S | S | * | * | | | cis | -157 | 166.4 | -0.7 | 0.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 239 | S | 32.1 | Very low | 31.4 | Very low | 70 Ų | 70 | 130 Ų | 130 | 49% | 0.49 | 73% | 0.726 | S | S | . | * | | | trans | 46.1 | 124.3 | 144.2 | 69.6 | 0 | 0 | 0 | 0 | 119.9 | L241 | S239-L241 PolarHBondContact O-N 3.44Š|
| 240 | R | 35.2 | Very low | 31.6 | Very low | 237 Ų | 237 | 129 Ų | 129 | 89% | 0.894 | 73% | 0.728 | S | S | * | * | | | | 51.8 | 54 | 62.2 | -50 | 175.3 | 85.2 | -169.6 | 11.7 | 114 | | |
| 241 | L | 33.9 | Very low | 32.1 | Very low | 131 Ų | 131 | 127 Ų | 127 | 69% | 0.686 | 72% | 0.718 | S | S | * | * | | | trans | -120.4 | 124.9 | 157.6 | -63.2 | 179.1 | 0 | 0 | 0 | 110.2 | S239 | S239-L241 PolarHBondContact O-N 3.44Š|
| 242 | K | 31.4 | Very low | 32.5 | Very low | 164 Ų | 164 | 129.2 Ų | 129.2 | 71% | 0.713 | 72% | 0.716 | S | S | * | * | | | cis | -160.9 | 163.9 | -23.6 | -129.9 | 172.4 | -156.2 | 158.1 | 0 | 109 | | |
| 243 | K | 31.8 | Very low | 32.8 | Very low | 174 Ų | 174 | 129.9 Ų | 129.9 | 76% | 0.757 | 71% | 0.712 | S | S | * | * | | | trans | 1.3 | 130.6 | 130.7 | -65.1 | -176 | 178.1 | -170.1 | 0 | 114.2 | | |
| 244 | L | 30.5 | Very low | 32.9 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 65% | 0.649 | 71% | 0.713 | S | S | * | * | | | cis | -157.9 | 158.4 | 38.8 | -93.8 | 115.2 | 0 | 0 | 0 | 114 | F246 | L244-F246 HydrophobicContact CB-CD2 4.02Å; L244-F246 HydrophobicContact CB-CE2 3.75Å; L244-F246 HydrophobicContact CD1-CE2 4.39Å; L244-F246 HydrophobicContact CD2-CE2 3.92Å; L244-F246 HydrophobicContact CD2-CZ 4.01Å; L244-F246 HydrophobicContact CG-CE2 4.21Å; L244-F246 PolarHBondContact O-N 3.34Å |
| 245 | S | 33.1 | Very low | 32.9 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | | | trans | -61 | 115.5 | 152.2 | 50.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 246 | F | 32.6 | Very low | 33 | Very low | 171 Ų | 171 | 141.7 Ų | 141.7 | 75% | 0.75 | 72% | 0.718 | S | S | * | * | | | trans | -139.7 | 122.8 | 148.7 | -66.1 | -75.1 | 0 | 0 | 0 | 105.8 | L244 | L244-F246 HydrophobicContact CB-CD2 4.02Å; L244-F246 HydrophobicContact CB-CE2 3.75Å; L244-F246 HydrophobicContact CD1-CE2 4.39Å; L244-F246 HydrophobicContact CD2-CE2 3.92Å; L244-F246 HydrophobicContact CD2-CZ 4.01Å; L244-F246 HydrophobicContact CG-CE2 4.21Å; L244-F246 PolarHBondContact O-N 3.34Å |
| 247 | S | 30.7 | Very low | 33.2 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | | | | 63.8 | 99.8 | 57.4 | -168.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 248 | S | 30.7 | Very low | 33.3 | Very low | 93 Ų | 93 | 142.5 Ų | 142.5 | 65% | 0.65 | 71% | 0.714 | S | S | * | * | | | | -178.8 | 154 | 111.6 | 44 | 0 | 0 | 0 | 0 | 111.9 | | |
| 249 | Q | 35.5 | Very low | 33.3 | Very low | 180 Ų | 180 | 146.2 Ų | 146.2 | 84% | 0.841 | 72% | 0.715 | S | S | * | * | | | trans | 62 | 143.3 | 151.5 | -72.1 | 166 | -2.1 | 0 | 0 | 120.7 | | |
| 250 | S | 34.8 | Very low | 33.4 | Very low | 89 Ų | 89 | 149.5 Ų | 149.5 | 62% | 0.622 | 73% | 0.726 | S | S | * | * | | | cis | -170.1 | 169.4 | -29.3 | 39.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 251 | D | 41 | Very low | 33.2 | Very low | 113 Ų | 113 | 147.4 Ų | 147.4 | 60% | 0.604 | 72% | 0.723 | S | S | * | * | | | trans | 83.5 | 136.8 | 155.7 | -67.4 | 1.6 | 0 | 0 | 0 | 120 | | |
| 252 | K | 41.7 | Very low | 33.2 | Very low | 150 Ų | 150 | 145.2 Ų | 145.2 | 65% | 0.652 | 72% | 0.719 | S | S | * | * | | | cis | -164.5 | 138.1 | -22.9 | -121.7 | 163.6 | -159.7 | 133.7 | 0 | 108.9 | | |
| 253 | K | 36.3 | Very low | 33.6 | Very low | 171 Ų | 171 | 146.3 Ų | 146.3 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | | | trans | 61.2 | 113.5 | 149.7 | -66.7 | 175.6 | -179.7 | -173.8 | 0 | 117.9 | | |
| 254 | L | 29.8 | Very low | 34 | Very low | 142 Ų | 142 | 145 Ų | 145 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | | | | 70 | 127 | 80.8 | -90.3 | 118.8 | 0 | 0 | 0 | 114.1 | | |
| 255 | Y | 31.3 | Very low | 34.4 | Very low | 213 Ų | 213 | 146 Ų | 146 | 84% | 0.835 | 74% | 0.736 | S | S | * | * | | | trans | 34.7 | 128.7 | 143.2 | -72.4 | -113.7 | 0 | 0 | 0 | 117.6 | | |
| 256 | R | 30.3 | Very low | 34.9 | Very low | 227 Ų | 227 | 146.6 Ų | 146.6 | 86% | 0.857 | 74% | 0.737 | S | S | * | * | | | | -165.6 | 162.8 | 58.4 | -148.1 | 175.6 | -166.3 | 165.5 | 2.3 | 112.7 | | |
| 257 | S | 33.7 | Very low | 35.2 | Very low | 95 Ų | 95 | 147.6 Ų | 147.6 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | | | trans | -63.2 | 174.1 | 157.2 | -45.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 258 | D | 31 | Very low | 35.4 | Very low | 116 Ų | 116 | 151.3 Ų | 151.3 | 62% | 0.62 | 75% | 0.747 | S | S | * | * | | | trans | 77 | 145.7 | -176.4 | -47.2 | 5.2 | 0 | 0 | 0 | 113.9 | | |
| 259 | R | 32.7 | Very low | 35.6 | Very low | 199 Ų | 199 | 155.7 Ų | 155.7 | 75% | 0.751 | 76% | 0.759 | S | S | * | * | | | cis | -137.7 | 146.3 | 8.8 | -100.6 | 103.7 | -153.3 | -95.8 | -3.5 | 111.4 | | |
| 260 | L | 33.7 | Very low | 35.7 | Very low | 139 Ų | 139 | 156.1 Ų | 156.1 | 73% | 0.728 | 76% | 0.763 | S | S | * | * | | | trans | 53.4 | 141.7 | 134.7 | -54.2 | 171 | 0 | 0 | 0 | 121.8 | | |
| 261 | F | 31.4 | Very low | 35.7 | Very low | 192 Ų | 192 | 159.4 Ų | 159.4 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | | | trans | 0.5 | 137.1 | 140.4 | -52.8 | -98.7 | 0 | 0 | 0 | 116.5 | | |
| 262 | S | 33.8 | Very low | 35.4 | Very low | 86 Ų | 86 | 162.6 Ų | 162.6 | 60% | 0.601 | 79% | 0.79 | S | S | * | * | | | cis | -174.9 | 166.4 | 47.8 | 77.6 | 0 | 0 | 0 | 0 | 114 | | |
| 263 | K | 40.3 | Very low | 35.1 | Very low | 187 Ų | 187 | 164.9 Ų | 164.9 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | | | trans | 45.9 | 114 | 145.7 | -59.1 | 159.7 | -171.4 | 172.2 | 0 | 118.7 | | |
| 264 | V | 38.6 | Very low | 35.1 | Very low | 145 Ų | 145 | 163.7 Ų | 163.7 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | | | | -175.7 | 154.3 | 103.5 | 148.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 265 | L | 40.6 | Very low | 35.4 | Very low | 147 Ų | 147 | 164.5 Ų | 164.5 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | | | trans | -97 | -178.5 | -179 | -68 | 156.6 | 0 | 0 | 0 | 110.5 | | |
| 266 | P | 43.6 | Very low | 35.4 | Very low | 117 Ų | 117 | 161 Ų | 161 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | | | cis | -112.3 | 177.6 | -12.1 | 37.9 | -23 | 0 | 0 | 0 | 111.2 | | |
| 267 | K | 37.4 | Very low | 35.7 | Very low | 191 Ų | 191 | 157.4 Ų | 157.4 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | | | cis | 83 | 39.4 | 18.7 | -144.6 | -175.3 | -179.5 | -179.1 | 0 | 117.6 | | |
| 268 | E | 35.7 | Very low | 35.6 | Very low | 186 Ų | 186 | 161.4 Ų | 161.4 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | | | trans | -145.2 | 166.7 | 146.1 | -116.2 | 168.2 | -158.9 | 0 | 0 | 108.1 | | |
| 269 | M | 35.6 | Very low | 35.8 | Very low | 185 Ų | 185 | 164.7 Ų | 164.7 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 58.2 | 76.6 | -174.2 | -60 | -177.4 | 67.9 | 0 | 0 | 116.5 | | |
| 270 | M | 37.1 | Very low | 35.9 | Very low | 189 Ų | 189 | 162.1 Ų | 162.1 | 93% | 0.931 | 81% | 0.809 | S | S | * | * | | | trans | -166.5 | 86.3 | 145 | -108.9 | 176.1 | -155.7 | 0 | 0 | 110.2 | | |
| 271 | D | 33.8 | Very low | 35.9 | Very low | 158 Ų | 158 | 159 Ų | 159 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | | | trans | -62.3 | 163.5 | 152.1 | -75.1 | -56.2 | 0 | 0 | 0 | 109.5 | | |
| 272 | L | 35 | Very low | 35.8 | Very low | 180 Ų | 180 | 155.4 Ų | 155.4 | 94% | 0.942 | 81% | 0.81 | S | S | * | * | | | trans | 72.4 | 68.8 | -172.9 | -51.2 | 164.5 | 0 | 0 | 0 | 114.7 | | |
| 273 | K | 35.7 | Very low | 36 | Very low | 197 Ų | 197 | 156.5 Ų | 156.5 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | | | trans | -135.2 | 106.8 | 145.7 | -159.1 | 158.1 | -171.9 | 172.8 | 0 | 114.5 | | |
| 274 | I | 35.2 | Very low | 35.6 | Very low | 146 Ų | 146 | 153 Ų | 153 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | | | trans | -31.6 | 128.1 | 161.2 | -61.6 | 155.8 | 0 | 0 | 0 | 111.7 | | |
| 275 | I | 36.6 | Very low | 35.5 | Very low | 160 Ų | 160 | 154.7 Ų | 154.7 | 82% | 0.821 | 81% | 0.811 | S | S | * | * | | | trans | -116.6 | 107.2 | 161.2 | -64.3 | 178.1 | 0 | 0 | 0 | 106.9 | | |
| 276 | D | 32.3 | Very low | 35.3 | Very low | 138 Ų | 138 | 154.9 Ų | 154.9 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | | | trans | -64.6 | 134 | 157.9 | -80.3 | -63.9 | 0 | 0 | 0 | 109.1 | | |
| 277 | M | 35.6 | Very low | 34.6 | Very low | 153 Ų | 153 | 155 Ų | 155 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | | | | -169.6 | 107.6 | 126.6 | -105.6 | 175.1 | 68.5 | 0 | 0 | 113.3 | | |
| 278 | K | 32.9 | Very low | 34.8 | Very low | 179 Ų | 179 | 152.1 Ų | 152.1 | 78% | 0.778 | 81% | 0.807 | S | S | * | * | | | trans | 68.2 | 130.2 | 143.7 | -63.9 | 180 | 176.7 | -178.6 | 0 | 120.1 | | |
| 279 | K | 35.1 | Very low | 34.5 | Very low | 185 Ų | 185 | 148.8 Ų | 148.8 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | 75.8 | 114.7 | 137 | -165.7 | 175.7 | -179.3 | -177.2 | 0 | 115.3 | | |
| 280 | D | 33.4 | Very low | 34.3 | Very low | 144 Ų | 144 | 146.3 Ų | 146.3 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | | | cis | -147.1 | 176.6 | 30.8 | -94.9 | -47.7 | 0 | 0 | 0 | 113.3 | | |
| 281 | G | 33.2 | Very low | 34 | Very low | 75 Ų | 75 | 143.3 Ų | 143.3 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | trans | 84.1 | 69.5 | 145.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 282 | S | 30.7 | Very low | 33.9 | Very low | 116 Ų | 116 | 139 Ų | 139 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | | | trans | -67.4 | 133.2 | 172.7 | 177.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 283 | S | 36.9 | Very low | 34 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | | -176.6 | 99.8 | 128.4 | 33.3 | 0 | 0 | 0 | 0 | 115.1 | L285 | S283-L285 PolarHBondContact O-N 2.9Š|
| 284 | D | 32.2 | Very low | 34.7 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 61% | 0.61 | 78% | 0.775 | S | S | * | * | | | trans | 31.4 | 75.4 | 147.1 | -82.9 | 5.9 | 0 | 0 | 0 | 119.8 | K286 | D284-K286 HydrophobicContact CB-CG 4.45Å; D284-K286 VanDerWaalsContact CG-NZ 3.32Å; D284-K286 PolarHBondContact O-N 2.61Å; D284-K286 IonicContact OD1-NZ 2.61Å; D284-K286 PolarHBondContact OD1-NZ 3.36Å; D284-K286 IonicContact OD2-NZ 3.38Å; D284-K286 PolarHBondContact OD2-NZ 2.79Å |
| 285 | L | 35.7 | Very low | 35.7 | Very low | 179 Ų | 179 | 132.6 Ų | 132.6 | 94% | 0.937 | 77% | 0.767 | S | S | * | * | | | trans | -77.8 | 70.1 | 149.9 | -78.8 | 176.2 | 0 | 0 | 0 | 110.4 | S283 S287 | S283-L285 PolarHBondContact O-N 2.9Å; L285-S287 PolarHBondContact O-N 3.46Å |
| 286 | K | 36.8 | Very low | 37.6 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 66% | 0.657 | 76% | 0.756 | S | S | * | * | | | trans | -75.3 | 103.5 | 173.2 | -82.6 | 177 | 171.4 | 128.5 | 0 | 110.6 | D284 V288 | D284-K286 HydrophobicContact CB-CG 4.45Å; D284-K286 VanDerWaalsContact CG-NZ 3.32Å; D284-K286 PolarHBondContact O-N 2.61Å; D284-K286 IonicContact OD1-NZ 2.61Å; D284-K286 PolarHBondContact OD1-NZ 3.36Å; D284-K286 IonicContact OD2-NZ 3.38Å; D284-K286 PolarHBondContact OD2-NZ 2.79Å; K286-V288 PolarHBondContact O-N 3.07Å |
| 287 | S | 30.1 | Very low | 39.6 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | | | trans | -61.3 | 114.3 | 167.3 | 40.5 | 0 | 0 | 0 | 0 | 110.3 | L285 | L285-S287 PolarHBondContact O-N 3.46Š|
| 288 | V | 40 | Very low | 41.5 | Very low | 132 Ų | 132 | 126 Ų | 126 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | | | trans | -127.2 | 106.7 | 169.4 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | K286 | K286-V288 PolarHBondContact O-N 3.07Š|
| 289 | T | 30.1 | Very low | 43.8 | Very low | 116 Ų | 116 | 121.4 Ų | 121.4 | 71% | 0.712 | 72% | 0.719 | S | S | * | * | | | trans | -78 | 174.2 | 170.7 | 47 | 0 | 0 | 0 | 0 | 110.9 | | |
| 290 | T | 31.9 | Very low | 45.9 | Very low | 132 Ų | 132 | 120.5 Ų | 120.5 | 81% | 0.81 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 81.7 | 145.2 | 170.4 | 76.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 291 | S | 31.6 | Very low | 48 | Very low | 126 Ų | 126 | 120.7 Ų | 120.7 | 88% | 0.881 | 71% | 0.705 | S | S | * | * | | | trans | -43 | 121.1 | -177.2 | 47.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 292 | G | 29.9 | Very low | 50.1 | Low | 67 Ų | 67 | 125.9 Ų | 125.9 | 69% | 0.691 | 70% | 0.701 | S | S | * | * | | | trans | -160.8 | 132.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q294 | G292-Q294 PolarHBondContact O-N 3.05Š|
| 293 | S | 37 | Very low | 52.3 | Low | 120 Ų | 120 | 122.6 Ų | 122.6 | 84% | 0.839 | 68% | 0.681 | S | S | * | * | | | trans | -52 | 125.9 | -175.2 | 45.7 | 0 | 0 | 0 | 0 | 112.1 | N295 | S293-N295 PolarHBondContact O-N 3.41Š|
| 294 | Q | 51.2 | Low | 54.2 | Low | 159 Ų | 159 | 122.9 Ų | 122.9 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | | | trans | -60.5 | 101.7 | -177.6 | -74.2 | -168.1 | -3 | 0 | 0 | 110.3 | G292 I296 L299 | G292-Q294 PolarHBondContact O-N 3.05Å; Q294-I296 PolarHBondContact O-N 3.07Å; Q294-L299 HydrophobicContact CB-CD1 4.47Å |
| 295 | N | 55.6 | Low | 56.1 | Low | 111 Ų | 111 | 123 Ų | 123 | 59% | 0.594 | 67% | 0.665 | S | S | * | * | | | trans | -66.7 | 109 | -179.7 | -175.2 | -21 | 0 | 0 | 0 | 109 | S293 K297 G298 L299 | S293-N295 PolarHBondContact O-N 3.41Å; N295-K297 PolarHBondContact O-N 3.21Å; N295-K297 WeakPolarHBondContact OD1-CB 3.4Å; N295-K297 PolarHBondContact OD1-N 3.01Å; N295-G298 WeakPolarHBondContact O-CA 3.13Å; N295-G298 PolarHBondContact O-N 3.35Å; N295-L299 PolarHBondContact O-N 3.41Å |
| 296 | I | 76.8 | Confident | 58 | Low | 114 Ų | 114 | 117.5 Ų | 117.5 | 59% | 0.585 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -50.3 | -35.5 | -179 | -67.1 | 171.3 | 0 | 0 | 0 | 111.4 | Q294 G298 L299 W300 | Q294-I296 PolarHBondContact O-N 3.07Å; I296-G298 VanDerWaalsContact C-N 3.27Å; I296-G298 PolarHBondContact O-N 3.18Å; I296-L299 PolarHBondContact O-N 3.12Å; I296-W300 VanDerWaalsContact O-CD1 3.28Å; I296-W300 PolarHBondContact O-N 3.38Å |
| 297 | K | 74.6 | Confident | 59.5 | Low | 166 Ų | 166 | 115.7 Ų | 115.7 | 72% | 0.722 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -65.2 | -28.2 | 176.1 | -64.3 | 176.1 | 178.6 | 170.1 | 0 | 113.5 | N295 K301 | N295-K297 PolarHBondContact O-N 3.21Å; N295-K297 WeakPolarHBondContact OD1-CB 3.4Å; N295-K297 PolarHBondContact OD1-N 3.01Å; K297-K301 WeakPolarHBondContact O-CB 3.21Å; K297-K301 PolarHBondContact O-N 2.97Å |
| 298 | G | 76.9 | Confident | 61 | Low | 33 Ų | 33 | 117.9 Ų | 117.9 | 34% | 0.34 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -72.1 | -42.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N295 I296 K301 R302 | N295-G298 WeakPolarHBondContact O-CA 3.13Å; N295-G298 PolarHBondContact O-N 3.35Å; I296-G298 VanDerWaalsContact C-N 3.27Å; I296-G298 PolarHBondContact O-N 3.18Å; G298-K301 PolarHBondContact O-N 3.44Å; G298-R302 PolarHBondContact O-N 3.28Å; G298-R302 VanDerWaalsContact O-N 3.07Å |
| 299 | L | 79.6 | Confident | 61.9 | Low | 82 Ų | 82 | 118.5 Ų | 118.5 | 43% | 0.429 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62 | -51.6 | 171.5 | -78.9 | 163 | 0 | 0 | 0 | 111.1 | Q294 N295 I296 K301 R302 A303 | Q294-L299 HydrophobicContact CB-CD1 4.47Å; N295-L299 PolarHBondContact O-N 3.41Å; I296-L299 PolarHBondContact O-N 3.12Å; L299-K301 VanDerWaalsContact C-N 3.3Å; L299-K301 PolarHBondContact O-N 3.34Å; L299-R302 WeakPolarHBondContact O-CB 3.46Å; L299-R302 PolarHBondContact O-N 3.47Å; L299-A303 PolarHBondContact O-N 2.86Å |
| 300 | W | 79.5 | Confident | 63.1 | Low | 165 Ų | 165 | 117.6 Ų | 117.6 | 63% | 0.625 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -58.4 | -38.1 | 176.7 | -85.7 | 89 | 0 | 0 | 0 | 112.9 | I296 F304 | I296-W300 VanDerWaalsContact O-CD1 3.28Å; I296-W300 PolarHBondContact O-N 3.38Å; W300-F304 HydrophobicContact CE3-CD2 4Å; W300-F304 AromaticContact CE3-CE2 3.87Å; W300-F304 HydrophobicContact CE3-CE2 3.87Å; W300-F304 HydrophobicContact CZ3-CD2 4.49Å; W300-F304 AromaticContact CZ3-CE2 3.97Å; W300-F304 HydrophobicContact CZ3-CE2 3.97Å; W300-F304 WeakPolarHBondContact O-CB 3.1Å; W300-F304 PolarHBondContact O-N 3.47Å |
| 301 | K | 77.9 | Confident | 64.1 | Low | 148 Ų | 148 | 119.3 Ų | 119.3 | 64% | 0.643 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.1 | -42.2 | 172.3 | -101.8 | -165.4 | 169.6 | -165 | 0 | 112.5 | K297 G298 L299 H305 | K297-K301 WeakPolarHBondContact O-CB 3.21Å; K297-K301 PolarHBondContact O-N 2.97Å; G298-K301 PolarHBondContact O-N 3.44Å; L299-K301 VanDerWaalsContact C-N 3.3Å; L299-K301 PolarHBondContact O-N 3.34Å; K301-H305 PolarHBondContact O-CD2 3.48Å; K301-H305 PolarHBondContact O-N 2.84Å |
| 302 | R | 76.5 | Confident | 65.1 | Low | 184 Ų | 184 | 118.1 Ų | 118.1 | 69% | 0.694 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.5 | -51.6 | 179.8 | -131 | 179.5 | -71.5 | 177.3 | -4.8 | 110.3 | G298 L299 F304 H305 S306 | G298-R302 PolarHBondContact O-N 3.28Å; G298-R302 VanDerWaalsContact O-N 3.07Å; L299-R302 WeakPolarHBondContact O-CB 3.46Å; L299-R302 PolarHBondContact O-N 3.47Å; R302-F304 PolarHBondContact O-N 3.15Å; R302-H305 PolarHBondContact O-N 3.27Å; R302-S306 PolarHBondContact O-N 3.21Å; R302-S306 PolarHBondContact O-OG 3.13Å |
| 303 | A | 77 | Confident | 66.1 | Low | 48 Ų | 48 | 119.9 Ų | 119.9 | 40% | 0.397 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -57.6 | -44.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | L299 H305 S306 L307 | L299-A303 PolarHBondContact O-N 2.86Å; A303-H305 PolarHBondContact O-N 3.31Å; A303-S306 PolarHBondContact O-N 3.05Å; A303-L307 WeakPolarHBondContact O-CD1 3.24Å; A303-L307 PolarHBondContact O-N 3.43Å |
| 304 | F | 76.8 | Confident | 66.8 | Low | 114 Ų | 114 | 121.4 Ų | 121.4 | 50% | 0.5 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68 | -18.3 | 176.6 | -105.1 | -77.5 | 0 | 0 | 0 | 114.7 | W300 R302 R308 | W300-F304 HydrophobicContact CE3-CD2 4Å; W300-F304 AromaticContact CE3-CE2 3.87Å; W300-F304 HydrophobicContact CE3-CE2 3.87Å; W300-F304 HydrophobicContact CZ3-CD2 4.49Å; W300-F304 AromaticContact CZ3-CE2 3.97Å; W300-F304 HydrophobicContact CZ3-CE2 3.97Å; W300-F304 WeakPolarHBondContact O-CB 3.1Å; W300-F304 PolarHBondContact O-N 3.47Å; R302-F304 PolarHBondContact O-N 3.15Å; F304-R308 WeakPolarHBondContact O-CD 3.26Å; F304-R308 WeakPolarHBondContact O-CG 3.29Å |
| 305 | H | 73.7 | Confident | 66.5 | Low | 116 Ų | 116 | 119.4 Ų | 119.4 | 54% | 0.537 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -85.2 | -38.8 | 172 | -81.7 | -58.9 | 0 | 0 | 0 | 111.8 | K301 R302 A303 R308 K309 | K301-H305 PolarHBondContact O-CD2 3.48Å; K301-H305 PolarHBondContact O-N 2.84Å; R302-H305 PolarHBondContact O-N 3.27Å; A303-H305 PolarHBondContact O-N 3.31Å; H305-R308 PolarHBondContact O-N 3.09Å; H305-K309 PolarHBondContact O-N 3.5Å |
| 306 | S | 74.8 | Confident | 66.2 | Low | 64 Ų | 64 | 122.3 Ų | 122.3 | 45% | 0.448 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -58.5 | -54 | 172.3 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | R302 A303 R308 K309 D310 | R302-S306 PolarHBondContact O-N 3.21Å; R302-S306 PolarHBondContact O-OG 3.13Å; A303-S306 PolarHBondContact O-N 3.05Å; S306-R308 PolarHBondContact O-N 3.29Å; S306-K309 PolarHBondContact O-N 3.18Å; S306-D310 PolarHBondContact O-N 2.92Å |
| 307 | L | 68.2 | Low | 64.8 | Low | 113 Ų | 113 | 123.8 Ų | 123.8 | 59% | 0.592 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -59 | -6.3 | 178.4 | -98 | 88.5 | 0 | 0 | 0 | 115.6 | A303 | A303-L307 WeakPolarHBondContact O-CD1 3.24Å; A303-L307 PolarHBondContact O-N 3.43Å |
| 308 | R | 62.2 | Low | 63.4 | Low | 165 Ų | 165 | 123.6 Ų | 123.6 | 62% | 0.623 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -103.5 | -25.2 | 174.2 | -73 | -178.7 | -177.5 | -169.4 | 1.9 | 113.7 | F304 H305 S306 | F304-R308 WeakPolarHBondContact O-CD 3.26Å; F304-R308 WeakPolarHBondContact O-CG 3.29Å; H305-R308 PolarHBondContact O-N 3.09Å; S306-R308 PolarHBondContact O-N 3.29Å |
| 309 | K | 59.1 | Low | 61.6 | Low | 146 Ų | 146 | 133.3 Ų | 133.3 | 64% | 0.635 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -72.8 | -41.7 | 173.7 | -69.5 | -169.5 | 171.8 | -164.4 | 0 | 110.9 | H305 S306 K311 T312 | H305-K309 PolarHBondContact O-N 3.5Å; S306-K309 PolarHBondContact O-N 3.18Å; K309-K311 PolarHBondContact O-N 2.74Å; K309-T312 PolarHBondContact O-N 3.36Å; K309-T312 PolarHBondContact O-OG1 3.23Å |
| 310 | D | 53.9 | Low | 59.8 | Low | 97 Ų | 97 | 138.5 Ų | 138.5 | 52% | 0.519 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.3 | -6.5 | 178.4 | -50.6 | -24.4 | 0 | 0 | 0 | 114.7 | S306 | S306-D310 PolarHBondContact O-N 2.92Š|
| 311 | K | 54.2 | Low | 58 | Low | 168 Ų | 168 | 138.3 Ų | 138.3 | 73% | 0.73 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | -2.9 | 178.4 | -65.5 | -159.6 | 174.4 | -158.4 | 0 | 114.7 | K309 | K309-K311 PolarHBondContact O-N 2.74Š|
| 312 | T | 51.9 | Low | 55.8 | Low | 101 Ų | 101 | 138.9 Ų | 138.9 | 62% | 0.62 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | -24.4 | 177 | 40.5 | 0 | 0 | 0 | 0 | 113.8 | K309 | K309-T312 PolarHBondContact O-N 3.36Å; K309-T312 PolarHBondContact O-OG1 3.23Å |
| 313 | D | 51.6 | Low | 53.8 | Low | 103 Ų | 103 | 133.5 Ų | 133.5 | 55% | 0.551 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -89.1 | -7.3 | -177.5 | -64.1 | -43.5 | 0 | 0 | 0 | 114.3 | D315 | D313-D315 PolarHBondContact O-N 3.24Š|
| 314 | K | 50.1 | Low | 51.9 | Low | 153 Ų | 153 | 139.6 Ų | 139.6 | 67% | 0.665 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -14.5 | -174.9 | -72.5 | -162.7 | 175.1 | -166.8 | 0 | 115.7 | | |
| 315 | D | 45.3 | Very low | 49.9 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 63% | 0.626 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -8.1 | -178 | -71.9 | -47.9 | 0 | 0 | 0 | 114.5 | D313 | D313-D315 PolarHBondContact O-N 3.24Š|
| 316 | Q | 49 | Very low | 47.9 | Very low | 171 Ų | 171 | 143.7 Ų | 143.7 | 80% | 0.799 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -88.1 | -14 | 174.4 | -63.9 | -157.5 | 72.7 | 0 | 0 | 113.9 | K318 | Q316-K318 VanDerWaalsContact C-N 3.33Å; Q316-K318 PolarHBondContact O-N 3.27Å |
| 317 | I | 48.1 | Very low | 45.8 | Very low | 146 Ų | 146 | 147.1 Ų | 147.1 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -95.2 | 52.8 | -176.1 | -42.2 | 178.2 | 0 | 0 | 0 | 111.1 | | |
| 318 | K | 44.2 | Very low | 44 | Very low | 162 Ų | 162 | 147.7 Ų | 147.7 | 70% | 0.704 | 74% | 0.737 | S | S | * | * | | | trans | -135 | 15.1 | -178.2 | -79.3 | -175.7 | 177.4 | 167.2 | 0 | 115.3 | Q316 | Q316-K318 VanDerWaalsContact C-N 3.33Å; Q316-K318 PolarHBondContact O-N 3.27Å |
| 319 | R | 39.5 | Very low | 42.9 | Very low | 237 Ų | 237 | 145.6 Ų | 145.6 | 89% | 0.894 | 75% | 0.745 | S | S | * | * | | | trans | -139.7 | 72.2 | -179.7 | -61.1 | -172.3 | -165.9 | 174.7 | 5.9 | 113.8 | | |
| 320 | K | 41.9 | Very low | 42 | Very low | 190 Ų | 190 | 146.6 Ų | 146.6 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | | | trans | 176.6 | 108.3 | 150.5 | -100.8 | 168 | 179.7 | -173.8 | 0 | 107.3 | | |
| 321 | E | 41.8 | Very low | 41.4 | Very low | 161 Ų | 161 | 147.5 Ų | 147.5 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | | 100.9 | 96.7 | 61 | -178.5 | 168.8 | -143.7 | 0 | 0 | 111.1 | | |
| 322 | N | 32.4 | Very low | 41.1 | Very low | 161 Ų | 161 | 145 Ų | 145 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | | | trans | 33.8 | 110.7 | 146.7 | -52.6 | -19.8 | 0 | 0 | 0 | 119.3 | | |
| 323 | G | 34.9 | Very low | 40.4 | Very low | 71 Ų | 71 | 150 Ų | 150 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | | | trans | -174.8 | 64.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 324 | N | 36.7 | Very low | 40.6 | Very low | 175 Ų | 175 | 147.7 Ų | 147.7 | 94% | 0.936 | 78% | 0.779 | S | S | * | * | | | trans | 64.9 | 166.7 | 162.7 | -63.1 | -29.8 | 0 | 0 | 0 | 118.9 | | |
| 325 | Q | 33.5 | Very low | 40.9 | Very low | 196 Ų | 196 | 150.2 Ų | 150.2 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | | | trans | -97.7 | 143.7 | -170.8 | -57.9 | 175.7 | -0.5 | 0 | 0 | 112.8 | | |
| 326 | S | 32.5 | Very low | 42.2 | Very low | 120 Ų | 120 | 148.7 Ų | 148.7 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | -156.3 | 152.4 | 137.1 | -165.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 327 | T | 30.3 | Very low | 43.8 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | | | trans | -101.4 | 113.5 | -176.7 | 50.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 328 | D | 32 | Very low | 45.6 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 66% | 0.663 | 77% | 0.768 | S | S | * | * | | | trans | -159.9 | 128.3 | 156.4 | -157.7 | 8.8 | 0 | 0 | 0 | 109.9 | Q330 | D328-Q330 PolarHBondContact O-N 3.49Š|
| 329 | P | 38.3 | Very low | 47.5 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | | | trans | -76.1 | 60.5 | 172.3 | 32.9 | -37.3 | 0 | 0 | 0 | 111.3 | T331 | P329-T331 PolarHBondContact O-N 3.06Š|
| 330 | Q | 39.7 | Very low | 49.8 | Very low | 168 Ų | 168 | 133.7 Ų | 133.7 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | | | trans | -65.7 | 111.4 | -179.1 | -152.8 | 171.7 | 42.5 | 0 | 0 | 109.4 | D328 | D328-Q330 PolarHBondContact O-N 3.49Š|
| 331 | T | 42.3 | Very low | 51.8 | Low | 116 Ų | 116 | 129.7 Ų | 129.7 | 71% | 0.712 | 72% | 0.724 | S | S | * | * | | | trans | -65 | 124.6 | -172 | -62.7 | 0 | 0 | 0 | 0 | 109.7 | P329 E333 | P329-T331 PolarHBondContact O-N 3.06Å; T331-E333 PolarHBondContact O-N 3.48Å |
| 332 | P | 46.9 | Very low | 54 | Low | 115 Ų | 115 | 127.8 Ų | 127.8 | 75% | 0.747 | 72% | 0.719 | S | S | * | * | | | trans | -65.7 | 133.1 | 176.4 | 27.4 | -33.8 | 0 | 0 | 0 | 109.7 | G334 | P332-G334 PolarHBondContact O-N 2.95Š|
| 333 | E | 38.5 | Very low | 56.6 | Low | 206 Ų | 206 | 125.7 Ų | 125.7 | 96% | 0.963 | 71% | 0.706 | S | S | * | * | | | trans | -64 | 106.4 | 179.2 | -64.2 | -168.6 | 152 | 0 | 0 | 110.4 | T331 | T331-E333 PolarHBondContact O-N 3.48Š|
| 334 | G | 55 | Low | 59 | Low | 54 Ų | 54 | 129.4 Ų | 129.4 | 56% | 0.557 | 70% | 0.698 | S | S | * | * | | | trans | -154.5 | 143.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | P332 V336 | P332-G334 PolarHBondContact O-N 2.95Å; G334-V336 PolarHBondContact O-N 3.44Å |
| 335 | E | 57.3 | Low | 61.2 | Low | 207 Ų | 207 | 123.4 Ų | 123.4 | 97% | 0.967 | 67% | 0.67 | S | S | * | * | | | trans | -61.3 | 104.2 | -175.5 | -169.7 | 175.4 | -166.3 | 0 | 0 | 110.8 | D337 | E335-D337 PolarHBondContact O-N 3.25Š|
| 336 | V | 72.1 | Confident | 63.3 | Low | 85 Ų | 85 | 116.7 Ų | 116.7 | 52% | 0.515 | 65% | 0.648 | S | S | . | * | | | trans | -70.9 | 120.9 | -176.8 | -178.4 | 0 | 0 | 0 | 0 | 109.5 | G334 P338 Y340 H341 | G334-V336 PolarHBondContact O-N 3.44Å; V336-P338 WeakPolarHBondContact O-CD 3.38Å; V336-P338 VanDerWaalsContact O-N 3.16Å; V336-Y340 HydrophobicContact CG1-CD1 4.27Å; V336-H341 HydrophobicContact CG1-CB 4.19Å |
| 337 | D | 82.2 | Confident | 65.4 | Low | 90 Ų | 90 | 113.6 Ų | 113.6 | 48% | 0.481 | 63% | 0.63 | S | S | . | * | | | trans | -52.9 | 119.7 | 175.6 | 178.2 | -7.6 | 0 | 0 | 0 | 110.3 | E335 V339 Y340 H341 | E335-D337 PolarHBondContact O-N 3.25Å; D337-V339 PolarHBondContact O-N 3.18Å; D337-V339 WeakPolarHBondContact OD1-CB 3.15Å; D337-V339 PolarHBondContact OD1-N 3.24Å; D337-Y340 WeakPolarHBondContact O-CB 3.31Å; D337-Y340 PolarHBondContact O-N 3.13Å; D337-H341 PolarHBondContact O-N 3.13Å |
| 338 | P | 84.9 | Confident | 67.4 | Low | 100 Ų | 100 | 110.7 Ų | 110.7 | 65% | 0.649 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.5 | -24.1 | -179 | 25.5 | -34.8 | 0 | 0 | 0 | 112.8 | V336 L342 | V336-P338 WeakPolarHBondContact O-CD 3.38Å; V336-P338 VanDerWaalsContact O-N 3.16Å; P338-L342 WeakPolarHBondContact O-CB 3.46Å; P338-L342 PolarHBondContact O-N 3.33Å |
| 339 | V | 86.2 | Confident | 68.7 | Low | 88 Ų | 88 | 112.5 Ų | 112.5 | 53% | 0.533 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -71.5 | -43.7 | 173.8 | -175.1 | 0 | 0 | 0 | 0 | 110.5 | D337 L342 L343 | D337-V339 PolarHBondContact O-N 3.18Å; D337-V339 WeakPolarHBondContact OD1-CB 3.15Å; D337-V339 PolarHBondContact OD1-N 3.24Å; V339-L342 PolarHBondContact O-N 3.37Å; V339-L343 HydrophobicContact CG1-CD1 4.13Å; V339-L343 WeakPolarHBondContact O-CB 3.29Å; V339-L343 WeakPolarHBondContact O-CG 3.35Å; V339-L343 PolarHBondContact O-N 3.11Å |
| 340 | Y | 87 | Confident | 69.4 | Low | 123 Ų | 123 | 110.7 Ų | 110.7 | 48% | 0.482 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.7 | -44.6 | 173.4 | 176.9 | -101.3 | 0 | 0 | 0 | 111.1 | V336 D337 L342 L343 R344 | V336-Y340 HydrophobicContact CG1-CD1 4.27Å; D337-Y340 WeakPolarHBondContact O-CB 3.31Å; D337-Y340 PolarHBondContact O-N 3.13Å; Y340-L342 PolarHBondContact O-N 3.13Å; Y340-L343 PolarHBondContact O-N 2.92Å; Y340-R344 VanDerWaalsContact O-CB 3.27Å; Y340-R344 WeakPolarHBondContact O-CB 3.5Å; Y340-R344 PolarHBondContact O-N 3.43Å |
| 341 | H | 84.8 | Confident | 69.8 | Low | 105 Ų | 105 | 110.1 Ų | 110.1 | 49% | 0.486 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61.2 | -44.7 | 176.4 | -170.4 | 87.4 | 0 | 0 | 0 | 111.9 | V336 D337 R344 C345 | V336-H341 HydrophobicContact CG1-CB 4.19Å; D337-H341 PolarHBondContact O-N 3.13Å; H341-R344 PolarHBondContact O-N 2.93Å; H341-C345 PolarHBondContact NE2-SG 3.45Å; H341-C345 WeakPolarHBondContact O-CB 3.35Å; H341-C345 PolarHBondContact O-N 3.33Å; H341-C345 PolarHBondContact O-SG 2.88Å; H341-C345 VanDerWaalsContact O-SG 3.36Å |
| 342 | L | 86.4 | Confident | 69.7 | Low | 122 Ų | 122 | 109.9 Ų | 109.9 | 64% | 0.639 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.2 | -44.7 | 177.9 | -177.6 | 62.9 | 0 | 0 | 0 | 112.3 | P338 V339 Y340 C345 A346 | P338-L342 WeakPolarHBondContact O-CB 3.46Å; P338-L342 PolarHBondContact O-N 3.33Å; V339-L342 PolarHBondContact O-N 3.37Å; Y340-L342 PolarHBondContact O-N 3.13Å; L342-C345 PolarHBondContact O-N 3.33Å; L342-A346 WeakPolarHBondContact O-CB 3.47Å; L342-A346 PolarHBondContact O-N 3.13Å |
| 343 | L | 86.7 | Confident | 69.4 | Low | 116 Ų | 116 | 109.4 Ų | 109.4 | 61% | 0.607 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.9 | -41.3 | 176.4 | -73.6 | 170.2 | 0 | 0 | 0 | 111.8 | V339 Y340 A346 A347 | V339-L343 HydrophobicContact CG1-CD1 4.13Å; V339-L343 WeakPolarHBondContact O-CB 3.29Å; V339-L343 WeakPolarHBondContact O-CG 3.35Å; V339-L343 PolarHBondContact O-N 3.11Å; Y340-L343 PolarHBondContact O-N 2.92Å; L343-A346 PolarHBondContact O-N 3.4Å; L343-A347 WeakPolarHBondContact O-CB 3.38Å; L343-A347 PolarHBondContact O-N 3.37Å |
| 344 | R | 85.8 | Confident | 69.3 | Low | 149 Ų | 149 | 102.6 Ų | 102.6 | 56% | 0.562 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.1 | -46.9 | 175.5 | -162.1 | 179 | -157.5 | 177.5 | 7.6 | 111.1 | Y340 H341 A346 A347 S348 | Y340-R344 VanDerWaalsContact O-CB 3.27Å; Y340-R344 WeakPolarHBondContact O-CB 3.5Å; Y340-R344 PolarHBondContact O-N 3.43Å; H341-R344 PolarHBondContact O-N 2.93Å; R344-A346 VanDerWaalsContact C-N 3.34Å; R344-A346 PolarHBondContact O-N 2.89Å; R344-A347 PolarHBondContact O-N 2.9Å; R344-S348 WeakPolarHBondContact O-CB 3.43Å; R344-S348 PolarHBondContact O-N 2.96Å; R344-S348 PolarHBondContact O-OG 3.07Å; R344-S348 VanDerWaalsContact O-OG 3.13Å |
| 345 | C | 82.5 | Confident | 68.5 | Low | 49 Ų | 49 | 105.9 Ų | 105.9 | 33% | 0.331 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.9 | -33.8 | 176.3 | -75.3 | 0 | 0 | 0 | 0 | 113.2 | H341 L342 K349 | H341-C345 PolarHBondContact NE2-SG 3.45Å; H341-C345 WeakPolarHBondContact O-CB 3.35Å; H341-C345 PolarHBondContact O-N 3.33Å; H341-C345 PolarHBondContact O-SG 2.88Å; H341-C345 VanDerWaalsContact O-SG 3.36Å; L342-C345 PolarHBondContact O-N 3.33Å; C345-K349 WeakPolarHBondContact O-CB 3.3Å; C345-K349 VanDerWaalsContact O-CG 3.28Å; C345-K349 WeakPolarHBondContact O-CG 3.28Å; C345-K349 PolarHBondContact O-N 2.85Å; C345-K349 VanDerWaalsContact O-N 3.11Å |
| 346 | A | 77.7 | Confident | 67.6 | Low | 55 Ų | 55 | 100.1 Ų | 100.1 | 46% | 0.455 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.7 | -49.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L342 L343 R344 S348 K349 S350 | L342-A346 WeakPolarHBondContact O-CB 3.47Å; L342-A346 PolarHBondContact O-N 3.13Å; L343-A346 PolarHBondContact O-N 3.4Å; R344-A346 VanDerWaalsContact C-N 3.34Å; R344-A346 PolarHBondContact O-N 2.89Å; A346-S348 PolarHBondContact O-N 3.16Å; A346-K349 PolarHBondContact O-N 3.42Å; A346-K349 VanDerWaalsContact O-N 3.13Å; A346-S350 PolarHBondContact O-N 3.47Å; A346-S350 PolarHBondContact O-OG 3.49Å |
| 347 | A | 77.7 | Confident | 65.9 | Low | 56 Ų | 56 | 101.6 Ų | 101.6 | 46% | 0.463 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -59.5 | -43.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L343 R344 K349 S350 | L343-A347 WeakPolarHBondContact O-CB 3.38Å; L343-A347 PolarHBondContact O-N 3.37Å; R344-A347 PolarHBondContact O-N 2.9Å; A347-K349 PolarHBondContact O-N 3.42Å; A347-S350 WeakPolarHBondContact CA-OG 3.39Å; A347-S350 PolarHBondContact O-N 3.36Å; A347-S350 PolarHBondContact O-OG 3.41Å |
| 348 | S | 72.9 | Confident | 63.8 | Low | 76 Ų | 76 | 103 Ų | 103 | 53% | 0.531 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.4 | -36.5 | 174.8 | -62.6 | 0 | 0 | 0 | 0 | 112.7 | R344 A346 S350 | R344-S348 WeakPolarHBondContact O-CB 3.43Å; R344-S348 PolarHBondContact O-N 2.96Å; R344-S348 PolarHBondContact O-OG 3.07Å; R344-S348 VanDerWaalsContact O-OG 3.13Å; A346-S348 PolarHBondContact O-N 3.16Å; S348-S350 VanDerWaalsContact C-N 3.33Å; S348-S350 PolarHBondContact O-N 3.5Å |
| 349 | K | 57.4 | Low | 61.3 | Low | 161 Ų | 161 | 101.1 Ų | 101.1 | 70% | 0.7 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71.8 | -22.8 | 176.1 | -77.3 | 179.3 | 177.8 | -173.9 | 0 | 113.6 | C345 A346 A347 | C345-K349 WeakPolarHBondContact O-CB 3.3Å; C345-K349 VanDerWaalsContact O-CG 3.28Å; C345-K349 WeakPolarHBondContact O-CG 3.28Å; C345-K349 PolarHBondContact O-N 2.85Å; C345-K349 VanDerWaalsContact O-N 3.11Å; A346-K349 PolarHBondContact O-N 3.42Å; A346-K349 VanDerWaalsContact O-N 3.13Å; A347-K349 PolarHBondContact O-N 3.42Å |
| 350 | S | 53.2 | Low | 58.7 | Low | 84 Ų | 84 | 104.7 Ų | 104.7 | 59% | 0.587 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -77.4 | -14.6 | 178.1 | 40 | 0 | 0 | 0 | 0 | 115.6 | A346 A347 S348 | A346-S350 PolarHBondContact O-N 3.47Å; A346-S350 PolarHBondContact O-OG 3.49Å; A347-S350 WeakPolarHBondContact CA-OG 3.39Å; A347-S350 PolarHBondContact O-N 3.36Å; A347-S350 PolarHBondContact O-OG 3.41Å; S348-S350 VanDerWaalsContact C-N 3.33Å; S348-S350 PolarHBondContact O-N 3.5Å |
| 351 | Q | 49 | Very low | 56.2 | Low | 155 Ų | 155 | 107.5 Ų | 107.5 | 72% | 0.724 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -92.6 | -33.2 | 178 | -74.2 | -170.3 | -18.9 | 0 | 0 | 114 | T353 A354 | Q351-T353 VanDerWaalsContact C-N 3.25Å; Q351-T353 PolarHBondContact O-N 2.89Å; Q351-A354 PolarHBondContact O-N 3.32Å |
| 352 | T | 40.2 | Very low | 53.7 | Low | 112 Ų | 112 | 109.5 Ų | 109.5 | 69% | 0.687 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -65.6 | -25.8 | -175.1 | -41.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 353 | T | 39.8 | Very low | 51.2 | Low | 104 Ų | 104 | 108.6 Ų | 108.6 | 64% | 0.638 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -7.4 | -175.6 | -36.3 | 0 | 0 | 0 | 0 | 113.9 | Q351 | Q351-T353 VanDerWaalsContact C-N 3.25Å; Q351-T353 PolarHBondContact O-N 2.89Å |
| 354 | A | 36.5 | Very low | 48.6 | Very low | 63 Ų | 63 | 114.2 Ų | 114.2 | 52% | 0.521 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -88.2 | -19.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q351 | Q351-A354 PolarHBondContact O-N 3.32Š|
| 355 | V | 38.2 | Very low | 46.3 | Very low | 123 Ų | 123 | 113.9 Ų | 113.9 | 75% | 0.745 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -87.6 | -15.3 | -173.8 | -175.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 356 | A | 39.1 | Very low | 44 | Very low | 87 Ų | 87 | 118 Ų | 118 | 72% | 0.719 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -89.1 | -9.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 357 | T | 36.8 | Very low | 42.1 | Very low | 116 Ų | 116 | 121.2 Ų | 121.2 | 71% | 0.712 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -132.1 | 17.1 | -165.1 | 46.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 358 | T | 37.5 | Very low | 40 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 73% | 0.73 | 72% | 0.717 | S | S | * | * | | | trans | -127.4 | 139.3 | 153.5 | 55.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 359 | G | 32.9 | Very low | 38.3 | Very low | 61 Ų | 61 | 130 Ų | 130 | 63% | 0.629 | 73% | 0.73 | S | S | * | * | | | cis | 118.9 | 54.3 | 14.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | M361 | G359-M361 PolarHBondContact O-N 2.91Š|
| 360 | I | 31.7 | Very low | 37.4 | Very low | 162 Ų | 162 | 132.2 Ų | 132.2 | 83% | 0.831 | 74% | 0.74 | S | S | * | * | | | trans | 14.4 | 100.8 | 163.5 | -50 | 171.7 | 0 | 0 | 0 | 114.9 | | |
| 361 | M | 34.4 | Very low | 36.4 | Very low | 182 Ų | 182 | 133.4 Ų | 133.4 | 90% | 0.897 | 75% | 0.748 | S | S | * | * | | | trans | -148.1 | 141.5 | 153.6 | -117.9 | 177 | -69.2 | 0 | 0 | 112.2 | G359 | G359-M361 PolarHBondContact O-N 2.91Š|
| 362 | N | 31.3 | Very low | 36 | Very low | 147 Ų | 147 | 131.8 Ų | 131.8 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | | | trans | -84.7 | 138.6 | -170.6 | -65.8 | -81.9 | 0 | 0 | 0 | 112 | | |
| 363 | S | 33.2 | Very low | 35.7 | Very low | 104 Ų | 104 | 130.3 Ų | 130.3 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | trans | -121.1 | 100.4 | 156.5 | -172.3 | 0 | 0 | 0 | 0 | 109.7 | I365 | S363-I365 PolarHBondContact O-N 2.82Š|
| 364 | R | 32.3 | Very low | 35.7 | Very low | 233 Ų | 233 | 130.9 Ų | 130.9 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | | | trans | -81.7 | 99.5 | 170.4 | -71.4 | -178.4 | -178.2 | 168.9 | 0.4 | 108.8 | | |
| 365 | I | 38.1 | Very low | 35.7 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | | | trans | -102.6 | 113.6 | 164.7 | -57 | -177.5 | 0 | 0 | 0 | 107.6 | S363 T367 | S363-I365 PolarHBondContact O-N 2.82Å; I365-T367 HydrophobicContact CG2-CG2 4.38Å |
| 366 | N | 33.8 | Very low | 35.5 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | -119.8 | 82.3 | -167.4 | -166.5 | -1.7 | 0 | 0 | 0 | 110.1 | | |
| 367 | T | 39.2 | Very low | 35.2 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | trans | -100.2 | 89 | -176.4 | 37 | 0 | 0 | 0 | 0 | 111.5 | I365 T369 | I365-T367 HydrophobicContact CG2-CG2 4.38Å; T367-T369 PolarHBondContact O-N 3.19Å |
| 368 | K | 33.2 | Very low | 35.1 | Very low | 185 Ų | 185 | 136.2 Ų | 136.2 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | -73.9 | 120.1 | 174.6 | -68.2 | -179.1 | 177.1 | -178.8 | 0 | 111.9 | | |
| 369 | T | 37.5 | Very low | 34.9 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | | | trans | -133.3 | 104.4 | 158 | 41.9 | 0 | 0 | 0 | 0 | 111.8 | T367 | T367-T369 PolarHBondContact O-N 3.19Š|
| 370 | K | 37.4 | Very low | 35 | Very low | 206 Ų | 206 | 138.1 Ų | 138.1 | 90% | 0.896 | 77% | 0.772 | S | S | * | * | | | trans | 21.8 | 148.7 | 142.4 | -59 | 175.7 | -178.4 | 178.4 | 0 | 120.2 | | |
| 371 | S | 33.2 | Very low | 35.2 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | | | cis | 170 | 117.8 | -14.4 | 167.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 372 | S | 39.2 | Very low | 35.1 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | | | trans | -157.4 | 93.8 | 157.2 | 57.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 373 | A | 33.6 | Very low | 35.4 | Very low | 82 Ų | 82 | 133.6 Ų | 133.6 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | | | trans | -77.3 | 178.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 374 | P | 41.2 | Very low | 35.4 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | | | cis | -133.2 | -178.3 | 44.3 | 19 | 7.8 | 0 | 0 | 0 | 113.7 | | |
| 375 | D | 35 | Very low | 35.3 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 68% | 0.679 | 75% | 0.75 | S | S | * | * | | | cis | -166.2 | 162.1 | -26.2 | -103.2 | -27 | 0 | 0 | 0 | 110.4 | | |
| 376 | T | 35.5 | Very low | 35.3 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 82% | 0.816 | 76% | 0.756 | S | S | * | * | | | trans | 61.2 | 150.4 | 156.3 | 52.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 377 | S | 32.3 | Very low | 35.1 | Very low | 96 Ų | 96 | 134.4 Ų | 134.4 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | | | cis | -160.2 | 155.1 | -13.3 | 44.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 378 | I | 34 | Very low | 35.1 | Very low | 145 Ų | 145 | 135.8 Ų | 135.8 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | | | | 170.6 | 120.7 | 100.7 | -86.8 | 168.6 | 0 | 0 | 0 | 104.4 | | |
| 379 | T | 34.5 | Very low | 35.3 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | | 67.1 | 128.4 | 83.2 | -47.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 380 | S | 33.9 | Very low | 35.1 | Very low | 97 Ų | 97 | 134 Ų | 134 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | | | cis | -167.9 | -165.1 | -0.4 | 51.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 381 | S | 37.2 | Very low | 35 | Very low | 98 Ų | 98 | 130 Ų | 130 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | | | trans | 73.3 | 130.4 | 166.9 | 20.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 382 | N | 31.9 | Very low | 35 | Very low | 137 Ų | 137 | 135 Ų | 135 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | | | | 76.9 | 141.4 | 57.5 | -68.4 | 34.4 | 0 | 0 | 0 | 111.8 | | |
| 383 | E | 37.2 | Very low | 34.8 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | | | cis | -155.2 | -167.2 | 5.7 | -132.2 | 163.7 | 123.4 | 0 | 0 | 114.1 | | |
| 384 | F | 32.5 | Very low | 34.9 | Very low | 193 Ų | 193 | 138.6 Ų | 138.6 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | | | trans | -39.4 | 131 | 178.9 | -88.7 | -125.2 | 0 | 0 | 0 | 118.4 | | |
| 385 | G | 31.3 | Very low | 34.5 | Very low | 62 Ų | 62 | 141.7 Ų | 141.7 | 64% | 0.639 | 76% | 0.758 | S | S | * | * | | | | 62.9 | 118.2 | 107.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 386 | Q | 38.5 | Very low | 34.4 | Very low | 182 Ų | 182 | 142.2 Ų | 142.2 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | | | trans | -163.5 | 128.4 | 138.2 | -99.8 | 145.8 | 106.5 | 0 | 0 | 107 | | |
| 387 | F | 29.9 | Very low | 34.4 | Very low | 195 Ų | 195 | 141.7 Ų | 141.7 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | | | | 81.9 | 146.4 | 63.4 | -94 | -73 | 0 | 0 | 0 | 114.7 | | |
| 388 | L | 39.1 | Very low | 34.4 | Very low | 152 Ų | 152 | 147.8 Ų | 147.8 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | | | trans | 74.7 | 128.7 | -171.1 | -48.3 | 173.1 | 0 | 0 | 0 | 112.4 | | |
| 389 | K | 37.3 | Very low | 34.5 | Very low | 191 Ų | 191 | 147 Ų | 147 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | | | cis | 61.3 | 132.7 | 46.8 | -67.2 | -172.2 | 172.2 | -175.6 | 0 | 112.3 | | |
| 390 | S | 31.9 | Very low | 34.3 | Very low | 89 Ų | 89 | 144.8 Ų | 144.8 | 62% | 0.622 | 78% | 0.778 | S | S | * | * | | | cis | -156.8 | -179.1 | -8.2 | 35.4 | 0 | 0 | 0 | 0 | 106.5 | | |
| 391 | D | 36.6 | Very low | 34.4 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 65% | 0.652 | 78% | 0.783 | S | S | * | * | | | cis | -171.7 | 176.8 | 49.4 | -97.3 | -62.8 | 0 | 0 | 0 | 111.1 | | |
| 392 | Y | 32.5 | Very low | 34 | Very low | 215 Ų | 215 | 148.2 Ų | 148.2 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | | | trans | -11.7 | 143 | 163.2 | -58.8 | -95.1 | 0 | 0 | 0 | 117.9 | | |
| 393 | S | 34.8 | Very low | 34.2 | Very low | 118 Ų | 118 | 148.7 Ų | 148.7 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | cis | -154.9 | 154.7 | 46.3 | 57 | 0 | 0 | 0 | 0 | 116.2 | | |
| 394 | E | 36.3 | Very low | 34 | Very low | 159 Ų | 159 | 149.2 Ų | 149.2 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | | | trans | -83.7 | 134.7 | 175.3 | 171.2 | -177.7 | -148.4 | 0 | 0 | 112.5 | | |
| 395 | M | 32.9 | Very low | 34.1 | Very low | 181 Ų | 181 | 148.3 Ų | 148.3 | 89% | 0.892 | 80% | 0.795 | S | S | * | * | | | trans | -155.4 | 133.3 | 152.2 | -95.3 | -54.2 | 131.5 | 0 | 0 | 111.3 | | |
| 396 | N | 32.5 | Very low | 34 | Very low | 137 Ų | 137 | 154.9 Ų | 154.9 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | | | trans | -84.9 | 143.3 | 171.3 | -66.3 | -68.1 | 0 | 0 | 0 | 111 | | |
| 397 | S | 35.7 | Very low | 33.8 | Very low | 123 Ų | 123 | 150.5 Ų | 150.5 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | -158.8 | 151.2 | 158.4 | -84.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 398 | Y | 31.7 | Very low | 33.7 | Very low | 223 Ų | 223 | 146.6 Ų | 146.6 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | | | trans | -74.9 | 156.2 | -175.7 | -93.1 | -119 | 0 | 0 | 0 | 113.2 | G400 | Y398-G400 PolarHBondContact O-N 3.33Š|
| 399 | P | 36.8 | Very low | 33.4 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -76.2 | 119.8 | 171.6 | 31.1 | -32.6 | 0 | 0 | 0 | 110.7 | | |
| 400 | G | 30.9 | Very low | 33.2 | Very low | 77 Ų | 77 | 141.3 Ų | 141.3 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | trans | 153.5 | 37.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | Y398 | Y398-G400 PolarHBondContact O-N 3.33Š|
| 401 | S | 34.3 | Very low | 33.3 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | trans | -148.9 | 120.8 | 165.7 | 48.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 402 | I | 30.5 | Very low | 32.9 | Very low | 156 Ų | 156 | 143.3 Ų | 143.3 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | | | trans | 15 | 118 | 136 | -40.1 | 168.8 | 0 | 0 | 0 | 116.4 | | |
| 403 | L | 34.5 | Very low | 33 | Very low | 147 Ų | 147 | 139.6 Ų | 139.6 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | | | | -173.9 | 134.3 | 125.5 | -103.7 | 159.4 | 0 | 0 | 0 | 112.9 | Q405 | L403-Q405 PolarHBondContact O-N 2.99Å; L403-Q405 VanDerWaalsContact O-N 3.13Å |
| 404 | L | 34.1 | Very low | 33 | Very low | 171 Ų | 171 | 143.3 Ų | 143.3 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | | | trans | -75.6 | 93.3 | 164.6 | -76.3 | 78.8 | 0 | 0 | 0 | 109 | | |
| 405 | Q | 34.9 | Very low | 32.9 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | | | trans | -84.1 | 118.4 | 165.9 | -77.1 | -164.8 | -8.3 | 0 | 0 | 111.1 | L403 A407 | L403-Q405 PolarHBondContact O-N 2.99Å; L403-Q405 VanDerWaalsContact O-N 3.13Å; Q405-A407 PolarHBondContact O-N 3.38Å; Q405-A407 VanDerWaalsContact O-N 3.13Å |
| 406 | K | 29.5 | Very low | 32.8 | Very low | 200 Ų | 200 | 138.7 Ų | 138.7 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | | | trans | -68.5 | 100.9 | 166.3 | -72.1 | 175.9 | 175.2 | 175.6 | 0 | 109.5 | S408 | K406-S408 PolarHBondContact O-N 2.77Š|
| 407 | A | 32.9 | Very low | 33 | Very low | 90 Ų | 90 | 141 Ų | 141 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | | | trans | -84.3 | 83.2 | 165 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q405 T409 | Q405-A407 PolarHBondContact O-N 3.38Å; Q405-A407 VanDerWaalsContact O-N 3.13Å; A407-T409 PolarHBondContact O-N 3.05Å |
| 408 | S | 29.2 | Very low | 33.3 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | | | trans | -73 | 100 | 168.8 | -67 | 0 | 0 | 0 | 0 | 109.9 | K406 | K406-S408 PolarHBondContact O-N 2.77Š|
| 409 | T | 32.8 | Very low | 33.8 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | trans | -108.6 | 101.7 | 169.1 | 48.9 | 0 | 0 | 0 | 0 | 110.5 | A407 | A407-T409 PolarHBondContact O-N 3.05Š|
| 410 | S | 31.7 | Very low | 34.2 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | -67.5 | 128.2 | 174.2 | 49.3 | 0 | 0 | 0 | 0 | 111.4 | T412 | S410-T412 PolarHBondContact O-N 2.95Š|
| 411 | V | 34.3 | Very low | 34.5 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | | | trans | -85.1 | 92.5 | 169 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | L413 | V411-L413 HydrophobicContact CG1-CD1 4.29Å; V411-L413 HydrophobicContact CG1-CG 4.21Å |
| 412 | T | 28.8 | Very low | 34.6 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | | | trans | -72.3 | 125 | 175.6 | -35.6 | 0 | 0 | 0 | 0 | 109.8 | S410 | S410-T412 PolarHBondContact O-N 2.95Š|
| 413 | L | 34.6 | Very low | 35 | Very low | 137 Ų | 137 | 145.6 Ų | 145.6 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | | | trans | -137.4 | 107.2 | 175.8 | -81.2 | 176.7 | 0 | 0 | 0 | 112.4 | V411 | V411-L413 HydrophobicContact CG1-CD1 4.29Å; V411-L413 HydrophobicContact CG1-CG 4.21Å |
| 414 | K | 33.4 | Very low | 35.1 | Very low | 196 Ų | 196 | 145.3 Ų | 145.3 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | | | trans | 68.1 | 157.7 | 162 | -61.2 | -170 | 176.1 | -169.7 | 0 | 116.9 | | |
| 415 | P | 34.8 | Very low | 35.4 | Very low | 101 Ų | 101 | 143.6 Ų | 143.6 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | | | cis | -133.6 | -170.1 | -42.6 | 39.5 | -24.1 | 0 | 0 | 0 | 111.2 | | |
| 416 | N | 31.7 | Very low | 35.7 | Very low | 141 Ų | 141 | 143.7 Ų | 143.7 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | | | trans | 34.3 | 115.4 | 151.5 | -54.4 | -1.6 | 0 | 0 | 0 | 118.7 | | |
| 417 | E | 37.1 | Very low | 36.2 | Very low | 187 Ų | 187 | 141.2 Ų | 141.2 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | | | | -166.2 | 162.5 | 102.4 | -104.3 | 161.5 | -160.9 | 0 | 0 | 112.5 | | |
| 418 | S | 40.4 | Very low | 36.7 | Very low | 109 Ų | 109 | 142.7 Ų | 142.7 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | | | trans | -43.3 | 162.9 | 169.6 | 41.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 419 | D | 42.8 | Very low | 37.3 | Very low | 141 Ų | 141 | 145.8 Ų | 145.8 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | | | cis | -178.4 | -159.5 | -12.1 | -173.5 | 35.9 | 0 | 0 | 0 | 105.9 | | |
| 420 | P | 45.5 | Very low | 37.6 | Very low | 94 Ų | 94 | 143.1 Ų | 143.1 | 61% | 0.61 | 75% | 0.749 | S | S | * | * | | | | -92.2 | 164.8 | -97 | 33.6 | -23.8 | 0 | 0 | 0 | 115.1 | | |
| 421 | R | 37.3 | Very low | 38 | Very low | 251 Ų | 251 | 144.7 Ų | 144.7 | 95% | 0.947 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -110.3 | 86 | 149.4 | -80.9 | -169.2 | -178.6 | 177.2 | 1.6 | 110.7 | | |
| 422 | R | 36.9 | Very low | 38.5 | Very low | 226 Ų | 226 | 144.4 Ų | 144.4 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | | | trans | 177.1 | 151.7 | 138.7 | -103.8 | 171.4 | 173.6 | 169 | -2.9 | 110.8 | | |
| 423 | P | 38.1 | Very low | 38.9 | Very low | 94 Ų | 94 | 144.6 Ų | 144.6 | 61% | 0.61 | 74% | 0.739 | S | S | * | * | | | trans | -80.4 | 158.6 | 160.3 | 39.2 | -35.3 | 0 | 0 | 0 | 109.8 | | |
| 424 | D | 36.9 | Very low | 39.3 | Very low | 141 Ų | 141 | 145.1 Ų | 145.1 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | | | trans | 64.9 | 145 | 159.2 | -40.7 | -34.7 | 0 | 0 | 0 | 116.1 | | |
| 425 | E | 39.7 | Very low | 39.6 | Very low | 134 Ų | 134 | 141.4 Ų | 141.4 | 63% | 0.626 | 73% | 0.732 | S | S | * | * | | | cis | -165.8 | 155.6 | -3.9 | -125.2 | 178.8 | 156.5 | 0 | 0 | 108.6 | | |
| 426 | Y | 41.2 | Very low | 39.8 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 69% | 0.694 | 73% | 0.733 | S | S | * | * | | | trans | 61.6 | 130 | 164.5 | -53.2 | -60.3 | 0 | 0 | 0 | 123.2 | | |
| 427 | L | 40.3 | Very low | 40.5 | Very low | 147 Ų | 147 | 142.2 Ų | 142.2 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | | | trans | 42.6 | 156.2 | 134.4 | -76.6 | 87.9 | 0 | 0 | 0 | 123.1 | | |
| 428 | L | 43.3 | Very low | 40.9 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 63% | 0.634 | 72% | 0.715 | S | S | * | * | | | cis | -177.7 | 142.3 | -28.1 | -166.3 | 71.5 | 0 | 0 | 0 | 108.4 | | |
| 429 | E | 41.3 | Very low | 41 | Very low | 179 Ų | 179 | 139.8 Ų | 139.8 | 84% | 0.836 | 71% | 0.712 | S | S | * | * | | | trans | 54.3 | 175 | 157.7 | -79 | 156.3 | -155.3 | 0 | 0 | 119.3 | | |
| 430 | G | 40.3 | Very low | 41 | Very low | 72 Ų | 72 | 137.8 Ų | 137.8 | 74% | 0.742 | 70% | 0.701 | S | S | * | * | | | trans | 149.4 | 4.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 431 | D | 39.9 | Very low | 40.7 | Very low | 137 Ų | 137 | 140.1 Ų | 140.1 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | | | trans | 16.1 | 144.5 | 139.7 | -110.2 | 37.2 | 0 | 0 | 0 | 121.8 | | |
| 432 | N | 43.8 | Very low | 40.9 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 66% | 0.658 | 69% | 0.694 | S | S | * | * | | | trans | 73.5 | 153 | 146.3 | -61.9 | -33 | 0 | 0 | 0 | 118.8 | | |
| 433 | N | 38.3 | Very low | 41.1 | Very low | 128 Ų | 128 | 131 Ų | 131 | 68% | 0.684 | 69% | 0.69 | S | S | * | * | | | cis | -162.9 | -162.2 | -18.4 | -118.5 | -38.5 | 0 | 0 | 0 | 109.4 | | |
| 434 | L | 41.9 | Very low | 41.2 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 78% | 0.775 | 70% | 0.699 | S | S | * | * | | | trans | 86.3 | 137.6 | 165.4 | -46.7 | 170.2 | 0 | 0 | 0 | 114.2 | | |
| 435 | N | 39.6 | Very low | 41.4 | Very low | 119 Ų | 119 | 136 Ų | 136 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | | | cis | -160.9 | 144.1 | -3 | -124 | -4.3 | 0 | 0 | 0 | 113.7 | | |
| 436 | I | 40.4 | Very low | 41.7 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 68% | 0.677 | 70% | 0.701 | S | S | * | * | | | trans | 56.2 | 140.2 | 131.8 | -74.6 | 174.5 | 0 | 0 | 0 | 121.5 | | |
| 437 | I | 45.8 | Very low | 41.7 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 65% | 0.651 | 70% | 0.703 | S | S | * | * | | | cis | -170.9 | 148.1 | -23.8 | -148 | 172.2 | 0 | 0 | 0 | 110.8 | | |
| 438 | N | 46 | Very low | 41.7 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 61% | 0.61 | 70% | 0.703 | S | S | * | * | | | trans | 58.1 | 171.1 | 154.9 | -75.3 | -21.4 | 0 | 0 | 0 | 120.3 | N440 | N438-N440 PolarHBondContact OD1-ND2 3.3Š|
| 439 | N | 40.9 | Very low | 41.6 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 70% | 0.695 | 71% | 0.71 | S | S | * | * | | | cis | -131.5 | 130.3 | -2.8 | -103 | -35.1 | 0 | 0 | 0 | 107.6 | | |
| 440 | N | 43.8 | Very low | 41.5 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 54% | 0.535 | 70% | 0.703 | S | S | . | * | | | | 79.8 | 114.3 | 67.2 | -78.3 | -41.5 | 0 | 0 | 0 | 116.2 | N438 | N438-N440 PolarHBondContact OD1-ND2 3.3Š|
| 441 | N | 39.2 | Very low | 41.4 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 76% | 0.759 | 70% | 0.701 | S | S | * | * | | | | 151.4 | 128.9 | 122 | -79.3 | -49.8 | 0 | 0 | 0 | 110.6 | | |
| 442 | N | 40.7 | Very low | 41.5 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 64% | 0.642 | 70% | 0.704 | S | S | * | * | | | cis | 106.2 | 103.2 | 32.5 | -87.5 | -43.3 | 0 | 0 | 0 | 112.1 | | |
| 443 | Q | 42.3 | Very low | 41 | Very low | 166 Ų | 166 | 137.4 Ų | 137.4 | 78% | 0.776 | 71% | 0.712 | S | S | * | * | | | | -177.3 | 125.7 | 129.8 | -97.1 | 156.5 | 94.3 | 0 | 0 | 109.6 | | |
| 444 | R | 39.3 | Very low | 41 | Very low | 211 Ų | 211 | 142 Ų | 142 | 80% | 0.796 | 72% | 0.719 | S | S | * | * | | | | 62.4 | 137.7 | 87.9 | -64.4 | -172.6 | -168 | 171.4 | 0.3 | 113.9 | | |
| 445 | N | 41.4 | Very low | 40.9 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 68% | 0.684 | 72% | 0.72 | S | S | * | * | | | cis | -171.3 | 149.3 | -10.7 | -110.1 | -6.4 | 0 | 0 | 0 | 110.9 | | |
| 446 | K | 45.4 | Very low | 40.7 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 73% | 0.726 | 73% | 0.726 | S | S | * | * | | | trans | 66.1 | 158.6 | 148.8 | -68.2 | -174.6 | 170.3 | -164.6 | 0 | 122.5 | | |
| 447 | E | 41.4 | Very low | 40.6 | Very low | 161 Ų | 161 | 147.8 Ų | 147.8 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | | | trans | 69.4 | 141.1 | 156 | -74.1 | 147.7 | -131.1 | 0 | 0 | 118.1 | | |
| 448 | V | 40.3 | Very low | 40 | Very low | 127 Ų | 127 | 150.8 Ų | 150.8 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | | | cis | -149.5 | -177.2 | -6.8 | 98.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 449 | E | 41.4 | Very low | 39.7 | Very low | 164 Ų | 164 | 155.2 Ų | 155.2 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | | | trans | -79 | 168.8 | -156.5 | -56 | 151.6 | 116 | 0 | 0 | 119.1 | | |
| 450 | S | 40.2 | Very low | 39.2 | Very low | 100 Ų | 100 | 154.3 Ų | 154.3 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | | | trans | 74.9 | 134.5 | 155.1 | 80.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 451 | N | 37.5 | Very low | 38.8 | Very low | 131 Ų | 131 | 156.1 Ų | 156.1 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | cis | -147.5 | 148.5 | 31 | -79.9 | -81.2 | 0 | 0 | 0 | 114.7 | | |
| 452 | I | 42.2 | Very low | 38.6 | Very low | 154 Ų | 154 | 158.9 Ų | 158.9 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | trans | 23.1 | 125.3 | 135.2 | -53.6 | 166.3 | 0 | 0 | 0 | 116.6 | | |
| 453 | S | 33.8 | Very low | 38.4 | Very low | 117 Ų | 117 | 158.7 Ų | 158.7 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | cis | -138 | 174.5 | 35.6 | -159.3 | 0 | 0 | 0 | 0 | 115 | | |
| 454 | R | 38.7 | Very low | 37.8 | Very low | 224 Ų | 224 | 158.5 Ų | 158.5 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | trans | -99.8 | 145 | -161.7 | -70 | 177.7 | 177 | 157.3 | -0.2 | 115 | | |
| 455 | F | 38.9 | Very low | 37.6 | Very low | 182 Ų | 182 | 155 Ų | 155 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | | | trans | 36.5 | 125.6 | 131.6 | -74.8 | -112.8 | 0 | 0 | 0 | 119 | | |
| 456 | N | 35.5 | Very low | 37.1 | Very low | 140 Ų | 140 | 156.6 Ų | 156.6 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | | | | 55.6 | 106.3 | 70.9 | -72.9 | -16.9 | 0 | 0 | 0 | 114.2 | | |
| 457 | E | 37.6 | Very low | 36.7 | Very low | 198 Ų | 198 | 156.4 Ų | 156.4 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | | | | -162.1 | 139.8 | 105.5 | -106.2 | -172.2 | 165.1 | 0 | 0 | 111.3 | | |
| 458 | Q | 34.6 | Very low | 36.2 | Very low | 190 Ų | 190 | 154 Ų | 154 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | | | trans | -101.3 | 118.9 | 171.5 | -72.5 | -176.8 | -7.4 | 0 | 0 | 110 | | |
| 459 | K | 38.3 | Very low | 35.9 | Very low | 208 Ų | 208 | 153 Ų | 153 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | | | trans | -167 | 128.4 | 150.4 | -107.4 | 146.9 | -169.9 | 171 | 0 | 113 | | |
| 460 | S | 31.9 | Very low | 35.5 | Very low | 111 Ų | 111 | 153 Ų | 153 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | | | trans | 36.5 | 111.9 | 147.5 | 175.1 | 0 | 0 | 0 | 0 | 119.6 | | |
| 461 | V | 35.3 | Very low | 35.5 | Very low | 137 Ų | 137 | 155.2 Ų | 155.2 | 83% | 0.83 | 82% | 0.821 | S | S | * | * | | | | -159 | 157.1 | 115.3 | 132.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 462 | K | 33.8 | Very low | 35.5 | Very low | 200 Ų | 200 | 159 Ų | 159 | 87% | 0.87 | 83% | 0.831 | S | S | * | * | | | trans | -81.6 | 134.4 | -179.3 | -51.9 | 163.1 | -177.2 | 172.2 | 0 | 111.5 | | |
| 463 | S | 37.1 | Very low | 35.3 | Very low | 117 Ų | 117 | 159.4 Ų | 159.4 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | | | trans | -169.8 | 153.9 | 136.8 | 52.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 464 | N | 30.5 | Very low | 35.1 | Very low | 161 Ų | 161 | 159 Ų | 159 | 86% | 0.861 | 83% | 0.831 | S | S | * | * | | | trans | -84.6 | 146.9 | 177.2 | -52 | -42.5 | 0 | 0 | 0 | 110.6 | | |
| 465 | V | 33.4 | Very low | 35.1 | Very low | 139 Ų | 139 | 154.1 Ų | 154.1 | 84% | 0.842 | 83% | 0.829 | S | S | * | * | | | trans | -165.3 | 141.9 | 134.5 | 134.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 466 | L | 31.7 | Very low | 35 | Very low | 161 Ų | 161 | 154.3 Ų | 154.3 | 84% | 0.843 | 83% | 0.832 | S | S | * | * | | | trans | -88.9 | 132.5 | 179.3 | -70.9 | 159.1 | 0 | 0 | 0 | 111.2 | | |
| 467 | I | 36.8 | Very low | 34.9 | Very low | 163 Ų | 163 | 156.9 Ų | 156.9 | 84% | 0.836 | 84% | 0.836 | S | S | * | * | | | trans | -133.9 | 125 | 150.5 | -59.1 | -177.5 | 0 | 0 | 0 | 107.4 | | |
| 468 | S | 30 | Very low | 34.9 | Very low | 110 Ų | 110 | 153.1 Ų | 153.1 | 77% | 0.769 | 83% | 0.829 | S | S | * | * | | | trans | -105.4 | 140.3 | -178.6 | 46.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 469 | S | 35.6 | Very low | 34.6 | Very low | 107 Ų | 107 | 151.1 Ų | 151.1 | 75% | 0.748 | 83% | 0.83 | S | S | * | * | | | trans | -134.5 | 120.8 | 170.8 | 50 | 0 | 0 | 0 | 0 | 109.8 | I471 | S469-I471 PolarHBondContact O-N 3.45Š|
| 470 | N | 32.9 | Very low | 34.5 | Very low | 163 Ų | 163 | 145 Ų | 145 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | | | trans | -81.1 | 118.2 | -177.2 | -69.2 | -56.5 | 0 | 0 | 0 | 110.7 | | |
| 471 | I | 40.5 | Very low | 34.8 | Very low | 147 Ų | 147 | 147.9 Ų | 147.9 | 75% | 0.754 | 82% | 0.819 | S | S | * | * | | | trans | -114.6 | 115.9 | 163 | -59.9 | -179.2 | 0 | 0 | 0 | 107.7 | S469 L473 | S469-I471 PolarHBondContact O-N 3.45Å; I471-L473 PolarHBondContact O-N 3Å |
| 472 | K | 36.6 | Very low | 34.6 | Very low | 209 Ų | 209 | 149.7 Ų | 149.7 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | | | trans | -71.3 | 107.3 | 175.9 | -74.9 | -179.8 | 174.4 | 179.2 | 0 | 109.6 | | |
| 473 | L | 37.3 | Very low | 34.7 | Very low | 163 Ų | 163 | 149.3 Ų | 149.3 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | | | trans | -85.6 | 138 | 161.2 | -76.4 | 166.7 | 0 | 0 | 0 | 109.6 | I471 | I471-L473 PolarHBondContact O-N 3Š|
| 474 | S | 30.8 | Very low | 34.5 | Very low | 108 Ų | 108 | 150.6 Ų | 150.6 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | | | trans | -78.3 | 142.4 | -176.7 | -168.3 | 0 | 0 | 0 | 0 | 111.4 | Q476 | S474-Q476 PolarHBondContact O-N 3Š|
| 475 | P | 39 | Very low | 35.2 | Very low | 123 Ų | 123 | 148.8 Ų | 148.8 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | | | trans | -66.3 | 98.4 | 174.7 | -19.5 | 32.8 | 0 | 0 | 0 | 111.8 | K477 | P475-K477 PolarHBondContact O-N 2.94Š|
| 476 | Q | 35.9 | Very low | 35.8 | Very low | 185 Ų | 185 | 145.7 Ų | 145.7 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 120.9 | 171.9 | -165.6 | 168.3 | 8.3 | 0 | 0 | 109 | S474 P478 | S474-Q476 PolarHBondContact O-N 3Å; Q476-P478 VanDerWaalsContact O-CD 3.29Å; Q476-P478 WeakPolarHBondContact O-CD 3.49Å |
| 477 | K | 32.5 | Very low | 36.9 | Very low | 195 Ų | 195 | 142.7 Ų | 142.7 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 120.2 | -171.7 | -67.6 | -178.4 | 177.8 | -178.4 | 0 | 112.2 | P475 | P475-K477 PolarHBondContact O-N 2.94Š|
| 478 | P | 39.1 | Very low | 38.1 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 142.6 | 161.2 | 33.3 | -31.6 | 0 | 0 | 0 | 110.1 | Q476 | Q476-P478 VanDerWaalsContact O-CD 3.29Å; Q476-P478 WeakPolarHBondContact O-CD 3.49Å |
| 479 | V | 27.9 | Very low | 40.1 | Very low | 149 Ų | 149 | 141 Ų | 141 | 90% | 0.903 | 76% | 0.757 | S | S | * | * | | | trans | -102.3 | 108.5 | 168.3 | 176.1 | 0 | 0 | 0 | 0 | 107.6 | | |
| 480 | A | 36.2 | Very low | 41.7 | Very low | 79 Ų | 79 | 139.2 Ų | 139.2 | 65% | 0.653 | 75% | 0.749 | S | S | * | * | | | trans | -150.8 | 107.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 481 | E | 37.1 | Very low | 43.6 | Very low | 171 Ų | 171 | 137.5 Ų | 137.5 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | | | | 98.1 | 99.3 | 80.2 | -85.6 | 178.7 | 166.9 | 0 | 0 | 112.8 | Q483 | E481-Q483 PolarHBondContact O-N 3Š|
| 482 | Q | 31.5 | Very low | 45.4 | Very low | 175 Ų | 175 | 135.3 Ų | 135.3 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | | | trans | 57.5 | 49.8 | 147.7 | -51.5 | -170.9 | 29.8 | 0 | 0 | 119.3 | I484 | Q482-I484 PolarHBondContact O-N 3.29Š|
| 483 | Q | 35.7 | Very low | 47.3 | Very low | 192 Ų | 192 | 128 Ų | 128 | 90% | 0.897 | 70% | 0.703 | S | S | * | * | | | trans | -74.3 | 66.8 | 151.3 | -75.3 | -166 | -1.8 | 0 | 0 | 111.6 | E481 | E481-Q483 PolarHBondContact O-N 3Š|
| 484 | I | 34.7 | Very low | 49.2 | Very low | 145 Ų | 145 | 127.9 Ų | 127.9 | 74% | 0.744 | 69% | 0.693 | S | S | * | * | | | trans | -100.3 | 69.4 | 161.8 | -51.9 | -178.3 | 0 | 0 | 0 | 107.3 | Q482 N486 | Q482-I484 PolarHBondContact O-N 3.29Å; I484-N486 PolarHBondContact O-N 3.07Å; I484-N486 VanDerWaalsContact O-N 3.13Å |
| 485 | V | 43.5 | Very low | 51.5 | Low | 122 Ų | 122 | 125.1 Ų | 125.1 | 74% | 0.739 | 67% | 0.668 | S | S | * | * | | | trans | -66.5 | 113.8 | 168.7 | 177.6 | 0 | 0 | 0 | 0 | 106.9 | V487 | V485-V487 PolarHBondContact O-N 3.36Š|
| 486 | N | 47.3 | Very low | 53.3 | Low | 74 Ų | 74 | 124.4 Ų | 124.4 | 40% | 0.396 | 65% | 0.654 | S | S | . | * | | | trans | -71.1 | 87.3 | -165.9 | -163.6 | 11.5 | 0 | 0 | 0 | 110.8 | I484 N488 E489 | I484-N486 PolarHBondContact O-N 3.07Å; I484-N486 VanDerWaalsContact O-N 3.13Å; N486-N488 PolarHBondContact O-N 3.32Å; N486-N488 VanDerWaalsContact O-N 3.15Å; N486-E489 HydrophobicContact CB-CB 3.91Å; N486-E489 PolarHBondContact ND2-OE2 3.06Å; N486-E489 VanDerWaalsContact O-CB 3.29Å; N486-E489 WeakPolarHBondContact O-CB 3.41Å; N486-E489 PolarHBondContact O-N 3.07Å |
| 487 | V | 54 | Low | 55.2 | Low | 98 Ų | 98 | 121.7 Ų | 121.7 | 59% | 0.594 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -52.6 | -38.7 | 179.6 | -179.7 | 0 | 0 | 0 | 0 | 110.8 | V485 E489 A490 E491 | V485-V487 PolarHBondContact O-N 3.36Å; V487-E489 PolarHBondContact O-N 2.92Å; V487-A490 PolarHBondContact O-N 3.3Å; V487-E491 PolarHBondContact O-N 3.06Å |
| 488 | N | 61.9 | Low | 57.4 | Low | 114 Ų | 114 | 118.5 Ų | 118.5 | 61% | 0.61 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -55.6 | -32.3 | 174.7 | -58.5 | -25.3 | 0 | 0 | 0 | 113.2 | N486 L492 | N486-N488 PolarHBondContact O-N 3.32Å; N486-N488 VanDerWaalsContact O-N 3.15Å; N488-L492 VanDerWaalsContact O-CB 3.29Å; N488-L492 WeakPolarHBondContact O-CB 3.33Å; N488-L492 PolarHBondContact O-N 3.29Å |
| 489 | E | 72.3 | Confident | 58.8 | Low | 124 Ų | 124 | 121 Ų | 121 | 58% | 0.579 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -77.1 | -37.2 | -177.4 | -169.3 | 172.2 | 163.6 | 0 | 0 | 112.3 | N486 V487 E491 L492 A493 | N486-E489 HydrophobicContact CB-CB 3.91Å; N486-E489 PolarHBondContact ND2-OE2 3.06Å; N486-E489 VanDerWaalsContact O-CB 3.29Å; N486-E489 WeakPolarHBondContact O-CB 3.41Å; N486-E489 PolarHBondContact O-N 3.07Å; V487-E489 PolarHBondContact O-N 2.92Å; E489-E491 VanDerWaalsContact C-N 3.34Å; E489-L492 PolarHBondContact O-N 2.82Å; E489-A493 WeakPolarHBondContact O-CB 3.27Å; E489-A493 PolarHBondContact O-N 3.19Å |
| 490 | A | 69.3 | Low | 60.4 | Low | 70 Ų | 70 | 121 Ų | 121 | 58% | 0.579 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.9 | -40.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V487 Y494 | V487-A490 PolarHBondContact O-N 3.3Å; A490-Y494 WeakPolarHBondContact O-CB 3.44Å; A490-Y494 PolarHBondContact O-N 3.15Å |
| 491 | E | 73.4 | Confident | 61.2 | Low | 127 Ų | 127 | 122.5 Ų | 122.5 | 59% | 0.593 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68.1 | -38.8 | 172.3 | -66.4 | -166 | 163.9 | 0 | 0 | 112.3 | V487 E489 A493 Y494 E495 | V487-E491 PolarHBondContact O-N 3.06Å; E489-E491 VanDerWaalsContact C-N 3.34Å; E491-A493 PolarHBondContact O-N 3.39Å; E491-Y494 PolarHBondContact O-N 2.86Å; E491-E495 PolarHBondContact O-N 3.03Å |
| 492 | L | 76.9 | Confident | 61.5 | Low | 100 Ų | 100 | 118.9 Ų | 118.9 | 52% | 0.524 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.1 | -43.5 | 175.2 | -144.3 | 84.1 | 0 | 0 | 0 | 110.9 | N488 E489 E495 Q496 | N488-L492 VanDerWaalsContact O-CB 3.29Å; N488-L492 WeakPolarHBondContact O-CB 3.33Å; N488-L492 PolarHBondContact O-N 3.29Å; E489-L492 PolarHBondContact O-N 2.82Å; L492-E495 PolarHBondContact O-N 3.04Å; L492-Q496 VanDerWaalsContact O-CB 3.24Å; L492-Q496 WeakPolarHBondContact O-CB 3.37Å; L492-Q496 VanDerWaalsContact O-CG 3.26Å; L492-Q496 WeakPolarHBondContact O-CG 3.29Å; L492-Q496 PolarHBondContact O-N 3.34Å |
| 493 | A | 76.7 | Confident | 61.9 | Low | 55 Ų | 55 | 120.1 Ų | 120.1 | 46% | 0.455 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.6 | -39.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E489 E491 Q496 H497 | E489-A493 WeakPolarHBondContact O-CB 3.27Å; E489-A493 PolarHBondContact O-N 3.19Å; E491-A493 PolarHBondContact O-N 3.39Å; A493-Q496 PolarHBondContact O-N 3.27Å; A493-H497 WeakPolarHBondContact O-CB 3.49Å; A493-H497 PolarHBondContact O-N 3.4Å |
| 494 | Y | 78.4 | Confident | 62.2 | Low | 161 Ų | 161 | 120.4 Ų | 120.4 | 63% | 0.631 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.5 | -47.7 | 174.9 | -178.9 | -99.1 | 0 | 0 | 0 | 112.4 | A490 E491 H497 K498 | A490-Y494 WeakPolarHBondContact O-CB 3.44Å; A490-Y494 PolarHBondContact O-N 3.15Å; E491-Y494 PolarHBondContact O-N 2.86Å; Y494-H497 PolarHBondContact O-N 3.21Å; Y494-K498 WeakPolarHBondContact O-CB 3.33Å; Y494-K498 PolarHBondContact O-N 3.5Å |
| 495 | E | 79 | Confident | 62.7 | Low | 51 Ų | 51 | 123.1 Ų | 123.1 | 24% | 0.238 | 61% | 0.606 | C | S | . | * | H | α-helix | trans | -67.3 | -33.7 | 174.7 | -84.3 | -65.7 | 135.1 | 0 | 0 | 112.6 | E491 L492 K498 R499 | E491-E495 PolarHBondContact O-N 3.03Å; L492-E495 PolarHBondContact O-N 3.04Å; E495-K498 PolarHBondContact O-N 3.39Å; E495-K498 VanDerWaalsContact OE1-CD 3.31Å; E495-K498 WeakPolarHBondContact OE1-CD 3.34Å; E495-K498 WeakPolarHBondContact OE1-CE 3.48Å; E495-K498 IonicContact OE1-NZ 2.65Å; E495-K498 PolarHBondContact OE1-NZ 3Å; E495-K498 IonicContact OE2-NZ 2.85Å; E495-R499 WeakPolarHBondContact O-CB 3.21Å; E495-R499 WeakPolarHBondContact O-CD 3.37Å; E495-R499 WeakPolarHBondContact O-CG 3.49Å; E495-R499 PolarHBondContact O-N 3.28Å; E495-R499 IonicContact OE2-CZ 3.4Å; E495-R499 IonicContact OE2-NE 3.44Å; E495-R499 PolarHBondContact OE2-NE 3.42Å; E495-R499 IonicContact OE2-NH2 2.77Å; E495-R499 PolarHBondContact OE2-NH2 3.07Å |
| 496 | Q | 76.3 | Confident | 62.5 | Low | 107 Ų | 107 | 122.7 Ų | 122.7 | 50% | 0.5 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.4 | -49.9 | 170.3 | -81.4 | -173 | 11.7 | 0 | 0 | 110.6 | L492 A493 K498 R499 M500 | L492-Q496 VanDerWaalsContact O-CB 3.24Å; L492-Q496 WeakPolarHBondContact O-CB 3.37Å; L492-Q496 VanDerWaalsContact O-CG 3.26Å; L492-Q496 WeakPolarHBondContact O-CG 3.29Å; L492-Q496 PolarHBondContact O-N 3.34Å; A493-Q496 PolarHBondContact O-N 3.27Å; Q496-K498 PolarHBondContact O-N 3.25Å; Q496-R499 CarbonylContact O-C 3.56Å; Q496-R499 PolarHBondContact O-N 2.95Å; Q496-M500 WeakPolarHBondContact O-CB 3.48Å; Q496-M500 WeakPolarHBondContact O-CG 3.46Å; Q496-M500 PolarHBondContact O-N 2.99Å |
| 497 | H | 75.5 | Confident | 61.9 | Low | 129 Ų | 129 | 126.4 Ų | 126.4 | 60% | 0.597 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -58.8 | -35.1 | 177.3 | -178.8 | -107.5 | 0 | 0 | 0 | 112.6 | A493 Y494 | A493-H497 WeakPolarHBondContact O-CB 3.49Å; A493-H497 PolarHBondContact O-N 3.4Å; Y494-H497 PolarHBondContact O-N 3.21Å |
| 498 | K | 78 | Confident | 61.2 | Low | 128 Ų | 128 | 132.2 Ų | 132.2 | 56% | 0.557 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.3 | -32.7 | 174.2 | 179.9 | 179.6 | 164.2 | -166 | 0 | 113.4 | Y494 E495 Q496 | Y494-K498 WeakPolarHBondContact O-CB 3.33Å; Y494-K498 PolarHBondContact O-N 3.5Å; E495-K498 PolarHBondContact O-N 3.39Å; E495-K498 VanDerWaalsContact OE1-CD 3.31Å; E495-K498 WeakPolarHBondContact OE1-CD 3.34Å; E495-K498 WeakPolarHBondContact OE1-CE 3.48Å; E495-K498 IonicContact OE1-NZ 2.65Å; E495-K498 PolarHBondContact OE1-NZ 3Å; E495-K498 IonicContact OE2-NZ 2.85Å; Q496-K498 PolarHBondContact O-N 3.25Å |
| 499 | R | 68.5 | Low | 59.9 | Low | 170 Ų | 170 | 132 Ų | 132 | 64% | 0.642 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -83.5 | -35.5 | 174.9 | -68.7 | 164.3 | -164.8 | 158.6 | 8.4 | 112.5 | E495 Q496 N501 | E495-R499 WeakPolarHBondContact O-CB 3.21Å; E495-R499 WeakPolarHBondContact O-CD 3.37Å; E495-R499 WeakPolarHBondContact O-CG 3.49Å; E495-R499 PolarHBondContact O-N 3.28Å; E495-R499 IonicContact OE2-CZ 3.4Å; E495-R499 IonicContact OE2-NE 3.44Å; E495-R499 PolarHBondContact OE2-NE 3.42Å; E495-R499 IonicContact OE2-NH2 2.77Å; E495-R499 PolarHBondContact OE2-NH2 3.07Å; Q496-R499 CarbonylContact O-C 3.56Å; Q496-R499 PolarHBondContact O-N 2.95Å; R499-N501 PolarHBondContact O-N 2.87Å; R499-N501 VanDerWaalsContact O-N 3.08Å |
| 500 | M | 61.7 | Low | 58.3 | Low | 150 Ų | 150 | 133.3 Ų | 133.3 | 74% | 0.739 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -75 | 20.2 | 175.4 | -68.6 | -84.2 | -78.7 | 0 | 0 | 113 | Q496 P502 | Q496-M500 WeakPolarHBondContact O-CB 3.48Å; Q496-M500 WeakPolarHBondContact O-CG 3.46Å; Q496-M500 PolarHBondContact O-N 2.99Å; M500-P502 WeakPolarHBondContact O-CD 3.39Å |
| 501 | N | 52.9 | Low | 56.9 | Low | 110 Ų | 110 | 139 Ų | 139 | 59% | 0.588 | 67% | 0.668 | S | S | * | * | | | trans | -110 | 55.2 | 176.5 | -141.2 | -66.2 | 0 | 0 | 0 | 113.1 | R499 R503 | R499-N501 PolarHBondContact O-N 2.87Å; R499-N501 VanDerWaalsContact O-N 3.08Å; N501-R503 PolarHBondContact O-N 2.83Å |
| 502 | P | 44.3 | Very low | 55.2 | Low | 95 Ų | 95 | 142.8 Ų | 142.8 | 62% | 0.617 | 68% | 0.682 | S | S | * | * | | | trans | -75 | 124.4 | 178.1 | 32.1 | -34.1 | 0 | 0 | 0 | 111.9 | M500 | M500-P502 WeakPolarHBondContact O-CD 3.39Š|
| 503 | R | 38.7 | Very low | 53.2 | Low | 201 Ų | 201 | 143 Ų | 143 | 76% | 0.758 | 69% | 0.692 | S | S | * | * | | | trans | 71 | 59.1 | 142.4 | -52 | 165 | 76.6 | 169.7 | 5.9 | 118.1 | N501 | N501-R503 PolarHBondContact O-N 2.83Š|
| 504 | Q | 43.5 | Very low | 51.2 | Low | 198 Ų | 198 | 145.2 Ų | 145.2 | 93% | 0.925 | 70% | 0.702 | S | S | * | * | | | trans | -98.3 | 29.1 | 147.4 | -72.8 | -157.1 | -1 | 0 | 0 | 113.9 | | |
| 505 | K | 44.6 | Very low | 49.1 | Very low | 201 Ų | 201 | 141.2 Ų | 141.2 | 87% | 0.874 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -114.9 | 80.4 | 167.8 | -76.1 | -177.7 | 179.8 | 169.9 | 0 | 111.3 | | |
| 506 | T | 38.9 | Very low | 47 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | | | trans | 48.3 | 94.2 | 153.3 | -44.9 | 0 | 0 | 0 | 0 | 117.1 | R508 | T506-R508 HydrophobicContact CG2-CB 4.16Å; T506-R508 HydrophobicContact CG2-CG 3.9Å; T506-R508 PolarHBondContact O-N 3.28Å |
| 507 | L | 35 | Very low | 44.9 | Very low | 152 Ų | 152 | 150 Ų | 150 | 80% | 0.796 | 75% | 0.748 | S | S | * | * | | | trans | -62.9 | 99.3 | 152.9 | -79.6 | 165.2 | 0 | 0 | 0 | 109.7 | | |
| 508 | R | 39.7 | Very low | 43.1 | Very low | 220 Ų | 220 | 149.7 Ų | 149.7 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | | | trans | -134.4 | 87.6 | 159.4 | -84.4 | -167.4 | 172.9 | -164.1 | -2.9 | 109.8 | T506 N510 | T506-R508 HydrophobicContact CG2-CB 4.16Å; T506-R508 HydrophobicContact CG2-CG 3.9Å; T506-R508 PolarHBondContact O-N 3.28Å; R508-N510 PolarHBondContact O-N 3Å; R508-N510 VanDerWaalsContact O-N 3.1Å |
| 509 | S | 33.6 | Very low | 41 | Very low | 110 Ų | 110 | 151.1 Ų | 151.1 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | | | trans | -74 | 88.9 | 175.2 | 51.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 510 | N | 39.5 | Very low | 39.7 | Very low | 150 Ų | 150 | 150.1 Ų | 150.1 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | | | trans | -87.6 | 102 | 158.9 | -76.3 | 11.6 | 0 | 0 | 0 | 107.8 | R508 K512 | R508-N510 PolarHBondContact O-N 3Å; R508-N510 VanDerWaalsContact O-N 3.1Å; N510-K512 PolarHBondContact O-N 3Å |
| 511 | Q | 40.3 | Very low | 38.4 | Very low | 191 Ų | 191 | 153.3 Ų | 153.3 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | | | trans | -60.3 | 122.2 | 172.6 | -71.3 | 174 | -46.4 | 0 | 0 | 109.4 | S513 | Q511-S513 PolarHBondContact O-N 2.86Š|
| 512 | K | 36.9 | Very low | 37.7 | Very low | 205 Ų | 205 | 152.7 Ų | 152.7 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | | | trans | -80.7 | 107.8 | 159.9 | -71.9 | -174 | 175.8 | -175.3 | 0 | 107.5 | N510 | N510-K512 PolarHBondContact O-N 3Š|
| 513 | S | 35.7 | Very low | 37.5 | Very low | 104 Ų | 104 | 157.8 Ų | 157.8 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | trans | -69.1 | 149.1 | 157 | 50.1 | 0 | 0 | 0 | 0 | 109.4 | Q511 G515 | Q511-S513 PolarHBondContact O-N 2.86Å; S513-G515 PolarHBondContact O-N 3.15Å |
| 514 | P | 34.5 | Very low | 37.2 | Very low | 102 Ų | 102 | 154 Ų | 154 | 66% | 0.662 | 79% | 0.794 | S | S | * | * | | | trans | -72.9 | 121.9 | 179.7 | -11.7 | 27.8 | 0 | 0 | 0 | 110.3 | F516 | P514-F516 HydrophobicContact CB-CD2 3.93Å; P514-F516 HydrophobicContact CB-CE2 3.8Å; P514-F516 HydrophobicContact CG-CE2 4.3Å; P514-F516 PolarHBondContact O-N 2.88Å |
| 515 | G | 34.7 | Very low | 36.9 | Very low | 77 Ų | 77 | 149.9 Ų | 149.9 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | | | trans | -79.8 | 91.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | S513 | S513-G515 PolarHBondContact O-N 3.15Š|
| 516 | F | 34.7 | Very low | 36.2 | Very low | 179 Ų | 179 | 149.4 Ų | 149.4 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | -66.4 | 139.6 | 169.9 | -84.6 | -91.2 | 0 | 0 | 0 | 109.9 | P514 | P514-F516 HydrophobicContact CB-CD2 3.93Å; P514-F516 HydrophobicContact CB-CE2 3.8Å; P514-F516 HydrophobicContact CG-CE2 4.3Å; P514-F516 PolarHBondContact O-N 2.88Å |
| 517 | H | 32.1 | Very low | 36.1 | Very low | 165 Ų | 165 | 151 Ų | 151 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | | | trans | -69.5 | 141.9 | 161.3 | -85.8 | -125.1 | 0 | 0 | 0 | 109.1 | | |
| 518 | T | 38.2 | Very low | 36 | Very low | 121 Ų | 121 | 146.3 Ų | 146.3 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | | | trans | -131.3 | 121 | 153.6 | -55 | 0 | 0 | 0 | 0 | 105.9 | | |
| 519 | E | 34 | Very low | 35.7 | Very low | 159 Ų | 159 | 143.2 Ų | 143.2 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | | | trans | -93.4 | 128.3 | 175.4 | -59.8 | -179.7 | 150.2 | 0 | 0 | 108.4 | | |
| 520 | D | 40.7 | Very low | 35.8 | Very low | 148 Ų | 148 | 148 Ų | 148 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | | | trans | -148.7 | 77.4 | 164 | -88 | -51.8 | 0 | 0 | 0 | 106.1 | | |
| 521 | Y | 34.1 | Very low | 35.8 | Very low | 217 Ų | 217 | 146.2 Ų | 146.2 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | | 76.9 | 130.3 | 101.4 | -124.7 | -101.8 | 0 | 0 | 0 | 114.6 | | |
| 522 | P | 37.8 | Very low | 35.8 | Very low | 98 Ų | 98 | 146.4 Ų | 146.4 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | | | trans | -90.7 | 157.9 | -166.3 | 36.1 | -36.6 | 0 | 0 | 0 | 113.5 | | |
| 523 | Q | 39.4 | Very low | 36.2 | Very low | 201 Ų | 201 | 143.4 Ų | 143.4 | 94% | 0.939 | 76% | 0.764 | S | S | * | * | | | trans | -124.6 | 115.9 | 162.5 | -130.6 | 175 | 4.6 | 0 | 0 | 111.4 | | |
| 524 | T | 32.6 | Very low | 36.6 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | trans | -106.9 | 125.3 | -177.5 | 50.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 525 | S | 37 | Very low | 37.1 | Very low | 110 Ų | 110 | 147 Ų | 147 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | | | trans | 176.8 | 121.1 | 149.3 | 48.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 526 | F | 31.7 | Very low | 37.6 | Very low | 191 Ų | 191 | 147.6 Ų | 147.6 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | | | | 68.6 | 135.3 | 62.4 | -87.8 | -82.3 | 0 | 0 | 0 | 115.1 | | |
| 527 | T | 37 | Very low | 38.1 | Very low | 147 Ų | 147 | 148.6 Ų | 148.6 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | | | trans | 64.8 | 149.3 | -179.9 | 68.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 528 | G | 31.8 | Very low | 38.5 | Very low | 55 Ų | 55 | 145.6 Ų | 145.6 | 57% | 0.567 | 75% | 0.753 | S | S | * | * | | | cis | 167.1 | 126.4 | -9.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 529 | D | 32.8 | Very low | 38.6 | Very low | 155 Ų | 155 | 149 Ų | 149 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | | | trans | 60.2 | 167.5 | 159.8 | -53.1 | -35.7 | 0 | 0 | 0 | 121.3 | | |
| 530 | Y | 36.4 | Very low | 38.8 | Very low | 210 Ų | 210 | 146.8 Ų | 146.8 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | | | trans | 113.3 | 61.2 | 168.4 | -62.1 | -69.7 | 0 | 0 | 0 | 120.5 | | |
| 531 | T | 39.1 | Very low | 38.7 | Very low | 113 Ų | 113 | 145.1 Ų | 145.1 | 69% | 0.693 | 75% | 0.754 | S | S | * | * | | | | 60.2 | 99.1 | 101.3 | -52.3 | 0 | 0 | 0 | 0 | 120.5 | | |
| 532 | Y | 41.4 | Very low | 39.2 | Very low | 195 Ų | 195 | 139.8 Ų | 139.8 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | | | | 88.1 | 171.5 | 119.9 | -130.6 | -92.6 | 0 | 0 | 0 | 122.3 | | |
| 533 | E | 44.2 | Very low | 39.3 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 66% | 0.659 | 75% | 0.746 | S | S | * | * | | | trans | 68.6 | 139 | 179.6 | -37 | -62.8 | 147.3 | 0 | 0 | 115.1 | | |
| 534 | N | 44.5 | Very low | 39.5 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 66% | 0.663 | 73% | 0.734 | S | S | * | * | | | cis | -165 | 174.3 | -14.5 | -108.5 | -19.1 | 0 | 0 | 0 | 108.4 | | |
| 535 | E | 44.3 | Very low | 39.9 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | | | cis | -152.8 | 175.5 | 5.3 | -124.3 | -128.8 | 128.2 | 0 | 0 | 109.1 | | |
| 536 | P | 46.9 | Very low | 40.3 | Very low | 89 Ų | 89 | 140.9 Ų | 140.9 | 58% | 0.578 | 73% | 0.728 | S | S | * | * | | | trans | -111.6 | -178.7 | -166.7 | 42.2 | -34.4 | 0 | 0 | 0 | 116.1 | | |
| 537 | K | 43.5 | Very low | 40.9 | Very low | 200 Ų | 200 | 136.5 Ų | 136.5 | 87% | 0.87 | 72% | 0.719 | S | S | * | * | | | trans | -163.8 | 124.8 | 146 | -112.2 | 149.8 | -169.3 | 159.6 | 0 | 114.9 | | |
| 538 | P | 41.8 | Very low | 40.9 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 66% | 0.656 | 71% | 0.714 | S | S | * | * | | | trans | -102.2 | 176.6 | 168.4 | 40 | -33.9 | 0 | 0 | 0 | 112.4 | | |
| 539 | F | 40.4 | Very low | 41.3 | Very low | 192 Ų | 192 | 144.4 Ų | 144.4 | 84% | 0.842 | 73% | 0.727 | S | S | * | * | | | | -177.2 | -177.1 | 126.7 | -109 | -74.3 | 0 | 0 | 0 | 112.7 | | |
| 540 | T | 37.7 | Very low | 41.6 | Very low | 113 Ų | 113 | 144.5 Ų | 144.5 | 69% | 0.693 | 73% | 0.727 | S | S | * | * | | | trans | -133.9 | 155.7 | -152.7 | 53.7 | 0 | 0 | 0 | 0 | 115.7 | | |
| 541 | C | 38.4 | Very low | 41.7 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | | | trans | -155.3 | 119.5 | 136.8 | -97.9 | 0 | 0 | 0 | 0 | 107.7 | | |
| 542 | T | 44.3 | Very low | 41.9 | Very low | 105 Ų | 105 | 144.1 Ų | 144.1 | 64% | 0.644 | 73% | 0.732 | S | S | * | * | | | | 63 | 146.7 | 82.7 | 86.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 543 | D | 41.2 | Very low | 41.6 | Very low | 125 Ų | 125 | 139 Ų | 139 | 67% | 0.668 | 73% | 0.725 | S | S | * | * | | | cis | -153.6 | 164.9 | 24.2 | -107.3 | -50 | 0 | 0 | 0 | 114.6 | | |
| 544 | E | 41.9 | Very low | 41.3 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 69% | 0.687 | 73% | 0.733 | S | S | * | * | | | trans | 52.2 | 140.9 | 141.7 | -67 | -74.9 | 89.9 | 0 | 0 | 122.2 | | |
| 545 | V | 42.3 | Very low | 41.1 | Very low | 95 Ų | 95 | 143.1 Ų | 143.1 | 58% | 0.576 | 74% | 0.737 | S | S | * | * | | | cis | -153.5 | 139.7 | -5.4 | -134.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 546 | K | 44.6 | Very low | 41.1 | Very low | 187 Ų | 187 | 140.3 Ų | 140.3 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | | | trans | 57.8 | 161.1 | 137.7 | -79 | 166.2 | -166.4 | 146.2 | 0 | 123.6 | | |
| 547 | P | 44.4 | Very low | 40.6 | Very low | 100 Ų | 100 | 145.4 Ų | 145.4 | 65% | 0.649 | 75% | 0.746 | S | S | * | * | | | trans | -141.5 | -167.9 | -144.4 | 46.6 | -28 | 0 | 0 | 0 | 117.4 | | |
| 548 | H | 36.8 | Very low | 40.3 | Very low | 176 Ų | 176 | 140.4 Ų | 140.4 | 82% | 0.815 | 74% | 0.736 | S | S | * | * | | | trans | 54.9 | 122.3 | 154 | -71 | -62.6 | 0 | 0 | 0 | 120.9 | | |
| 549 | K | 39.9 | Very low | 40.1 | Very low | 191 Ų | 191 | 145.2 Ų | 145.2 | 83% | 0.83 | 75% | 0.747 | S | S | * | * | | | | -170 | 132.3 | 117.8 | -105.1 | 165.1 | -177.3 | 177.2 | 0 | 115 | | |
| 550 | L | 39.5 | Very low | 39.7 | Very low | 158 Ų | 158 | 140.5 Ų | 140.5 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | | | trans | 58.9 | 123.5 | 142.6 | -63.4 | 163.1 | 0 | 0 | 0 | 122.3 | | |
| 551 | F | 38.6 | Very low | 39.7 | Very low | 197 Ų | 197 | 141.4 Ų | 141.4 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | | | trans | -69.5 | 162.3 | 154.8 | -65.4 | -89.7 | 0 | 0 | 0 | 111.2 | | |
| 552 | P | 43.2 | Very low | 39.8 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | | | | -148.7 | 129.1 | 84 | 35.5 | -15.3 | 0 | 0 | 0 | 118.2 | | |
| 553 | S | 34.4 | Very low | 39.6 | Very low | 87 Ų | 87 | 143.1 Ų | 143.1 | 61% | 0.608 | 75% | 0.747 | S | S | * | * | | | trans | 45.2 | 138.5 | 131.4 | 73.4 | 0 | 0 | 0 | 0 | 125.7 | | |
| 554 | Y | 38.9 | Very low | 39.4 | Very low | 211 Ų | 211 | 147.8 Ų | 147.8 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | | | trans | 67.4 | 150.1 | 153.2 | -63.1 | -56.5 | 0 | 0 | 0 | 118.9 | | |
| 555 | N | 40.9 | Very low | 39.2 | Very low | 141 Ų | 141 | 147.6 Ų | 147.6 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | | | cis | -141.8 | -177.5 | -0.6 | -126.4 | -7.6 | 0 | 0 | 0 | 109.8 | | |
| 556 | P | 44.2 | Very low | 38.9 | Very low | 99 Ų | 99 | 147.6 Ų | 147.6 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | | | trans | -116.1 | 169.3 | -149.7 | 43.3 | -34.3 | 0 | 0 | 0 | 115.5 | | |
| 557 | K | 36.6 | Very low | 38.4 | Very low | 196 Ų | 196 | 150.6 Ų | 150.6 | 85% | 0.852 | 77% | 0.769 | S | S | * | * | | | | 177.7 | 152.8 | 128.6 | -96.1 | 155 | -174 | 178.1 | 0 | 113.5 | | |
| 558 | S | 36.7 | Very low | 38.1 | Very low | 96 Ų | 96 | 154.5 Ų | 154.5 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | | | trans | 69.8 | 123.8 | 152.6 | 65.7 | 0 | 0 | 0 | 0 | 122.1 | | |
| 559 | F | 37.2 | Very low | 38 | Very low | 201 Ų | 201 | 155.6 Ų | 155.6 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | | | trans | 56.3 | 134.8 | 147.5 | -59.5 | -56.2 | 0 | 0 | 0 | 119.9 | | |
| 560 | S | 32.1 | Very low | 37.9 | Very low | 94 Ų | 94 | 154.6 Ų | 154.6 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | | | cis | -154.8 | 161 | 3.5 | -82.5 | 0 | 0 | 0 | 0 | 111 | | |
| 561 | P | 38.6 | Very low | 37.7 | Very low | 131 Ų | 131 | 153.9 Ų | 153.9 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | | | trans | -83.4 | 153.3 | 175.6 | 33.8 | -34.8 | 0 | 0 | 0 | 114 | | |
| 562 | T | 40 | Very low | 37.7 | Very low | 130 Ų | 130 | 151.2 Ų | 151.2 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | | | trans | -109 | 139 | -165.1 | -59.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 563 | I | 40.4 | Very low | 37.3 | Very low | 126 Ų | 126 | 149.8 Ų | 149.8 | 65% | 0.646 | 77% | 0.771 | S | S | * | * | | | trans | -19.6 | 124.8 | 154 | -67.7 | 169.2 | 0 | 0 | 0 | 116.9 | | |
| 564 | R | 37.1 | Very low | 37.4 | Very low | 223 Ų | 223 | 153.3 Ų | 153.3 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | | | trans | 59.8 | 161.7 | 148.3 | -58.8 | 171.5 | -172.8 | 153.2 | -0.3 | 116.7 | | |
| 565 | N | 36.5 | Very low | 37.3 | Very low | 143 Ų | 143 | 154 Ų | 154 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | | | cis | -155.6 | -174 | 20.7 | -147.7 | -6.1 | 0 | 0 | 0 | 113.5 | | |
| 566 | S | 36.7 | Very low | 37.2 | Very low | 95 Ų | 95 | 154.5 Ų | 154.5 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | | | trans | 60.6 | 87.8 | 154.9 | 52.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 567 | R | 33.1 | Very low | 36.9 | Very low | 249 Ų | 249 | 161.4 Ų | 161.4 | 94% | 0.94 | 80% | 0.797 | S | S | * | * | | | | 52.6 | 88.1 | 105.5 | -167.8 | -159.5 | -152 | -178.1 | 8.3 | 117.8 | | |
| 568 | E | 39 | Very low | 36.9 | Very low | 182 Ų | 182 | 159.5 Ų | 159.5 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | | | trans | -143.1 | 159.3 | 146.9 | -154.9 | 156.2 | -129.5 | 0 | 0 | 112.2 | | |
| 569 | K | 35.6 | Very low | 37.1 | Very low | 200 Ų | 200 | 163.5 Ų | 163.5 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | | | trans | -94.8 | 120 | -176.2 | -62.4 | 174 | -176.8 | 171.6 | 0 | 109.8 | | |
| 570 | M | 37.5 | Very low | 36.9 | Very low | 170 Ų | 170 | 159.5 Ų | 159.5 | 84% | 0.837 | 80% | 0.8 | S | S | * | * | | | trans | -145.3 | 155.6 | 164.3 | -124.6 | 168.2 | -83.1 | 0 | 0 | 113.2 | | |
| 571 | N | 33.8 | Very low | 37.5 | Very low | 143 Ų | 143 | 162.9 Ų | 162.9 | 77% | 0.765 | 81% | 0.808 | S | S | * | * | | | trans | -95.5 | 121.6 | -161.9 | -177.5 | 12 | 0 | 0 | 0 | 111.3 | | |
| 572 | T | 39.4 | Very low | 37.9 | Very low | 140 Ų | 140 | 163.7 Ų | 163.7 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | | | trans | -112.4 | 60.8 | -175.9 | 45.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 573 | S | 34.6 | Very low | 38.1 | Very low | 88 Ų | 88 | 166.8 Ų | 166.8 | 62% | 0.615 | 81% | 0.806 | S | S | * | * | | | trans | -82.1 | 144.3 | 147.3 | -62.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 574 | N | 37.1 | Very low | 38.3 | Very low | 162 Ų | 162 | 167 Ų | 167 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | | | trans | 62.9 | 85.7 | 168.1 | -55.4 | -18.2 | 0 | 0 | 0 | 118.5 | | |
| 575 | R | 36.7 | Very low | 38.8 | Very low | 226 Ų | 226 | 165.8 Ų | 165.8 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | | | trans | -158.7 | 112.2 | 138.1 | -140.8 | 164.2 | -178.4 | 169.2 | 0.7 | 113.8 | | |
| 576 | M | 39.6 | Very low | 39.3 | Very low | 151 Ų | 151 | 165.3 Ų | 165.3 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | | | trans | 52.3 | 125.3 | 157.5 | -52.8 | 178.8 | -42.1 | 0 | 0 | 117.4 | | |
| 577 | R | 37.6 | Very low | 40 | Very low | 244 Ų | 244 | 168.6 Ų | 168.6 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | | | cis | 58.9 | 69.5 | 28.1 | -157.6 | -172.6 | -173.2 | -172.6 | 2.4 | 114.4 | | |
| 578 | M | 35.4 | Very low | 40.8 | Very low | 156 Ų | 156 | 164.2 Ų | 164.2 | 77% | 0.768 | 82% | 0.815 | S | S | * | * | | | trans | -149.5 | 167.5 | 154.1 | -77 | -55.2 | -76.3 | 0 | 0 | 108.7 | | |
| 579 | M | 40.6 | Very low | 41.3 | Very low | 180 Ų | 180 | 159.6 Ų | 159.6 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | | | trans | 69.2 | 89.1 | 176.7 | -48.7 | -48.6 | -160.8 | 0 | 0 | 116.1 | | |
| 580 | S | 34.4 | Very low | 41.8 | Very low | 116 Ų | 116 | 157 Ų | 157 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | | | trans | -143.8 | 92.7 | 162.4 | 57.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 581 | M | 45.1 | Very low | 42.4 | Very low | 166 Ų | 166 | 156 Ų | 156 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -160.9 | 154.5 | 172.1 | -78.5 | -166.7 | 5.9 | 0 | 0 | 106 | | |
| 582 | E | 45.1 | Very low | 43 | Very low | 147 Ų | 147 | 156.1 Ų | 156.1 | 69% | 0.687 | 80% | 0.802 | S | S | * | * | | | cis | -178.3 | 138 | -14.9 | 173.1 | 168.9 | -107.8 | 0 | 0 | 105.4 | | |
| 583 | E | 44.1 | Very low | 43.1 | Very low | 195 Ų | 195 | 155.6 Ų | 155.6 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | | | trans | -177.4 | 148.8 | 157.3 | -107.9 | 160 | -150.6 | 0 | 0 | 109.1 | | |
| 584 | N | 44.7 | Very low | 43.4 | Very low | 131 Ų | 131 | 158.4 Ų | 158.4 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | | | trans | -108.6 | 164.9 | -163.7 | -46.9 | -44.3 | 0 | 0 | 0 | 111.7 | | |
| 585 | E | 47.7 | Very low | 43.4 | Very low | 197 Ų | 197 | 156.2 Ų | 156.2 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | | | trans | -156.2 | 141.5 | 130.6 | -111.9 | 163.4 | -152.7 | 0 | 0 | 108.1 | | |
| 586 | D | 47.9 | Very low | 43.6 | Very low | 134 Ų | 134 | 152.6 Ų | 152.6 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | | | trans | -89.7 | 164.1 | -167 | -50.4 | -86.2 | 0 | 0 | 0 | 112.4 | | |
| 587 | D | 51.8 | Low | 43.4 | Very low | 163 Ų | 163 | 152.6 Ų | 152.6 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | | | trans | -179.6 | 127.9 | 139 | -97.4 | -15.3 | 0 | 0 | 0 | 110.5 | | |
| 588 | D | 49.6 | Very low | 43.5 | Very low | 157 Ų | 157 | 150.9 Ų | 150.9 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | | | trans | -61.8 | 149.6 | -167.7 | -54.3 | -52.6 | 0 | 0 | 0 | 116.7 | | |
| 589 | A | 48.9 | Very low | 43.4 | Very low | 85 Ų | 85 | 153.9 Ų | 153.9 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | | | | 164.7 | 117.6 | 111.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 590 | D | 47.3 | Very low | 43.1 | Very low | 146 Ų | 146 | 152.5 Ų | 152.5 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | | | trans | 65 | 90.3 | 131.4 | -50.9 | -8.2 | 0 | 0 | 0 | 121.6 | | |
| 591 | D | 48.4 | Very low | 43.3 | Very low | 149 Ų | 149 | 154.3 Ų | 154.3 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | | 94.9 | 157 | 110.8 | -92.1 | -19.7 | 0 | 0 | 0 | 126 | | |
| 592 | D | 46.9 | Very low | 42.7 | Very low | 146 Ų | 146 | 155 Ų | 155 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | | | trans | 62.1 | 48.9 | 161.3 | -73.1 | -11.5 | 0 | 0 | 0 | 120.1 | N594 | D592-N594 PolarHBondContact O-N 3.19Š|
| 593 | N | 41 | Very low | 42.4 | Very low | 129 Ų | 129 | 154.8 Ų | 154.8 | 69% | 0.69 | 79% | 0.786 | S | S | * | * | | | | -9.6 | 116.7 | 111.2 | 170.1 | 42.7 | 0 | 0 | 0 | 116.8 | | |
| 594 | N | 41.6 | Very low | 42 | Very low | 146 Ų | 146 | 153.1 Ų | 153.1 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | | | | -153.4 | 153.6 | 126.7 | -139 | -34 | 0 | 0 | 0 | 114.4 | D592 | D592-N594 PolarHBondContact O-N 3.19Š|
| 595 | N | 36.4 | Very low | 41.8 | Very low | 117 Ų | 117 | 152.7 Ų | 152.7 | 63% | 0.626 | 78% | 0.781 | S | S | * | * | | | trans | -80 | 157 | 171.9 | -78.9 | -86.8 | 0 | 0 | 0 | 111.6 | | |
| 596 | N | 42.1 | Very low | 41.4 | Very low | 150 Ų | 150 | 154.8 Ų | 154.8 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | | | | -154.5 | 108.8 | 127.2 | -102.7 | -46.8 | 0 | 0 | 0 | 111 | | |
| 597 | N | 35.9 | Very low | 40.9 | Very low | 150 Ų | 150 | 156.8 Ų | 156.8 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | | | trans | -73.5 | 128.3 | 161.3 | -103.9 | -33 | 0 | 0 | 0 | 107.9 | | |
| 598 | Y | 37.8 | Very low | 40.2 | Very low | 208 Ų | 208 | 152.2 Ų | 152.2 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | | | trans | -134.2 | 141.8 | 157.6 | -107.2 | -86.3 | 0 | 0 | 0 | 111.8 | | |
| 599 | Y | 33.5 | Very low | 39.7 | Very low | 219 Ų | 219 | 153 Ų | 153 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | | | trans | -63.7 | -179.6 | 166.9 | -101.9 | -118.4 | 0 | 0 | 0 | 111.3 | | |
| 600 | I | 34.7 | Very low | 38.9 | Very low | 151 Ų | 151 | 156.8 Ų | 156.8 | 77% | 0.774 | 79% | 0.785 | S | S | * | * | | | trans | 109.9 | 131.4 | 170.3 | -63 | 160.1 | 0 | 0 | 0 | 112 | | |
| 601 | Q | 39 | Very low | 38.5 | Very low | 155 Ų | 155 | 154.7 Ų | 154.7 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | | | cis | -162.8 | 153.5 | -22.4 | -174.5 | 162.2 | -4.7 | 0 | 0 | 107.6 | | |
| 602 | E | 31.3 | Very low | 37.7 | Very low | 179 Ų | 179 | 156.9 Ų | 156.9 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | | | trans | -61.6 | 134.5 | 172.6 | -65.1 | 168.2 | 153.2 | 0 | 0 | 110.5 | | |
| 603 | N | 39.7 | Very low | 37 | Very low | 143 Ų | 143 | 158.2 Ų | 158.2 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | | | trans | -141.4 | 71.2 | 177.4 | -97.5 | -57.8 | 0 | 0 | 0 | 110.2 | N605 | N603-N605 PolarHBondContact O-N 3.37Å; N603-N605 VanDerWaalsContact O-N 3.16Å |
| 604 | D | 36 | Very low | 36.6 | Very low | 160 Ų | 160 | 159.4 Ų | 159.4 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | | | trans | -66.2 | 105.6 | 165 | -79.6 | -44.1 | 0 | 0 | 0 | 109.8 | | |
| 605 | N | 40.1 | Very low | 36.2 | Very low | 122 Ų | 122 | 158.2 Ų | 158.2 | 65% | 0.652 | 78% | 0.782 | S | S | * | * | | | trans | -156.2 | 78.5 | 169.6 | -123.3 | -37 | 0 | 0 | 0 | 113.2 | N603 | N603-N605 PolarHBondContact O-N 3.37Å; N603-N605 VanDerWaalsContact O-N 3.16Å |
| 606 | Y | 38.5 | Very low | 36.2 | Very low | 241 Ų | 241 | 157.7 Ų | 157.7 | 95% | 0.945 | 79% | 0.788 | S | S | * | * | | | trans | -139.6 | 107.8 | 149.8 | -112.1 | -77.9 | 0 | 0 | 0 | 111 | | |
| 607 | Q | 38.9 | Very low | 35.9 | Very low | 176 Ų | 176 | 160.8 Ų | 160.8 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | trans | -72.7 | 143 | 178 | -60 | 176.8 | 7.2 | 0 | 0 | 110.7 | | |
| 608 | G | 36.7 | Very low | 36.1 | Very low | 68 Ų | 68 | 162.2 Ų | 162.2 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | | | trans | -175.9 | 56.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 609 | Q | 38.5 | Very low | 35.9 | Very low | 174 Ų | 174 | 161.4 Ų | 161.4 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | trans | -63.8 | 135.9 | -174.6 | -66.6 | -167.4 | 4.7 | 0 | 0 | 112.7 | | |
| 610 | N | 33.5 | Very low | 36.1 | Very low | 163 Ų | 163 | 162 Ų | 162 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | | | trans | -116.7 | 91.1 | 160 | -93 | -52.9 | 0 | 0 | 0 | 108.4 | | |
| 611 | T | 37.8 | Very low | 36.2 | Very low | 103 Ų | 103 | 159.9 Ų | 159.9 | 63% | 0.632 | 78% | 0.783 | S | S | * | * | | | trans | -126.2 | 106.6 | -178.6 | -50.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 612 | Y | 30.8 | Very low | 36.1 | Very low | 194 Ų | 194 | 158.4 Ų | 158.4 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | | | trans | 21.6 | 141.5 | 150.6 | -73.1 | -91.4 | 0 | 0 | 0 | 122.7 | | |
| 613 | H | 33.4 | Very low | 36.4 | Very low | 174 Ų | 174 | 155.4 Ų | 155.4 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | | | trans | 70.9 | 120.2 | 162.2 | -50.9 | -64.2 | 0 | 0 | 0 | 118.3 | | |
| 614 | N | 32.9 | Very low | 36.1 | Very low | 154 Ų | 154 | 155.1 Ų | 155.1 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | | | | -157 | 164.1 | 91.8 | -143.1 | -29.4 | 0 | 0 | 0 | 112.1 | | |
| 615 | T | 32.7 | Very low | 36.2 | Very low | 121 Ų | 121 | 153.3 Ų | 153.3 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | | | trans | -120.6 | 134.5 | 179.9 | 50.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 616 | S | 36.5 | Very low | 35.9 | Very low | 106 Ų | 106 | 153 Ų | 153 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | | | trans | -160.3 | 110.6 | 164.3 | 21.5 | 0 | 0 | 0 | 0 | 114 | | |
| 617 | Y | 34.8 | Very low | 36 | Very low | 215 Ų | 215 | 149.6 Ų | 149.6 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | | | trans | 28.4 | 121.3 | 144.4 | -52.4 | -78 | 0 | 0 | 0 | 121.4 | | |
| 618 | L | 41 | Very low | 35.8 | Very low | 181 Ų | 181 | 145.6 Ų | 145.6 | 95% | 0.948 | 78% | 0.775 | S | S | * | * | | | | -143.4 | 162.3 | 112.1 | -107.3 | 170.7 | 0 | 0 | 0 | 110 | | |
| 619 | R | 33.4 | Very low | 36 | Very low | 190 Ų | 190 | 149.5 Ų | 149.5 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | | | trans | -145.1 | 131 | -152.8 | 163.1 | -168.7 | 172.7 | -149.2 | 6.6 | 112.4 | N621 | R619-N621 PolarHBondContact NE-OD1 3.49Š|
| 620 | W | 39.1 | Very low | 36 | Very low | 231 Ų | 231 | 148.8 Ų | 148.8 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | | | trans | -157.8 | 117.5 | 132.1 | -118.5 | -8.6 | 0 | 0 | 0 | 115.9 | | |
| 621 | N | 36.1 | Very low | 36.3 | Very low | 108 Ų | 108 | 152 Ų | 152 | 58% | 0.578 | 77% | 0.771 | S | S | * | * | | | trans | 7.6 | 129 | 147.1 | -44.6 | -5.2 | 0 | 0 | 0 | 119.7 | R619 | R619-N621 PolarHBondContact NE-OD1 3.49Š|
| 622 | S | 35.9 | Very low | 36.5 | Very low | 123 Ų | 123 | 152.2 Ų | 152.2 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | | | | -161.8 | 138.5 | 104 | -162.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 623 | S | 38.1 | Very low | 36.7 | Very low | 116 Ų | 116 | 153 Ų | 153 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | | | trans | -63.4 | 144.1 | -166.1 | -47.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 624 | N | 32.8 | Very low | 36.9 | Very low | 138 Ų | 138 | 151 Ų | 151 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | | | trans | -90.5 | 162.4 | 149.8 | -138.1 | 0.4 | 0 | 0 | 0 | 107.8 | | |
| 625 | P | 39.4 | Very low | 37.3 | Very low | 122 Ų | 122 | 149.7 Ų | 149.7 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | | | | -152.6 | 167 | 85.2 | 39.9 | -21.3 | 0 | 0 | 0 | 117.1 | | |
| 626 | T | 34.2 | Very low | 37.5 | Very low | 114 Ų | 114 | 148.7 Ų | 148.7 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | | | trans | -86.6 | 141.8 | 178.5 | -39.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 627 | I | 40.5 | Very low | 37.7 | Very low | 170 Ų | 170 | 147.8 Ų | 147.8 | 87% | 0.872 | 76% | 0.755 | S | S | * | * | | | trans | -130.7 | 149.5 | 153.9 | -71.1 | -174.2 | 0 | 0 | 0 | 109.1 | | |
| 628 | S | 34.1 | Very low | 38 | Very low | 93 Ų | 93 | 144.2 Ų | 144.2 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | | | trans | -124.4 | 144.9 | -172.6 | 168.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 629 | Q | 40.8 | Very low | 38 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 70% | 0.696 | 74% | 0.741 | S | S | * | * | | | | -179.5 | 144.6 | 127.2 | -100.9 | 170 | 84.3 | 0 | 0 | 116.2 | | |
| 630 | K | 38.8 | Very low | 38.3 | Very low | 160 Ų | 160 | 141.9 Ų | 141.9 | 70% | 0.696 | 75% | 0.748 | S | S | * | * | | | trans | 60.5 | 100.7 | 141.8 | -67.9 | 167.4 | 176.4 | 159.6 | 0 | 122.3 | | |
| 631 | Y | 39.6 | Very low | 38.2 | Very low | 231 Ų | 231 | 140.4 Ų | 140.4 | 91% | 0.906 | 75% | 0.748 | S | S | * | * | | | | 63.7 | 163.1 | 116.3 | -74.1 | -51.6 | 0 | 0 | 0 | 122 | | |
| 632 | P | 42.5 | Very low | 38.8 | Very low | 106 Ų | 106 | 140 Ų | 140 | 69% | 0.688 | 75% | 0.751 | S | S | * | * | | | trans | -129.1 | 179 | -146.1 | 44 | -28.8 | 0 | 0 | 0 | 115.2 | | |
| 633 | Y | 34.8 | Very low | 38.9 | Very low | 211 Ų | 211 | 143.1 Ų | 143.1 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | | | trans | -163.2 | 101.8 | 147.9 | -125 | -91.4 | 0 | 0 | 0 | 114.6 | I635 | Y633-I635 HydrophobicContact CD1-CD1 4.45Š|
| 634 | N | 38.1 | Very low | 39 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | | | | 57.1 | 156.8 | 119 | -136.1 | -5.7 | 0 | 0 | 0 | 125 | | |
| 635 | I | 41.6 | Very low | 39.3 | Very low | 127 Ų | 127 | 146 Ų | 146 | 65% | 0.651 | 74% | 0.738 | S | S | * | * | | | trans | 67.8 | 113.6 | 161.4 | -27.7 | 113.4 | 0 | 0 | 0 | 120.6 | Y633 | Y633-I635 HydrophobicContact CD1-CD1 4.45Š|
| 636 | S | 36.7 | Very low | 39.3 | Very low | 101 Ų | 101 | 146 Ų | 146 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | | | | 165.5 | 108.2 | 95.9 | -154.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 637 | S | 39.1 | Very low | 39.6 | Very low | 87 Ų | 87 | 144.1 Ų | 144.1 | 61% | 0.608 | 73% | 0.728 | S | S | * | * | | | | 49.9 | 133.9 | 119.5 | -29 | 0 | 0 | 0 | 0 | 126 | | |
| 638 | T | 42.3 | Very low | 39.7 | Very low | 140 Ų | 140 | 145 Ų | 145 | 86% | 0.859 | 73% | 0.731 | S | S | * | * | | | trans | 75.3 | 155.2 | 156.3 | 76.9 | 0 | 0 | 0 | 0 | 117.7 | | |
| 639 | S | 39.9 | Very low | 39.9 | Very low | 89 Ų | 89 | 146.1 Ų | 146.1 | 62% | 0.622 | 74% | 0.738 | S | S | * | * | | | cis | -160.2 | 148 | 25.5 | -159.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 640 | R | 40.3 | Very low | 39.9 | Very low | 233 Ų | 233 | 147.1 Ų | 147.1 | 88% | 0.879 | 74% | 0.743 | S | S | * | * | | | trans | 64.3 | 118.2 | 153.5 | -69.8 | 164.3 | -162.1 | -138.6 | 1 | 122.8 | | |
| 641 | K | 36.4 | Very low | 39.8 | Very low | 199 Ų | 199 | 145.3 Ų | 145.3 | 87% | 0.865 | 75% | 0.745 | S | S | * | * | | | trans | -84.4 | -153.7 | 148.3 | -59.2 | -177.4 | 176.4 | -177.7 | 0 | 108.5 | | |
| 642 | P | 49.4 | Very low | 39.8 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | | | cis | -150.7 | -174.9 | -0.7 | 46.5 | -26.5 | 0 | 0 | 0 | 119.7 | | |
| 643 | Y | 38.7 | Very low | 39.5 | Very low | 189 Ų | 189 | 139.7 Ų | 139.7 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | | | trans | 65.4 | 165.2 | 150.8 | -76.3 | -58.1 | 0 | 0 | 0 | 118.2 | | |
| 644 | Y | 38.6 | Very low | 39.4 | Very low | 200 Ų | 200 | 137.6 Ų | 137.6 | 78% | 0.784 | 73% | 0.731 | S | S | * | * | | | cis | -106.7 | -141.5 | 7 | -132.9 | -86.5 | 0 | 0 | 0 | 114.9 | | |
| 645 | N | 39.8 | Very low | 39.3 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 62% | 0.62 | 74% | 0.738 | S | S | * | * | | | trans | -163.5 | -178.4 | -147.9 | -162.4 | 54.7 | 0 | 0 | 0 | 114.4 | | |
| 646 | D | 39.1 | Very low | 39 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 64% | 0.642 | 74% | 0.744 | S | S | * | * | | | trans | 80.5 | 155.1 | 159.8 | -60.6 | -61 | 0 | 0 | 0 | 121.1 | | |
| 647 | A | 41 | Very low | 38.9 | Very low | 76 Ų | 76 | 140.4 Ų | 140.4 | 63% | 0.628 | 75% | 0.749 | S | S | * | * | | | cis | -171.3 | 150.2 | -31.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 648 | M | 41.7 | Very low | 38.7 | Very low | 188 Ų | 188 | 143.1 Ų | 143.1 | 93% | 0.926 | 76% | 0.756 | S | S | * | * | | | trans | 62.6 | 165.2 | 164.9 | -62.5 | -170.6 | 178.5 | 0 | 0 | 117 | | |
| 649 | S | 38 | Very low | 38.6 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | | | cis | -138.5 | -176.3 | 5.1 | -158.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 650 | Q | 42.1 | Very low | 38.6 | Very low | 170 Ų | 170 | 146.2 Ų | 146.2 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | | | trans | -98.4 | 164.4 | -173.5 | -54 | 173.2 | 14 | 0 | 0 | 113.2 | | |
| 651 | V | 37.1 | Very low | 38.4 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 75% | 0.745 | 74% | 0.743 | S | S | * | * | | | | 157.6 | 101 | 125 | 165.5 | 0 | 0 | 0 | 0 | 113 | | |
| 652 | T | 38 | Very low | 38.6 | Very low | 111 Ų | 111 | 135 Ų | 135 | 68% | 0.681 | 73% | 0.73 | S | S | * | * | | | | 44 | 133.7 | 121.2 | -24.1 | 0 | 0 | 0 | 0 | 124 | | |
| 653 | T | 36.3 | Very low | 38.1 | Very low | 107 Ų | 107 | 138 Ų | 138 | 66% | 0.656 | 73% | 0.733 | S | S | * | * | | | trans | 77.5 | 113.2 | 145.6 | 31.2 | 0 | 0 | 0 | 0 | 123.6 | | |
| 654 | Q | 33 | Very low | 38.2 | Very low | 168 Ų | 168 | 138.3 Ų | 138.3 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | | | | 47 | 126.8 | 125.1 | -60.2 | 175.7 | 22.8 | 0 | 0 | 121.2 | | |
| 655 | T | 35.3 | Very low | 38.2 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 84% | 0.84 | 74% | 0.74 | S | S | * | * | | | | -169.9 | 168.1 | 105.2 | 19 | 0 | 0 | 0 | 0 | 114.7 | | |
| 656 | T | 35.3 | Very low | 38.3 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | | | trans | -44.7 | 153.4 | -173 | 46.3 | 0 | 0 | 0 | 0 | 121.2 | | |
| 657 | N | 34.8 | Very low | 38.4 | Very low | 153 Ų | 153 | 137.3 Ų | 137.3 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | -26.5 | 153.4 | 156.1 | -43.1 | -25.2 | 0 | 0 | 0 | 117.6 | | |
| 658 | L | 36.5 | Very low | 38.5 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | | | trans | -151 | 165.2 | 147.5 | -149.3 | 66.6 | 0 | 0 | 0 | 112.2 | | |
| 659 | E | 38.4 | Very low | 38.3 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | | | trans | -26.4 | 163.7 | 168.8 | -76 | 98.7 | -113.2 | 0 | 0 | 118.7 | | |
| 660 | D | 40.5 | Very low | 38.3 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | | | cis | -160.4 | -165.3 | 44.9 | -151.9 | -18.9 | 0 | 0 | 0 | 115.5 | | |
| 661 | T | 35.7 | Very low | 38.2 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 61% | 0.607 | 74% | 0.74 | S | S | * | * | | | trans | -118 | 172.3 | -151.1 | 56.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 662 | T | 40.4 | Very low | 38.2 | Very low | 96 Ų | 96 | 134.9 Ų | 134.9 | 59% | 0.589 | 73% | 0.732 | S | S | * | * | | | | 159.7 | 153.8 | 111 | 45.2 | 0 | 0 | 0 | 0 | 116.6 | | |
| 663 | K | 40.5 | Very low | 38.3 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 71% | 0.709 | 74% | 0.74 | S | S | * | * | | | trans | 87.9 | 106.7 | 146.2 | -71.6 | 139.1 | -158.9 | 147.5 | 0 | 122.7 | | |
| 664 | K | 41 | Very low | 38.3 | Very low | 195 Ų | 195 | 138.8 Ų | 138.8 | 85% | 0.848 | 74% | 0.744 | S | S | * | * | | | | 104.7 | 98.8 | 117.2 | -74.2 | 178.2 | 176.4 | -174 | 0 | 122.1 | | |
| 665 | N | 37.1 | Very low | 38.8 | Very low | 155 Ų | 155 | 138 Ų | 138 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | | | trans | -32.7 | 167.7 | 134.8 | -70.8 | -18.5 | 0 | 0 | 0 | 115.2 | | |
| 666 | P | 42.7 | Very low | 39 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 71% | 0.708 | 74% | 0.741 | S | S | * | * | | | cis | -162.8 | 170 | 42.6 | 46.6 | -24.2 | 0 | 0 | 0 | 123.9 | | |
| 667 | L | 42 | Very low | 39.3 | Very low | 152 Ų | 152 | 138.7 Ų | 138.7 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | | | trans | 87.9 | 150.8 | 131.2 | -93.2 | 167.8 | 0 | 0 | 0 | 124.9 | | |
| 668 | L | 41.7 | Very low | 39.9 | Very low | 161 Ų | 161 | 137.2 Ų | 137.2 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | | | trans | 83.6 | 143.3 | 163.3 | -65.2 | 165.9 | 0 | 0 | 0 | 120.3 | | |
| 669 | S | 37.1 | Very low | 39.9 | Very low | 82 Ų | 82 | 140.9 Ų | 140.9 | 57% | 0.573 | 75% | 0.745 | S | S | * | * | | | | -179.8 | 137.4 | -60 | 170.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 670 | T | 40.1 | Very low | 40.3 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | | | trans | 62.7 | 157.4 | 156.2 | 48 | 0 | 0 | 0 | 0 | 118.6 | | |
| 671 | K | 39.1 | Very low | 40.3 | Very low | 177 Ų | 177 | 143.1 Ų | 143.1 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | | | cis | -149.7 | 158.4 | 2 | -130.7 | 155.4 | -170.9 | 174.9 | 0 | 111.4 | | |
| 672 | S | 36.8 | Very low | 40.5 | Very low | 84 Ų | 84 | 147 Ų | 147 | 59% | 0.587 | 76% | 0.764 | S | S | * | * | | | trans | -73.9 | 165.8 | 171.4 | 54.1 | 0 | 0 | 0 | 0 | 114 | | |
| 673 | F | 39.9 | Very low | 40.5 | Very low | 193 Ų | 193 | 147.3 Ų | 147.3 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | | | | -160.6 | 160.6 | 126 | -80.6 | -55.6 | 0 | 0 | 0 | 111.5 | | |
| 674 | S | 36.2 | Very low | 40.4 | Very low | 107 Ų | 107 | 146 Ų | 146 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | trans | -139.2 | 164.3 | -177.9 | -49.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 675 | L | 43.1 | Very low | 40.3 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | | | | 171.1 | 157.9 | 123 | -92.3 | 166.6 | 0 | 0 | 0 | 115.4 | | |
| 676 | D | 40.6 | Very low | 40.6 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | trans | 68.6 | 138.5 | 151.3 | -61.2 | -29.6 | 0 | 0 | 0 | 125 | | |
| 677 | V | 42.4 | Very low | 40.5 | Very low | 133 Ų | 133 | 143 Ų | 143 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | | | trans | -144.2 | 128.3 | 174.8 | 172.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 678 | P | 45.7 | Very low | 40.5 | Very low | 122 Ų | 122 | 143 Ų | 143 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | | | trans | -92.4 | 135.7 | 166.5 | -5.9 | 25.3 | 0 | 0 | 0 | 112.4 | | |
| 679 | R | 37 | Very low | 40.5 | Very low | 223 Ų | 223 | 141.8 Ų | 141.8 | 84% | 0.842 | 76% | 0.763 | S | S | * | * | | | trans | -94.2 | 156.9 | 156 | -78.9 | -178.5 | 172.3 | 175.1 | -2.8 | 109.5 | | |
| 680 | F | 47 | Very low | 40.6 | Very low | 204 Ų | 204 | 141.6 Ų | 141.6 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | | | trans | -152 | 166 | 151.9 | -113.6 | -78.5 | 0 | 0 | 0 | 110.6 | | |
| 681 | D | 40.7 | Very low | 40.5 | Very low | 137 Ų | 137 | 142 Ų | 142 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | | | trans | -112.7 | -177.8 | -148.4 | -59.2 | -79.5 | 0 | 0 | 0 | 117.1 | | |
| 682 | Q | 39.1 | Very low | 40.4 | Very low | 179 Ų | 179 | 137.7 Ų | 137.7 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | | | trans | -57.2 | 173.4 | 165.1 | -85 | -173.3 | -14.8 | 0 | 0 | 113.2 | | |
| 683 | P | 41.5 | Very low | 40.3 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | | | cis | -158.4 | -177.3 | 37.9 | 46.4 | -23.8 | 0 | 0 | 0 | 121.4 | | |
| 684 | N | 38.7 | Very low | 40.3 | Very low | 137 Ų | 137 | 134 Ų | 134 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | | | trans | 57.8 | 122.7 | 144.3 | -66.7 | -1.2 | 0 | 0 | 0 | 125 | | |
| 685 | D | 38.5 | Very low | 40.5 | Very low | 148 Ų | 148 | 134.5 Ų | 134.5 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | | 27.4 | 137.9 | 120 | -61.5 | 0 | 0 | 0 | 0 | 121.9 | | |
| 686 | S | 42.2 | Very low | 40.7 | Very low | 103 Ų | 103 | 133.4 Ų | 133.4 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | | | | 173.8 | 146.6 | 92.7 | 53.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 687 | N | 40.3 | Very low | 40.6 | Very low | 143 Ų | 143 | 130.1 Ų | 130.1 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | | | trans | 77.6 | 148.2 | 133.4 | -80.8 | -22.9 | 0 | 0 | 0 | 125.5 | | |
| 688 | L | 43.6 | Very low | 40.6 | Very low | 154 Ų | 154 | 133.8 Ų | 133.8 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | | | trans | 70.8 | 148.3 | 159.5 | -56.2 | 140.8 | 0 | 0 | 0 | 116.7 | | |
| 689 | T | 41.8 | Very low | 40.4 | Very low | 134 Ų | 134 | 137.1 Ų | 137.1 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | | | cis | -164.1 | 163.9 | -9.7 | 12.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 690 | G | 37.1 | Very low | 40.7 | Very low | 79 Ų | 79 | 131.2 Ų | 131.2 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | | | trans | 154.6 | 131 | 159.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 691 | S | 39.1 | Very low | 40.5 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | | | trans | -147.4 | 140.8 | -167.8 | 60.9 | 0 | 0 | 0 | 0 | 116.7 | | |
| 692 | G | 36.2 | Very low | 40.3 | Very low | 87 Ų | 87 | 126.6 Ų | 126.6 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | | | trans | 88.9 | 157.1 | 141.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 693 | G | 35.2 | Very low | 40.5 | Very low | 74 Ų | 74 | 127.1 Ų | 127.1 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | | | trans | 163.2 | 52.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 694 | S | 40.6 | Very low | 40.6 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 88% | 0.881 | 79% | 0.792 | S | S | * | * | | | trans | 58.5 | 135.3 | 146.3 | -53.9 | 0 | 0 | 0 | 0 | 124.1 | | |
| 695 | S | 39.5 | Very low | 40.6 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | trans | -103.8 | -157 | 158.4 | -41.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 696 | P | 47.9 | Very low | 40.4 | Very low | 129 Ų | 129 | 133.2 Ų | 133.2 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | | | cis | -137.9 | 179 | 0.5 | 42.8 | -23.8 | 0 | 0 | 0 | 117.5 | | |
| 697 | G | 38.3 | Very low | 40.2 | Very low | 75 Ų | 75 | 134.2 Ų | 134.2 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | trans | -141.6 | 170.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 698 | R | 41.6 | Very low | 40 | Very low | 210 Ų | 210 | 133 Ų | 133 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | | | trans | -134.8 | 172.2 | -161.2 | -73.1 | -174.3 | 171.6 | -141.2 | 0.6 | 116.4 | | |
| 699 | Y | 41.8 | Very low | 39.7 | Very low | 191 Ų | 191 | 131 Ų | 131 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | | | trans | 84 | 112.4 | 165 | -59.8 | -73.3 | 0 | 0 | 0 | 114.8 | | |
| 700 | S | 44.8 | Very low | 39.5 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | | | cis | 98.7 | 139.7 | 47.4 | 66.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 701 | E | 41.2 | Very low | 39.3 | Very low | 182 Ų | 182 | 138 Ų | 138 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | | | cis | -161.5 | 148.4 | -6.9 | 165.7 | 166.5 | -164.3 | 0 | 0 | 108.6 | | |
| 702 | G | 36.6 | Very low | 39.2 | Very low | 61 Ų | 61 | 139.8 Ų | 139.8 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | | | trans | -174.7 | 115.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R704 | G702-R704 PolarHBondContact O-N 2.95Š|
| 703 | F | 43.3 | Very low | 39.2 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 83% | 0.833 | 79% | 0.787 | S | S | * | * | | | trans | -4.7 | 103.1 | 168.7 | -57.5 | -84.8 | 0 | 0 | 0 | 117.3 | | |
| 704 | R | 44.4 | Very low | 39.1 | Very low | 204 Ų | 204 | 149.4 Ų | 149.4 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | | | | 72.9 | 130.4 | 76.2 | -72.9 | -177.3 | -170.2 | -135.9 | 5 | 114.6 | G702 | G702-R704 PolarHBondContact O-N 2.95Š|
| 705 | K | 38.8 | Very low | 39 | Very low | 197 Ų | 197 | 149.4 Ų | 149.4 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | | | cis | -177.3 | 131.1 | -35.9 | -113.3 | 166.4 | -175.5 | 177.2 | 0 | 107.9 | | |
| 706 | S | 34.3 | Very low | 38.6 | Very low | 115 Ų | 115 | 149.3 Ų | 149.3 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -71.9 | 147.3 | 156.9 | 45.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 707 | S | 37.1 | Very low | 37.8 | Very low | 125 Ų | 125 | 154.5 Ų | 154.5 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | -91.1 | 114.8 | -174.1 | -157.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 708 | V | 37.4 | Very low | 37.7 | Very low | 116 Ų | 116 | 157.6 Ų | 157.6 | 70% | 0.703 | 79% | 0.787 | S | S | * | * | | | trans | -66.8 | 164 | 151.8 | -163.6 | 0 | 0 | 0 | 0 | 106.8 | | |
| 709 | V | 36.1 | Very low | 37.4 | Very low | 114 Ų | 114 | 152.7 Ų | 152.7 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | | | | -167.1 | 163.2 | 50 | -136.1 | 0 | 0 | 0 | 0 | 105.4 | | |
| 710 | K | 39.1 | Very low | 37.6 | Very low | 190 Ų | 190 | 149.4 Ų | 149.4 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | | | cis | -142.8 | 148.8 | 29.9 | -57.8 | 174.9 | -174 | 171 | 0 | 108.5 | | |
| 711 | H | 32.5 | Very low | 37 | Very low | 168 Ų | 168 | 149.1 Ų | 149.1 | 78% | 0.778 | 79% | 0.785 | S | S | * | * | | | | 42.2 | 108.9 | 76.4 | -70.5 | -71.9 | 0 | 0 | 0 | 116.3 | | |
| 712 | Q | 35.6 | Very low | 36.5 | Very low | 164 Ų | 164 | 145.5 Ų | 145.5 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | | | | -172.5 | 142.4 | 112.2 | -102.5 | 179.2 | -3.5 | 0 | 0 | 114.4 | | |
| 713 | Y | 37.2 | Very low | 36.5 | Very low | 212 Ų | 212 | 152 Ų | 152 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | | | trans | 50.2 | 132.5 | 158.8 | -60.7 | -64.2 | 0 | 0 | 0 | 125.2 | | |
| 714 | L | 33.7 | Very low | 36 | Very low | 150 Ų | 150 | 147.2 Ų | 147.2 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | -61.2 | 164.1 | 161 | -81.8 | 167.7 | 0 | 0 | 0 | 112.3 | | |
| 715 | P | 37.5 | Very low | 35.4 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | cis | -147.3 | 174.8 | 49.7 | 42.1 | -21.2 | 0 | 0 | 0 | 120.4 | | |
| 716 | T | 31.8 | Very low | 35.2 | Very low | 116 Ų | 116 | 145.9 Ų | 145.9 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | | | trans | -77.5 | 163.4 | -177 | -32.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 717 | R | 31.1 | Very low | 35.1 | Very low | 238 Ų | 238 | 148.2 Ų | 148.2 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | | | trans | 77 | 106.6 | 163.6 | -55 | 179.4 | 176.2 | -171.8 | -2.4 | 117.8 | | |
| 718 | V | 36.4 | Very low | 35 | Very low | 140 Ų | 140 | 149.7 Ų | 149.7 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | | | | -145.4 | 139 | 117.8 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 719 | S | 35.7 | Very low | 35 | Very low | 107 Ų | 107 | 153.5 Ų | 153.5 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | trans | -116.7 | 123.1 | 165.6 | -59.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 720 | P | 44.2 | Very low | 34.9 | Very low | 121 Ų | 121 | 153.6 Ų | 153.6 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | | | trans | -78.5 | 107.4 | 153.8 | 30.7 | -26.3 | 0 | 0 | 0 | 106.7 | | |
| 721 | S | 33.2 | Very low | 34.8 | Very low | 95 Ų | 95 | 152.9 Ų | 152.9 | 66% | 0.664 | 80% | 0.8 | S | S | * | * | | | | 60.9 | 109.7 | 61.8 | -163.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 722 | S | 31 | Very low | 34.9 | Very low | 105 Ų | 105 | 150.6 Ų | 150.6 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | trans | -43.6 | 137 | 170.6 | 48 | 0 | 0 | 0 | 0 | 114.1 | | |
| 723 | F | 35.3 | Very low | 34.7 | Very low | 199 Ų | 199 | 152.3 Ų | 152.3 | 87% | 0.873 | 80% | 0.798 | S | S | * | * | | | trans | -122.7 | 93.3 | 159.5 | -113.2 | -91.2 | 0 | 0 | 0 | 111.4 | | |
| 724 | S | 34.7 | Very low | 34.6 | Very low | 88 Ų | 88 | 147.1 Ų | 147.1 | 62% | 0.615 | 79% | 0.789 | S | S | * | * | | | trans | 30.6 | 111.3 | 150 | -53.6 | 0 | 0 | 0 | 0 | 119.7 | R726 | S724-R726 PolarHBondContact O-N 3.39Š|
| 725 | P | 31.7 | Very low | 34.5 | Very low | 129 Ų | 129 | 147 Ų | 147 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | | | trans | -65.6 | 105.3 | 155.1 | 29.3 | -32 | 0 | 0 | 0 | 108.6 | M727 | P725-M727 PolarHBondContact O-N 3.48Š|
| 726 | R | 33.1 | Very low | 34.4 | Very low | 244 Ų | 244 | 146.3 Ų | 146.3 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | | | trans | -78.4 | 85.5 | -175.3 | -163.7 | 172.1 | -171.5 | 162.6 | 1.4 | 110.9 | S724 N728 | S724-R726 PolarHBondContact O-N 3.39Å; R726-N728 PolarHBondContact O-N 3.35Å |
| 727 | M | 32.3 | Very low | 34.5 | Very low | 164 Ų | 164 | 146.4 Ų | 146.4 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | | | trans | -47.7 | 126.8 | 162.5 | -74.3 | -85.9 | -76.3 | 0 | 0 | 110.3 | P725 | P725-M727 PolarHBondContact O-N 3.48Š|
| 728 | N | 34.7 | Very low | 34.9 | Very low | 156 Ų | 156 | 144.1 Ų | 144.1 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | | | trans | 165.3 | 93.7 | 142.4 | -86.9 | -6.3 | 0 | 0 | 0 | 110.3 | R726 | R726-N728 PolarHBondContact O-N 3.35Š|
| 729 | E | 38.3 | Very low | 34.9 | Very low | 196 Ų | 196 | 144.2 Ų | 144.2 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | | | | -165 | 143.5 | 125.2 | -112 | 174.8 | -146.9 | 0 | 0 | 110.7 | | |
| 730 | P | 34 | Very low | 34.9 | Very low | 116 Ų | 116 | 145.9 Ų | 145.9 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | | | trans | -104.4 | 120 | -171.1 | 36 | -28.6 | 0 | 0 | 0 | 113.2 | | |
| 731 | M | 36.1 | Very low | 34.9 | Very low | 176 Ų | 176 | 145.5 Ų | 145.5 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | | | trans | -133.1 | 88.5 | 163.5 | -86.4 | -163.5 | -75.3 | 0 | 0 | 113.2 | Y733 | M731-Y733 PolarHBondContact O-N 3.14Š|
| 732 | V | 36 | Very low | 34.9 | Very low | 120 Ų | 120 | 151.5 Ų | 151.5 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | 34.1 | 82.2 | 131.9 | -169.1 | 0 | 0 | 0 | 0 | 115.8 | T734 | V732-T734 HydrophobicContact CG1-CG2 3.78Å; V732-T734 PolarHBondContact O-N 3.27Å |
| 733 | Y | 30.5 | Very low | 35.4 | Very low | 199 Ų | 199 | 152.1 Ų | 152.1 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | | | trans | -85.7 | 93.6 | 158.8 | -121.5 | -85.6 | 0 | 0 | 0 | 109.2 | M731 H735 | M731-Y733 PolarHBondContact O-N 3.14Å; Y733-H735 AromaticContact CD1-CD2 3.82Å; Y733-H735 AromaticContact CD1-CE1 3.69Å; Y733-H735 AromaticContact CD1-NE2 3.32Å; Y733-H735 VanDerWaalsContact CD1-NE2 3.32Å; Y733-H735 WeakPolarHBondContact CD1-NE2 3.37Å; Y733-H735 AromaticContact CE1-CE1 3.89Å; Y733-H735 AromaticContact CE1-NE2 3.83Å; Y733-H735 PolarHBondContact O-N 3.25Å |
| 734 | T | 35.5 | Very low | 35.7 | Very low | 104 Ų | 104 | 151.7 Ų | 151.7 | 64% | 0.638 | 77% | 0.772 | S | S | * | * | | | trans | -74.3 | 72.5 | 176.8 | 26.5 | 0 | 0 | 0 | 0 | 111.7 | V732 T736 | V732-T734 HydrophobicContact CG1-CG2 3.78Å; V732-T734 PolarHBondContact O-N 3.27Å; T734-T736 PolarHBondContact O-N 3.29Å |
| 735 | H | 30.8 | Very low | 36.2 | Very low | 148 Ų | 148 | 154.2 Ų | 154.2 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | | | trans | -71.2 | 67.1 | 162.7 | -72.1 | -60.2 | 0 | 0 | 0 | 110.7 | Y733 T737 | Y733-H735 AromaticContact CD1-CD2 3.82Å; Y733-H735 AromaticContact CD1-CE1 3.69Å; Y733-H735 AromaticContact CD1-NE2 3.32Å; Y733-H735 VanDerWaalsContact CD1-NE2 3.32Å; Y733-H735 WeakPolarHBondContact CD1-NE2 3.37Å; Y733-H735 AromaticContact CE1-CE1 3.89Å; Y733-H735 AromaticContact CE1-NE2 3.83Å; Y733-H735 PolarHBondContact O-N 3.25Å; H735-T737 VanDerWaalsContact C-N 3.29Å; H735-T737 PolarHBondContact O-N 3.06Å |
| 736 | T | 36 | Very low | 36.5 | Very low | 112 Ų | 112 | 156.4 Ų | 156.4 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | | | trans | -77.5 | 83 | 170.4 | 50.2 | 0 | 0 | 0 | 0 | 109.9 | T734 K738 | T734-T736 PolarHBondContact O-N 3.29Å; T736-K738 PolarHBondContact O-N 3.19Å |
| 737 | T | 34 | Very low | 36.9 | Very low | 118 Ų | 118 | 151.9 Ų | 151.9 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | | | trans | -54.2 | 127.2 | 162.2 | 38.4 | 0 | 0 | 0 | 0 | 109.8 | H735 | H735-T737 VanDerWaalsContact C-N 3.29Å; H735-T737 PolarHBondContact O-N 3.06Å |
| 738 | K | 39.3 | Very low | 37.5 | Very low | 190 Ų | 190 | 148.8 Ų | 148.8 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | | | trans | -121.5 | 79.4 | 170.1 | -79.5 | -165 | 174.9 | -175.5 | 0 | 110.7 | T736 | T736-K738 PolarHBondContact O-N 3.19Š|
| 739 | N | 36.7 | Very low | 37.7 | Very low | 141 Ų | 141 | 149.6 Ų | 149.6 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | | | trans | 3.5 | 112.6 | 146.8 | -50.6 | -14.2 | 0 | 0 | 0 | 115.6 | | |
| 740 | I | 36.1 | Very low | 37.9 | Very low | 143 Ų | 143 | 145.9 Ų | 145.9 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | | | trans | -109.8 | 111 | 146.3 | -61.8 | 176.6 | 0 | 0 | 0 | 105.9 | Y742 | I740-Y742 HydrophobicContact CG2-CD2 4.29Š|
| 741 | P | 43 | Very low | 38.2 | Very low | 113 Ų | 113 | 149 Ų | 149 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | | | trans | -77.3 | 124.4 | 164.1 | 29.5 | -26.7 | 0 | 0 | 0 | 108.9 | | |
| 742 | Y | 34.6 | Very low | 38.1 | Very low | 221 Ų | 221 | 150.3 Ų | 150.3 | 87% | 0.867 | 75% | 0.745 | S | S | * | * | | | trans | -88.4 | 117.1 | 167 | -106.1 | -90.7 | 0 | 0 | 0 | 108.5 | I740 | I740-Y742 HydrophobicContact CG2-CD2 4.29Š|
| 743 | D | 40.3 | Very low | 38.2 | Very low | 117 Ų | 117 | 150 Ų | 150 | 63% | 0.626 | 75% | 0.745 | S | S | * | * | | | trans | -144.2 | 67 | 179.9 | -148.2 | -16.3 | 0 | 0 | 0 | 110.6 | K745 | D743-K745 VanDerWaalsContact OD1-CE 3.3Å; D743-K745 WeakPolarHBondContact OD1-CE 3.39Å; D743-K745 IonicContact OD1-NZ 3.7Å; D743-K745 PolarHBondContact OD1-NZ 3.34Å |
| 744 | E | 41.3 | Very low | 38.5 | Very low | 190 Ų | 190 | 147 Ų | 147 | 89% | 0.888 | 75% | 0.747 | S | S | * | * | | | trans | -145.3 | 109.5 | 164.1 | -109.6 | 175.6 | 176.5 | 0 | 0 | 105.8 | | |
| 745 | K | 45.8 | Very low | 38.6 | Very low | 142 Ų | 142 | 150 Ų | 150 | 62% | 0.617 | 75% | 0.754 | S | S | * | * | | | cis | 74.6 | 69.8 | 28.4 | -66.4 | -172.7 | -178.9 | 144.4 | 0 | 116.7 | D743 | D743-K745 VanDerWaalsContact OD1-CE 3.3Å; D743-K745 WeakPolarHBondContact OD1-CE 3.39Å; D743-K745 IonicContact OD1-NZ 3.7Å; D743-K745 PolarHBondContact OD1-NZ 3.34Å |
| 746 | H | 39.1 | Very low | 38.8 | Very low | 174 Ų | 174 | 150 Ų | 150 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | | | trans | 76.4 | -178.2 | 139.8 | -51 | -70.7 | 0 | 0 | 0 | 117.7 | | |
| 747 | I | 41.2 | Very low | 38.8 | Very low | 149 Ų | 149 | 150.3 Ų | 150.3 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | | | trans | 84.7 | 69.8 | 169.3 | -47.9 | -178.9 | 0 | 0 | 0 | 114.9 | | |
| 748 | T | 44.8 | Very low | 39.2 | Very low | 99 Ų | 99 | 154 Ų | 154 | 61% | 0.607 | 77% | 0.766 | S | S | * | * | | | trans | 55.8 | 111.9 | 133.1 | 59.7 | 0 | 0 | 0 | 0 | 119.8 | I750 | T748-I750 PolarHBondContact O-N 3.06Š|
| 749 | D | 38 | Very low | 39.2 | Very low | 174 Ų | 174 | 152.9 Ų | 152.9 | 93% | 0.93 | 76% | 0.762 | S | S | * | * | | | trans | -56.1 | 117.5 | 138 | -86.3 | -53.9 | 0 | 0 | 0 | 109.1 | | |
| 750 | I | 41.8 | Very low | 39.5 | Very low | 117 Ų | 117 | 152.9 Ų | 152.9 | 60% | 0.6 | 76% | 0.762 | S | S | * | * | | | trans | -116.5 | 109.4 | 168.6 | -55.8 | -174.4 | 0 | 0 | 0 | 108.2 | T748 Y752 | T748-I750 PolarHBondContact O-N 3.06Å; I750-Y752 HydrophobicContact CG2-CD2 3.7Å; I750-Y752 HydrophobicContact CG2-CE2 3.68Å; I750-Y752 PolarHBondContact O-N 2.65Å |
| 751 | H | 40.8 | Very low | 39.6 | Very low | 183 Ų | 183 | 150.7 Ų | 150.7 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | | | trans | -58.4 | 119.7 | 168.7 | -110.7 | -86.5 | 0 | 0 | 0 | 110.4 | | |
| 752 | Y | 34.6 | Very low | 39.3 | Very low | 203 Ų | 203 | 155.9 Ų | 155.9 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | | | trans | -132.8 | 119.3 | 158.4 | -93.9 | -74.5 | 0 | 0 | 0 | 110.5 | I750 | I750-Y752 HydrophobicContact CG2-CD2 3.7Å; I750-Y752 HydrophobicContact CG2-CE2 3.68Å; I750-Y752 PolarHBondContact O-N 2.65Å |
| 753 | P | 38.2 | Very low | 39.3 | Very low | 114 Ų | 114 | 150.5 Ų | 150.5 | 74% | 0.74 | 76% | 0.76 | S | S | * | * | | | trans | -87.3 | 124.6 | -179.7 | 32.9 | -31.8 | 0 | 0 | 0 | 111.1 | | |
| 754 | T | 36.6 | Very low | 39.3 | Very low | 134 Ų | 134 | 154.6 Ų | 154.6 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | | | trans | -109.3 | 105.8 | 174.3 | -48.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 755 | Q | 37.5 | Very low | 39.2 | Very low | 169 Ų | 169 | 149 Ų | 149 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | | | trans | -51.1 | 157.4 | 162.3 | -55.6 | 170.1 | 20.1 | 0 | 0 | 109.2 | | |
| 756 | I | 36.3 | Very low | 38.9 | Very low | 148 Ų | 148 | 146.9 Ų | 146.9 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | | | | -175.2 | 120 | 96.6 | -90.3 | 156.8 | 0 | 0 | 0 | 109 | | |
| 757 | N | 35.5 | Very low | 38.8 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 63% | 0.626 | 76% | 0.763 | S | S | * | * | | | trans | 43.1 | 99 | 135.5 | -171.9 | 30.6 | 0 | 0 | 0 | 119.2 | K759 | N757-K759 PolarHBondContact OD1-N 3.38Š|
| 758 | M | 41.2 | Very low | 38.6 | Very low | 195 Ų | 195 | 146.4 Ų | 146.4 | 96% | 0.961 | 77% | 0.767 | S | S | * | * | | | trans | -106.2 | 98.7 | 137.2 | -77.9 | -158.1 | -68.7 | 0 | 0 | 109.8 | D760 | M758-D760 PolarHBondContact O-N 3.45Š|
| 759 | K | 40.5 | Very low | 38.6 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 73% | 0.726 | 77% | 0.771 | S | S | * | * | | | trans | -59.8 | 120.5 | 156.1 | -102.8 | 173.3 | 174.2 | 175.3 | 0 | 108.5 | N757 | N757-K759 PolarHBondContact OD1-N 3.38Š|
| 760 | D | 41.8 | Very low | 38.8 | Very low | 142 Ų | 142 | 144.7 Ų | 144.7 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | | 175.6 | 148.9 | 108.6 | -85.7 | -23.8 | 0 | 0 | 0 | 111.7 | M758 | M758-D760 PolarHBondContact O-N 3.45Š|
| 761 | S | 38.8 | Very low | 38.6 | Very low | 96 Ų | 96 | 146.2 Ų | 146.2 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | | | trans | 22 | 118.3 | 159.1 | 65.9 | 0 | 0 | 0 | 0 | 118.7 | | |
| 762 | Y | 37 | Very low | 38.7 | Very low | 222 Ų | 222 | 144.9 Ų | 144.9 | 87% | 0.871 | 77% | 0.773 | S | S | * | * | | | cis | -148.9 | 148.4 | 43.6 | -100.4 | -89.9 | 0 | 0 | 0 | 113.3 | | |
| 763 | S | 33.7 | Very low | 39.3 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | | | trans | -136.6 | 119.6 | 170.9 | -174.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 764 | F | 41.3 | Very low | 39.5 | Very low | 202 Ų | 202 | 142.3 Ų | 142.3 | 89% | 0.886 | 76% | 0.762 | S | S | * | * | | | trans | -152 | 133.9 | 153.9 | -90.9 | -82.2 | 0 | 0 | 0 | 103.7 | | |
| 765 | G | 38.7 | Very low | 39.9 | Very low | 72 Ų | 72 | 145 Ų | 145 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | | | cis | 95.5 | 133.3 | 44.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 766 | S | 39.8 | Very low | 40.9 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | | | cis | -148.4 | 141.1 | 10.6 | -177.4 | 0 | 0 | 0 | 0 | 106.1 | | |
| 767 | S | 37.7 | Very low | 41.2 | Very low | 97 Ų | 97 | 141 Ų | 141 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | | | | 54.9 | 139 | 64.9 | -58 | 0 | 0 | 0 | 0 | 114.4 | | |
| 768 | Y | 35.8 | Very low | 41.5 | Very low | 216 Ų | 216 | 139.5 Ų | 139.5 | 85% | 0.847 | 76% | 0.757 | S | S | * | * | | | trans | 90.2 | 147.6 | 170.8 | -59.4 | -67.4 | 0 | 0 | 0 | 118.7 | | |
| 769 | P | 45.6 | Very low | 41.3 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | | | trans | -138.2 | -127.7 | -136.1 | 42.3 | -19.6 | 0 | 0 | 0 | 113.3 | | |
| 770 | T | 41 | Very low | 41.3 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | trans | 73.2 | 110.9 | -171.3 | 68.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 771 | N | 38.6 | Very low | 41.2 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | | | cis | 88.9 | 145.6 | 31.6 | -157.9 | 12 | 0 | 0 | 0 | 113.5 | | |
| 772 | L | 42.2 | Very low | 41.2 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | | | trans | 69.1 | 112.3 | -159.3 | -50.3 | 173.3 | 0 | 0 | 0 | 111.5 | | |
| 773 | N | 47.1 | Very low | 41.4 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 69% | 0.69 | 76% | 0.757 | S | S | * | * | | | cis | 64.9 | 99.5 | 39.6 | -163.4 | 42.5 | 0 | 0 | 0 | 113.3 | | |
| 774 | E | 42.3 | Very low | 41.7 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 63% | 0.626 | 76% | 0.755 | S | S | * | * | | | | -169.5 | 141.6 | 97.2 | -99.7 | -163.7 | -149.6 | 0 | 0 | 114.5 | | |
| 775 | R | 45.4 | Very low | 41.7 | Very low | 189 Ų | 189 | 136.3 Ų | 136.3 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | | | trans | 34.7 | 126.9 | 142.8 | -83.5 | 178.7 | 168.7 | 173.8 | -3.7 | 120.9 | P777 S778 | R775-P777 CarbonylContact O-C 3.33Å; R775-P777 WeakPolarHBondContact O-CA 3.32Å; R775-S778 PolarHBondContact O-N 2.94Å |
| 776 | S | 57.8 | Low | 41.5 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 87% | 0.867 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | | -51.2 | 109.7 | 116.3 | -74.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 777 | P | 43.9 | Very low | 41.8 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -125.1 | 111.5 | -6.9 | 33.5 | -14.3 | 0 | 0 | 0 | 114 | R775 T779 | R775-P777 CarbonylContact O-C 3.33Å; R775-P777 WeakPolarHBondContact O-CA 3.32Å; P777-T779 HydrophobicContact CB-CG2 4.3Å |
| 778 | S | 41.2 | Very low | 42 | Very low | 86 Ų | 86 | 141.1 Ų | 141.1 | 60% | 0.601 | 74% | 0.742 | S | S | * | * | | | trans | -102.8 | 86.5 | 149.9 | -170.1 | 0 | 0 | 0 | 0 | 108.8 | R775 S780 | R775-S778 PolarHBondContact O-N 2.94Å; S778-S780 PolarHBondContact O-N 3.35Å; S778-S780 VanDerWaalsContact O-N 3.12Å |
| 779 | T | 37.1 | Very low | 42 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | | | trans | -77.9 | 93.1 | -178.7 | 48.3 | 0 | 0 | 0 | 0 | 111.1 | P777 | P777-T779 HydrophobicContact CB-CG2 4.3Š|
| 780 | S | 40.8 | Very low | 41.5 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | | | trans | -143.9 | 168.9 | 165.1 | -163.3 | 0 | 0 | 0 | 0 | 112 | S778 | S778-S780 PolarHBondContact O-N 3.35Å; S778-S780 VanDerWaalsContact O-N 3.12Å |
| 781 | G | 39.2 | Very low | 41.4 | Very low | 68 Ų | 68 | 142.7 Ų | 142.7 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | | | trans | -64.1 | 172.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 782 | R | 39.3 | Very low | 41.2 | Very low | 201 Ų | 201 | 140 Ų | 140 | 76% | 0.758 | 73% | 0.726 | S | S | * | * | | | cis | -156.9 | 141.9 | 26.2 | -156.4 | -177.6 | -170.5 | 170.5 | 4 | 111.9 | R784 | R782-R784 PolarHBondContact O-N 3.04Š|
| 783 | R | 41.4 | Very low | 41.3 | Very low | 238 Ų | 238 | 138 Ų | 138 | 90% | 0.898 | 73% | 0.726 | S | S | * | * | | | trans | -52.1 | 136.3 | 159.2 | -57.7 | 172 | -178.8 | 169.6 | -1.7 | 109.4 | | |
| 784 | R | 39.7 | Very low | 40.9 | Very low | 192 Ų | 192 | 142.2 Ų | 142.2 | 73% | 0.725 | 73% | 0.732 | S | S | * | * | | | trans | -160.7 | 100.5 | 140.4 | -106.4 | 150.9 | -174.2 | -143.6 | -4.5 | 110.7 | R782 | R782-R784 PolarHBondContact O-N 3.04Š|
| 785 | I | 40.5 | Very low | 40.9 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 61% | 0.61 | 74% | 0.739 | S | S | * | * | | | | 93.5 | 97.2 | 116.3 | -71.1 | 177.7 | 0 | 0 | 0 | 111.3 | | |
| 786 | S | 35.9 | Very low | 40.4 | Very low | 93 Ų | 93 | 142.6 Ų | 142.6 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | | | trans | -56 | 130.6 | 140.8 | 46.3 | 0 | 0 | 0 | 0 | 108.2 | F788 | S786-F788 PolarHBondContact O-N 3.48Š|
| 787 | P | 45.1 | Very low | 39.6 | Very low | 118 Ų | 118 | 143.9 Ų | 143.9 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -65.3 | 101.4 | 171.6 | 27.4 | -32.4 | 0 | 0 | 0 | 108.8 | | |
| 788 | F | 42.7 | Very low | 39.2 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 68% | 0.684 | 74% | 0.738 | S | S | * | * | | | trans | 29.9 | 109.5 | 164.5 | -61.8 | -88.5 | 0 | 0 | 0 | 117.2 | S786 | S786-F788 PolarHBondContact O-N 3.48Š|
| 789 | E | 35.8 | Very low | 39.2 | Very low | 137 Ų | 137 | 147.3 Ų | 147.3 | 64% | 0.64 | 75% | 0.749 | S | S | * | * | | | | 56.8 | 132.9 | 74.1 | -65.8 | -164.5 | 148.8 | 0 | 0 | 114.6 | | |
| 790 | N | 34.4 | Very low | 39.4 | Very low | 116 Ų | 116 | 145.6 Ų | 145.6 | 62% | 0.62 | 74% | 0.738 | S | S | * | * | | | trans | 61.6 | 63.7 | 141.4 | -58.7 | -25.1 | 0 | 0 | 0 | 119.6 | | |
| 791 | Y | 39.4 | Very low | 39.2 | Very low | 235 Ų | 235 | 146.1 Ų | 146.1 | 92% | 0.922 | 73% | 0.733 | S | S | * | * | | | | -140.9 | 99.8 | 124.1 | -70.8 | -67.9 | 0 | 0 | 0 | 107.3 | | |
| 792 | S | 34.9 | Very low | 39.4 | Very low | 91 Ų | 91 | 153.7 Ų | 153.7 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | | | cis | 58.9 | 132.5 | 40 | -157.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 793 | S | 42.5 | Very low | 39.4 | Very low | 114 Ų | 114 | 151.8 Ų | 151.8 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | | | trans | 63.7 | 114.3 | 178 | -63.4 | 0 | 0 | 0 | 0 | 118 | | |
| 794 | R | 40 | Very low | 39.6 | Very low | 217 Ų | 217 | 148.1 Ų | 148.1 | 82% | 0.819 | 74% | 0.739 | S | S | * | * | | | trans | -54 | 162 | 151.4 | -62.6 | 170.3 | 167.7 | 176.4 | -4.5 | 109.7 | | |
| 795 | P | 42 | Very low | 39.8 | Very low | 119 Ų | 119 | 144.2 Ų | 144.2 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | | | | -132.6 | 143.4 | 104.3 | 27.9 | -15.1 | 0 | 0 | 0 | 114.4 | | |
| 796 | R | 34.1 | Very low | 40 | Very low | 213 Ų | 213 | 146.6 Ų | 146.6 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | | | trans | -72 | 118.1 | 151.8 | -76 | 169.1 | 160.4 | 169.4 | -9.2 | 107.4 | | |
| 797 | L | 42.7 | Very low | 40.8 | Very low | 151 Ų | 151 | 148.1 Ų | 148.1 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | trans | -146.4 | 108.4 | 146.3 | -71 | -177.5 | 0 | 0 | 0 | 106.3 | | |
| 798 | T | 35.1 | Very low | 40.8 | Very low | 109 Ų | 109 | 148.3 Ų | 148.3 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | | | | 59.5 | 78.8 | 74.7 | 69.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 799 | N | 40.4 | Very low | 40.9 | Very low | 158 Ų | 158 | 149.7 Ų | 149.7 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | | | trans | -154.9 | 135.4 | 150 | -114.9 | -16.5 | 0 | 0 | 0 | 109.2 | | |
| 800 | T | 42.2 | Very low | 41.2 | Very low | 97 Ų | 97 | 148 Ų | 148 | 60% | 0.595 | 76% | 0.758 | S | S | * | * | | | cis | -166.4 | 171.8 | -35.7 | 120.3 | 0 | 0 | 0 | 0 | 107.3 | | |
| 801 | N | 36.4 | Very low | 41.4 | Very low | 127 Ų | 127 | 148 Ų | 148 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | | | trans | -7 | 132 | 149.3 | -37.6 | -62.4 | 0 | 0 | 0 | 114.7 | | |
| 802 | R | 43.7 | Very low | 41.6 | Very low | 226 Ų | 226 | 147.3 Ų | 147.3 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | | | | -154 | 141.7 | 55.2 | -76.7 | 165.7 | -178.9 | 167.9 | -0.6 | 109.3 | | |
| 803 | M | 37.8 | Very low | 42 | Very low | 161 Ų | 161 | 149 Ų | 149 | 79% | 0.793 | 76% | 0.757 | S | S | * | * | | | | 44.1 | 114.9 | 83.3 | -59.1 | -171.9 | 76.5 | 0 | 0 | 114.6 | | |
| 804 | L | 47 | Very low | 41.9 | Very low | 162 Ų | 162 | 153 Ų | 153 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | | | | 179.4 | 165.2 | 106.9 | -88.9 | 174.4 | 0 | 0 | 0 | 110.7 | | |
| 805 | P | 43.9 | Very low | 41.8 | Very low | 110 Ų | 110 | 148.7 Ų | 148.7 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | | | trans | -111.5 | -174.5 | -164.9 | 42.9 | -36.2 | 0 | 0 | 0 | 115.8 | | |
| 806 | K | 43.7 | Very low | 42.1 | Very low | 169 Ų | 169 | 148.3 Ų | 148.3 | 74% | 0.735 | 75% | 0.745 | S | S | * | * | | | trans | -11.4 | 146.2 | 165.9 | -49.5 | 175.1 | 179.9 | 178 | 0 | 119.6 | I808 | K806-I808 HydrophobicContact CB-CD1 4.22Å; K806-I808 HydrophobicContact CB-CG1 3.76Å; K806-I808 HydrophobicContact CD-CD1 4.11Å; K806-I808 HydrophobicContact CD-CG1 3.96Å |
| 807 | P | 53 | Low | 42.2 | Very low | 125 Ų | 125 | 146.7 Ų | 146.7 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | | | | -100.4 | 143.1 | 116.1 | 34.4 | -30.3 | 0 | 0 | 0 | 109.7 | | |
| 808 | I | 44.3 | Very low | 42 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | | | cis | 72.3 | 136.1 | 14.1 | -34.8 | -172.9 | 0 | 0 | 0 | 114.8 | K806 | K806-I808 HydrophobicContact CB-CD1 4.22Å; K806-I808 HydrophobicContact CB-CG1 3.76Å; K806-I808 HydrophobicContact CD-CD1 4.11Å; K806-I808 HydrophobicContact CD-CG1 3.96Å |
| 809 | E | 44.7 | Very low | 42.3 | Very low | 184 Ų | 184 | 145.5 Ų | 145.5 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | | | trans | 72.8 | 142.2 | -179.9 | -44.7 | -168.5 | 171.7 | 0 | 0 | 114.9 | | |
| 810 | S | 42.6 | Very low | 42.4 | Very low | 103 Ų | 103 | 147.4 Ų | 147.4 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | | | cis | -136.8 | 133.3 | 2.2 | 56.2 | 0 | 0 | 0 | 0 | 110 | | |
| 811 | T | 38.7 | Very low | 42.1 | Very low | 116 Ų | 116 | 153.3 Ų | 153.3 | 71% | 0.712 | 76% | 0.755 | S | S | * | * | | | | 71.2 | 88.7 | 76.4 | -45.5 | 0 | 0 | 0 | 0 | 115.4 | | |
| 812 | Y | 44.4 | Very low | 42.4 | Very low | 219 Ų | 219 | 154.5 Ų | 154.5 | 86% | 0.859 | 76% | 0.762 | S | S | * | * | | | trans | -152.8 | 115.8 | 140.9 | -89 | -80.1 | 0 | 0 | 0 | 104.9 | | |
| 813 | E | 43 | Very low | 42.1 | Very low | 127 Ų | 127 | 153 Ų | 153 | 59% | 0.593 | 76% | 0.762 | S | S | * | * | | | | 56.9 | 131.9 | 79.8 | -69.3 | -142.5 | 170.3 | 0 | 0 | 114.2 | | |
| 814 | R | 40.4 | Very low | 42.6 | Very low | 197 Ų | 197 | 152 Ų | 152 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | | | cis | -155.9 | 154.7 | -6.3 | -135.2 | -177.1 | -166.9 | 114.8 | 6.1 | 108.9 | | |
| 815 | N | 38.6 | Very low | 42.2 | Very low | 128 Ų | 128 | 149 Ų | 149 | 68% | 0.684 | 76% | 0.758 | S | S | * | * | | | trans | -83 | 137 | 170.9 | -175 | 8.4 | 0 | 0 | 0 | 110.4 | F817 | N815-F817 PolarHBondContact OD1-N 3.4Š|
| 816 | P | 47.9 | Very low | 42.3 | Very low | 110 Ų | 110 | 151 Ų | 151 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | | | trans | -129.5 | 91.4 | 153.1 | 35.5 | -20.7 | 0 | 0 | 0 | 112.3 | | |
| 817 | F | 36.1 | Very low | 42.4 | Very low | 180 Ų | 180 | 149.7 Ų | 149.7 | 79% | 0.789 | 76% | 0.759 | S | S | * | * | | | trans | -69.9 | 152.3 | 142.5 | -95.7 | -99.9 | 0 | 0 | 0 | 108.8 | N815 | N815-F817 PolarHBondContact OD1-N 3.4Š|
| 818 | T | 38 | Very low | 42 | Very low | 124 Ų | 124 | 154.8 Ų | 154.8 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | | | trans | 69.8 | 148.5 | -168 | 78.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 819 | V | 40.9 | Very low | 42.2 | Very low | 111 Ų | 111 | 154.7 Ų | 154.7 | 67% | 0.673 | 76% | 0.763 | S | S | * | * | | | cis | -148 | 134.8 | 37.8 | 174 | 0 | 0 | 0 | 0 | 112.6 | | |
| 820 | K | 42.6 | Very low | 42.6 | Very low | 198 Ų | 198 | 153.3 Ų | 153.3 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | | | trans | 56.3 | 139.7 | 155.3 | -66.8 | 168 | -172.5 | 175.1 | 0 | 122.4 | | |
| 821 | R | 37 | Very low | 42.9 | Very low | 221 Ų | 221 | 153.3 Ų | 153.3 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | | | trans | -62.6 | 150.7 | 154.7 | -53.4 | 167.2 | 180 | 124.1 | -1.5 | 111 | | |
| 822 | N | 43.1 | Very low | 43.5 | Very low | 152 Ų | 152 | 155.1 Ų | 155.1 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | | | trans | -170.8 | 120.5 | 134.4 | -87.5 | -17.2 | 0 | 0 | 0 | 105.6 | | |
| 823 | F | 37.5 | Very low | 43.6 | Very low | 194 Ų | 194 | 152.1 Ų | 152.1 | 85% | 0.851 | 76% | 0.757 | S | S | * | * | | | | 49.2 | 85.2 | 63.7 | -83.5 | -71.4 | 0 | 0 | 0 | 114.3 | | |
| 824 | T | 46.7 | Very low | 44.2 | Very low | 140 Ų | 140 | 156.5 Ų | 156.5 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | | | trans | -145.2 | 121.8 | 136.5 | 44.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 825 | S | 38.6 | Very low | 45 | Very low | 100 Ų | 100 | 159.6 Ų | 159.6 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | | | trans | -69.9 | 147.1 | 166.5 | 52.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 826 | N | 45.6 | Very low | 45.3 | Very low | 151 Ų | 151 | 161.2 Ų | 161.2 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | | | trans | -157.8 | 115.9 | 138.3 | -92.8 | -35.8 | 0 | 0 | 0 | 107.8 | | |
| 827 | Q | 47.2 | Very low | 45.1 | Very low | 142 Ų | 142 | 163.9 Ų | 163.9 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | | | | 69 | 89.8 | 79.1 | -73.1 | -98.9 | 7.8 | 0 | 0 | 112.6 | | |
| 828 | R | 44.7 | Very low | 45.6 | Very low | 231 Ų | 231 | 163 Ų | 163 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | | | | -178.1 | 110.6 | 108.4 | -95.8 | 165 | -174 | -174.2 | 1.4 | 114 | | |
| 829 | N | 47.6 | Very low | 46.1 | Very low | 121 Ų | 121 | 165.3 Ų | 165.3 | 65% | 0.647 | 80% | 0.799 | S | S | * | * | | | | 56.3 | 137.4 | 113.3 | -69.7 | 46.9 | 0 | 0 | 0 | 123.2 | | |
| 830 | E | 52.7 | Low | 46.4 | Very low | 154 Ų | 154 | 168.7 Ų | 168.7 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | | | trans | 75.9 | 113.1 | 155.9 | -61.1 | -43.3 | 111.7 | 0 | 0 | 120.7 | | |
| 831 | P | 49 | Very low | 46.7 | Very low | 104 Ų | 104 | 166.7 Ų | 166.7 | 68% | 0.675 | 80% | 0.804 | S | S | * | * | | | trans | -85.4 | 168.8 | 155.2 | 38.1 | -32.8 | 0 | 0 | 0 | 110.8 | | |
| 832 | N | 52.2 | Low | 47.4 | Very low | 153 Ų | 153 | 162.9 Ų | 162.9 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -156.8 | 140.3 | 149.6 | -117.4 | -84.2 | 0 | 0 | 0 | 111.3 | | |
| 833 | L | 45.4 | Very low | 47.7 | Very low | 156 Ų | 156 | 163.7 Ų | 163.7 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | | | trans | -78.6 | 154.8 | 168.2 | -72.3 | 73.4 | 0 | 0 | 0 | 109.1 | | |
| 834 | R | 56.9 | Low | 48.5 | Very low | 220 Ų | 220 | 161.2 Ų | 161.2 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | | | trans | -159.2 | 120 | 146.1 | -115.7 | -177.5 | -177.9 | -161.7 | -1.2 | 112.7 | | |
| 835 | F | 55.7 | Low | 48.7 | Very low | 262 Ų | 262 | 163.1 Ų | 163.1 | 100% | 1.149 | 79% | 0.791 | S | S | * | * | | | trans | 58.7 | 0 | 165.4 | -57.4 | -67 | 0 | 0 | 0 | 117.3 | | |