| 1 | M | 40.5 | Very low | 48.8 | Very low | 226 Ų | 226 | 162.2 Ų | 162.2 | 100% | 1.113 | 84% | 0.837 | S | S | * | * | | | | 0 | 110.8 | 0 | -168.9 | 134.2 | 76.3 | 0 | 0 | 107.6 | | |
| 2 | W | 44.9 | Very low | 48.7 | Very low | 246 Ų | 246 | 162.9 Ų | 162.9 | 93% | 0.932 | 83% | 0.834 | S | S | * | * | | | trans | -138.3 | 122.7 | 171.9 | -73 | 96.9 | 0 | 0 | 0 | 107.6 | | |
| 3 | L | 47.4 | Very low | 48.9 | Very low | 161 Ų | 161 | 157.6 Ų | 157.6 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | | | trans | -101.1 | 119.1 | 173.3 | -73.8 | 165.6 | 0 | 0 | 0 | 107.8 | | |
| 4 | I | 55.3 | Low | 49 | Very low | 155 Ų | 155 | 154.8 Ų | 154.8 | 80% | 0.795 | 83% | 0.825 | S | S | * | * | | | trans | -143.1 | 112.5 | 158 | -53 | -177 | 0 | 0 | 0 | 108.8 | | |
| 5 | L | 47.4 | Very low | 49.6 | Very low | 158 Ų | 158 | 152 Ų | 152 | 83% | 0.827 | 82% | 0.823 | S | S | * | * | | | trans | -127.2 | 162.7 | 155 | -91.6 | 94.7 | 0 | 0 | 0 | 106.5 | | |
| 6 | P | 50.6 | Low | 49.6 | Very low | 96 Ų | 96 | 153.1 Ų | 153.1 | 62% | 0.623 | 82% | 0.821 | S | S | * | * | | | cis | -131.6 | 156.2 | -11.1 | 32.4 | -13.8 | 0 | 0 | 0 | 113 | | |
| 7 | A | 54.2 | Low | 49.4 | Very low | 102 Ų | 102 | 150.8 Ų | 150.8 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | | | trans | -105.5 | 104.7 | 157.5 | 0 | 0 | 0 | 0 | 0 | 108 | R9 | A7-R9 VanDerWaalsContact O-N 3.16Å; A7-R9 PolarHBondContact O-N 3.36Å |
| 8 | Q | 48.1 | Very low | 49 | Very low | 178 Ų | 178 | 155.4 Ų | 155.4 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | | | trans | -72.3 | 102.6 | 174.7 | -55.7 | -172 | 12.7 | 0 | 0 | 107.9 | L10 | Q8-L10 VanDerWaalsContact O-N 3.16Å; Q8-L10 PolarHBondContact O-N 3.01Å |
| 9 | R | 45.8 | Very low | 48.9 | Very low | 229 Ų | 229 | 154.3 Ų | 154.3 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | | | trans | -79.1 | 98.8 | 171.1 | -165.3 | 172.8 | 179.3 | 163.5 | -3 | 108 | A7 | A7-R9 VanDerWaalsContact O-N 3.16Å; A7-R9 PolarHBondContact O-N 3.36Å |
| 10 | L | 49.2 | Very low | 48.5 | Very low | 170 Ų | 170 | 153.5 Ų | 153.5 | 89% | 0.89 | 82% | 0.816 | S | S | * | * | | | trans | -66.5 | 127.5 | 169.7 | -171.2 | 74.2 | 0 | 0 | 0 | 109.4 | Q8 | Q8-L10 VanDerWaalsContact O-N 3.16Å; Q8-L10 PolarHBondContact O-N 3.01Å |
| 11 | G | 53.4 | Low | 48.3 | Very low | 63 Ų | 63 | 151.2 Ų | 151.2 | 65% | 0.649 | 81% | 0.81 | S | S | * | * | | | trans | 97 | 75 | 149.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 12 | E | 47.3 | Very low | 48.8 | Very low | 171 Ų | 171 | 145.8 Ų | 145.8 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | | | trans | -145.6 | 110.4 | 144.1 | -114.9 | 151.9 | 94.3 | 0 | 0 | 108 | | |
| 13 | A | 51.4 | Low | 48.8 | Very low | 94 Ų | 94 | 136 Ų | 136 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | | | trans | -65.3 | 131.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | S15 | A13-S15 PolarHBondContact O-N 3.48Å; A13-S15 VanDerWaalsContact O-N 3.08Å |
| 14 | P | 50 | Low | 48.6 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | | | trans | -65.5 | 112.5 | 176.9 | -18.4 | 30.3 | 0 | 0 | 0 | 110.5 | H16 | P14-H16 VanDerWaalsContact C-N 3.26Å; P14-H16 PolarHBondContact O-N 3.38Å |
| 15 | S | 58.7 | Low | 48.3 | Very low | 113 Ų | 113 | 131.9 Ų | 131.9 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -70.8 | 84.8 | 164.6 | 42.2 | 0 | 0 | 0 | 0 | 109.2 | A13 | A13-S15 PolarHBondContact O-N 3.48Å; A13-S15 VanDerWaalsContact O-N 3.08Å |
| 16 | H | 48.7 | Very low | 48.8 | Very low | 170 Ų | 170 | 129.3 Ų | 129.3 | 79% | 0.787 | 78% | 0.779 | S | S | * | * | | | trans | 64.7 | 110.5 | 168.6 | -61.8 | -61.1 | 0 | 0 | 0 | 118.1 | P14 | P14-H16 VanDerWaalsContact C-N 3.26Å; P14-H16 PolarHBondContact O-N 3.38Å |
| 17 | P | 46.8 | Very low | 49.2 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | | | trans | -91.8 | 108 | 171.9 | 34.4 | -26.2 | 0 | 0 | 0 | 110 | | |
| 18 | W | 42.1 | Very low | 49.2 | Very low | 234 Ų | 234 | 133 Ų | 133 | 89% | 0.886 | 77% | 0.774 | S | S | * | * | | | trans | -125.2 | 19.8 | 158.9 | 72.1 | -75 | 0 | 0 | 0 | 112.4 | D20 | W18-D20 PolarHBondContact O-N 3.05Š|
| 19 | T | 47.3 | Very low | 49.5 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -91.2 | 87.4 | 164.9 | -47.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 20 | D | 41.9 | Very low | 50 | Low | 138 Ų | 138 | 124.8 Ų | 124.8 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | | | trans | 33.8 | 113.3 | 153 | -157.2 | -1.1 | 0 | 0 | 0 | 119.5 | W18 | W18-D20 PolarHBondContact O-N 3.05Š|
| 21 | P | 44.3 | Very low | 50.2 | Low | 105 Ų | 105 | 122.3 Ų | 122.3 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | | | trans | -98.3 | 116.8 | 149.4 | 33.1 | -21.6 | 0 | 0 | 0 | 110.3 | G23 | P21-G23 PolarHBondContact O-N 2.78Š|
| 22 | A | 50.2 | Low | 50.5 | Low | 113 Ų | 113 | 122.5 Ų | 122.5 | 93% | 0.934 | 74% | 0.737 | S | S | * | * | | | trans | -50.7 | 88.8 | 133.2 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 23 | G | 44.1 | Very low | 50.9 | Low | 39 Ų | 39 | 120.7 Ų | 120.7 | 40% | 0.402 | 73% | 0.729 | S | S | . | * | S | Bend | trans | -171.3 | 148.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | P21 A25 | P21-G23 PolarHBondContact O-N 2.78Å; G23-A25 PolarHBondContact O-N 3.16Å |
| 24 | P | 43.4 | Very low | 51.2 | Low | 132 Ų | 132 | 123.3 Ų | 123.3 | 86% | 0.857 | 73% | 0.729 | S | S | * | * | | | trans | -58.5 | 119.4 | -161.1 | 24.6 | -32.6 | 0 | 0 | 0 | 110 | A26 | P24-A26 PolarHBondContact O-N 3.3Š|
| 25 | A | 50.4 | Low | 51.4 | Low | 99 Ų | 99 | 123.9 Ų | 123.9 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | | | trans | -50.6 | 96.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | G23 G27 | G23-A25 PolarHBondContact O-N 3.16Å; A25-G27 PolarHBondContact O-N 3.15Å |
| 26 | A | 56.9 | Low | 51.1 | Low | 103 Ų | 103 | 122 Ų | 122 | 85% | 0.851 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | 122.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | P24 | P24-A26 PolarHBondContact O-N 3.3Š|
| 27 | G | 59.2 | Low | 51.3 | Low | 52 Ų | 52 | 121 Ų | 121 | 54% | 0.536 | 71% | 0.706 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 117.4 | 26.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | A25 | A25-G27 PolarHBondContact O-N 3.15Š|
| 28 | R | 53.2 | Low | 51.7 | Low | 223 Ų | 223 | 118.5 Ų | 118.5 | 84% | 0.842 | 70% | 0.696 | S | S | * | * | | | trans | -120.9 | 81.2 | 152.4 | -65.1 | -175.2 | 94.2 | -149.4 | 8.2 | 108.2 | T30 | R28-T30 PolarHBondContact O-N 3.49Š|
| 29 | H | 54.9 | Low | 52.4 | Low | 168 Ų | 168 | 115.8 Ų | 115.8 | 78% | 0.778 | 69% | 0.693 | S | S | * | * | | | trans | -64.6 | 92.3 | 163.8 | -4.6 | -74.6 | 0 | 0 | 0 | 105.7 | C31 | H29-C31 PolarHBondContact O-N 3.22Å; H29-C31 VanDerWaalsContact O-N 3.15Å |
| 30 | T | 55.9 | Low | 52.8 | Low | 67 Ų | 67 | 117 Ų | 117 | 41% | 0.411 | 69% | 0.689 | S | S | . | * | | | trans | -59.1 | 119.1 | 169.1 | 50.6 | 0 | 0 | 0 | 0 | 105.9 | R28 S32 Q33 | R28-T30 PolarHBondContact O-N 3.49Å; T30-S32 PolarHBondContact O-OG 2.79Å; T30-S32 PolarHBondContact OG1-OG 3.41Å; T30-S32 PolarHBondContact O-N 2.99Å; T30-S32 WeakPolarHBondContact CB-OG 3.21Å; T30-Q33 PolarHBondContact O-N 3.35Å |
| 31 | C | 53.9 | Low | 53.6 | Low | 118 Ų | 118 | 120 Ų | 120 | 80% | 0.797 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46 | -18.1 | 177.2 | -170.5 | 0 | 0 | 0 | 0 | 113.3 | H29 Q33 | H29-C31 PolarHBondContact O-N 3.22Å; H29-C31 VanDerWaalsContact O-N 3.15Å; C31-Q33 PolarHBondContact O-N 3.29Å |
| 32 | S | 60 | Low | 54.2 | Low | 67 Ų | 67 | 118.7 Ų | 118.7 | 47% | 0.469 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -62.4 | -29.4 | 172.8 | 52.6 | 0 | 0 | 0 | 0 | 116.4 | T30 C36 | T30-S32 PolarHBondContact O-OG 2.79Å; T30-S32 PolarHBondContact OG1-OG 3.41Å; T30-S32 PolarHBondContact O-N 2.99Å; T30-S32 WeakPolarHBondContact CB-OG 3.21Å; S32-C36 PolarHBondContact O-N 2.78Å; S32-C36 PolarHBondContact O-SG 2.82Å |
| 33 | Q | 56.3 | Low | 54.5 | Low | 133 Ų | 133 | 124.5 Ų | 124.5 | 62% | 0.621 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -76.3 | -36.2 | -175 | -70.2 | -175.8 | 36.9 | 0 | 0 | 113.3 | T30 C31 L35 | T30-Q33 PolarHBondContact O-N 3.35Å; C31-Q33 PolarHBondContact O-N 3.29Å; Q33-L35 VanDerWaalsContact C-N 3.33Å |
| 34 | L | 56.3 | Low | 55.3 | Low | 150 Ų | 150 | 130.5 Ų | 130.5 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -69.1 | -34.3 | 176.8 | -73.9 | 167.4 | 0 | 0 | 0 | 111.6 | | |
| 35 | L | 54.1 | Low | 55.8 | Low | 129 Ų | 129 | 130 Ų | 130 | 68% | 0.675 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -74.1 | -33 | 179.3 | -160.8 | 64.2 | 0 | 0 | 0 | 112.3 | Q33 H37 A38 Q39 | Q33-L35 VanDerWaalsContact C-N 3.33Å; L35-H37 VanDerWaalsContact C-N 3.32Å; L35-H37 PolarHBondContact O-N 3.08Å; L35-A38 PolarHBondContact O-N 3.43Å; L35-Q39 PolarHBondContact O-N 3.16Å |
| 36 | C | 53.9 | Low | 55.9 | Low | 75 Ų | 75 | 131.8 Ų | 131.8 | 51% | 0.507 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -69 | -25 | 177.2 | -75.9 | 0 | 0 | 0 | 0 | 114.2 | S32 Q40 | S32-C36 PolarHBondContact O-N 2.78Å; S32-C36 PolarHBondContact O-SG 2.82Å; C36-Q40 PolarHBondContact O-NE2 2.95Å |
| 37 | H | 52.8 | Low | 55.9 | Low | 147 Ų | 147 | 130.1 Ų | 130.1 | 68% | 0.681 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -78.6 | -29.6 | 173.5 | -85 | -63.3 | 0 | 0 | 0 | 113 | L35 Q39 | L35-H37 VanDerWaalsContact C-N 3.32Å; L35-H37 PolarHBondContact O-N 3.08Å; H37-Q39 VanDerWaalsContact C-N 3.33Å |
| 38 | A | 55.3 | Low | 55.7 | Low | 63 Ų | 63 | 135.1 Ų | 135.1 | 52% | 0.521 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -70.9 | -29.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L35 | L35-A38 PolarHBondContact O-N 3.43Å |
| 39 | Q | 56.3 | Low | 55.8 | Low | 176 Ų | 176 | 131.7 Ų | 131.7 | 82% | 0.822 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -10.1 | -176.1 | -161.5 | 156.2 | 72.2 | 0 | 0 | 114.3 | L35 H37 | L35-Q39 PolarHBondContact O-N 3.16Å; H37-Q39 VanDerWaalsContact C-N 3.33Å |
| 40 | Q | 56.1 | Low | 55.9 | Low | 159 Ų | 159 | 129.4 Ų | 129.4 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -10.4 | -178.8 | -68.7 | -177.8 | 49.7 | 0 | 0 | 114.2 | C36 | C36-Q40 PolarHBondContact O-NE2 2.95Š|
| 41 | R | 57.9 | Low | 55.9 | Low | 202 Ų | 202 | 131 Ų | 131 | 76% | 0.762 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -103.3 | 103.3 | 164.8 | -66.6 | -168.4 | -171.2 | -177.5 | 4 | 105.8 | W43 | R41-W43 VanDerWaalsContact C-N 3.34Å; R41-W43 PolarHBondContact O-N 2.79Å |
| 42 | G | 56.5 | Low | 56.1 | Low | 78 Ų | 78 | 130.8 Ų | 130.8 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | | | trans | -48.9 | 101.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | E44 | G42-E44 PolarHBondContact O-N 3Š|
| 43 | W | 56.3 | Low | 55.7 | Low | 235 Ų | 235 | 135.7 Ų | 135.7 | 89% | 0.89 | 74% | 0.736 | S | S | * | * | | | trans | -81.1 | 86.2 | 162.3 | -91.4 | 43.1 | 0 | 0 | 0 | 105 | R41 P45 | R41-W43 VanDerWaalsContact C-N 3.34Å; R41-W43 PolarHBondContact O-N 2.79Å; W43-P45 WeakPolarHBondContact O-CD 3.37Å |
| 44 | E | 61.6 | Low | 55.7 | Low | 165 Ų | 165 | 134.3 Ų | 134.3 | 77% | 0.771 | 74% | 0.741 | S | S | * | * | | | trans | -68.4 | 120.4 | 151.1 | -82.3 | -176.7 | 84.4 | 0 | 0 | 106.2 | G42 D46 | G42-E44 PolarHBondContact O-N 3Å; E44-D46 VanDerWaalsContact C-N 3.29Å; E44-D46 PolarHBondContact O-N 3.21Å |
| 45 | P | 53.3 | Low | 55.4 | Low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | | | trans | -71.6 | 94.9 | 166.3 | 29 | -28.8 | 0 | 0 | 0 | 106.7 | W43 G47 | W43-P45 WeakPolarHBondContact O-CD 3.37Å; P45-G47 PolarHBondContact O-N 2.77Å |
| 46 | D | 52.3 | Low | 55.3 | Low | 138 Ų | 138 | 133.4 Ų | 133.4 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | | | trans | -61.8 | 105 | 165.4 | -79.8 | -51.2 | 0 | 0 | 0 | 107.5 | E44 H48 | E44-D46 VanDerWaalsContact C-N 3.29Å; E44-D46 PolarHBondContact O-N 3.21Å; D46-H48 PolarHBondContact O-N 2.93Å |
| 47 | G | 57.1 | Low | 55.1 | Low | 67 Ų | 67 | 136.7 Ų | 136.7 | 69% | 0.691 | 75% | 0.749 | S | S | * | * | | | trans | -69.3 | 67.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P45 | P45-G47 PolarHBondContact O-N 2.77Š|
| 48 | H | 54.8 | Low | 54.9 | Low | 158 Ų | 158 | 137.3 Ų | 137.3 | 73% | 0.731 | 75% | 0.751 | S | S | * | * | | | trans | -124.3 | 77.9 | 170 | -70.1 | -64 | 0 | 0 | 0 | 110.3 | D46 T50 | D46-H48 PolarHBondContact O-N 2.93Å; H48-T50 PolarHBondContact O-N 2.97Å |
| 49 | T | 55.9 | Low | 54.9 | Low | 150 Ų | 150 | 140.6 Ų | 140.6 | 92% | 0.92 | 77% | 0.768 | S | S | * | * | | | trans | -67.7 | 86.5 | 157.7 | -13 | 0 | 0 | 0 | 0 | 107.9 | | |
| 50 | T | 57.4 | Low | 54.2 | Low | 121 Ų | 121 | 135.7 Ų | 135.7 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | | | trans | -101.4 | 100.8 | 166.1 | 39.1 | 0 | 0 | 0 | 0 | 109.5 | H48 S52 | H48-T50 PolarHBondContact O-N 2.97Å; T50-S52 PolarHBondContact O-N 3.48Å |
| 51 | S | 55.3 | Low | 53.8 | Low | 100 Ų | 100 | 134.9 Ų | 134.9 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | | | trans | -23.8 | 112.8 | 168.6 | 173 | 0 | 0 | 0 | 0 | 115.3 | H53 | S51-H53 PolarHBondContact O-N 3.37Š|
| 52 | S | 57.6 | Low | 53.6 | Low | 114 Ų | 114 | 129.3 Ų | 129.3 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | | | trans | -87.9 | 98.9 | 156.6 | -77.6 | 0 | 0 | 0 | 0 | 109.1 | T50 S54 | T50-S52 PolarHBondContact O-N 3.48Å; S52-S54 PolarHBondContact O-N 3.11Å; S52-S54 VanDerWaalsContact O-N 3.11Å |
| 53 | H | 53.3 | Low | 53.3 | Low | 169 Ų | 169 | 134.4 Ų | 134.4 | 78% | 0.782 | 76% | 0.755 | S | S | * | * | | | trans | -63.3 | 107.4 | 167.2 | -121.5 | -101 | 0 | 0 | 0 | 107.7 | S51 E55 | S51-H53 PolarHBondContact O-N 3.37Å; H53-E55 PolarHBondContact O-N 3.15Å |
| 54 | S | 54.6 | Low | 53.3 | Low | 104 Ų | 104 | 130.7 Ų | 130.7 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | | | trans | -87.3 | 96.8 | 171.2 | -57.5 | 0 | 0 | 0 | 0 | 107.5 | S52 V56 | S52-S54 PolarHBondContact O-N 3.11Å; S52-S54 VanDerWaalsContact O-N 3.11Å; S54-V56 PolarHBondContact O-N 3.38Å; S54-V56 VanDerWaalsContact O-N 3.15Å |
| 55 | E | 51.1 | Low | 52.8 | Low | 164 Ų | 164 | 131.8 Ų | 131.8 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | | | trans | -72.4 | 103.6 | 176.6 | -157.2 | 174.3 | 110.1 | 0 | 0 | 109.1 | H53 N57 | H53-E55 PolarHBondContact O-N 3.15Å; E55-N57 PolarHBondContact O-N 3.01Å |
| 56 | V | 52.7 | Low | 52.8 | Low | 96 Ų | 96 | 135.6 Ų | 135.6 | 58% | 0.582 | 75% | 0.751 | S | S | * | * | | | trans | -78.2 | 110.5 | 173.1 | 179 | 0 | 0 | 0 | 0 | 107.6 | S54 H58 | S54-V56 PolarHBondContact O-N 3.38Å; S54-V56 VanDerWaalsContact O-N 3.15Å; V56-H58 PolarHBondContact O-N 3.46Å; V56-H58 VanDerWaalsContact CG1-CE1 3.45Å; V56-H58 WeakPolarHBondContact CG1-CE1 3.45Å |
| 57 | N | 49.5 | Very low | 52.7 | Low | 145 Ų | 145 | 134.8 Ų | 134.8 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | | | trans | -66.2 | 100.5 | 170.1 | -88.3 | -83.5 | 0 | 0 | 0 | 109.2 | E55 | E55-N57 PolarHBondContact O-N 3.01Š|
| 58 | H | 48.7 | Very low | 52.5 | Low | 159 Ų | 159 | 138.8 Ų | 138.8 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | | | trans | -83.3 | 125.3 | 171.1 | -66.5 | -60.9 | 0 | 0 | 0 | 109.9 | V56 G60 | V56-H58 PolarHBondContact O-N 3.46Å; V56-H58 VanDerWaalsContact CG1-CE1 3.45Å; V56-H58 WeakPolarHBondContact CG1-CE1 3.45Å; H58-G60 PolarHBondContact O-N 3.38Å |
| 59 | P | 53.6 | Low | 52.2 | Low | 133 Ų | 133 | 136.5 Ų | 136.5 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | | | trans | -78.4 | 111.6 | 171.6 | 31.4 | -28.2 | 0 | 0 | 0 | 108.4 | | |
| 60 | G | 41.6 | Very low | 52 | Low | 72 Ų | 72 | 133.6 Ų | 133.6 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | | | trans | 148.5 | 90 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | H58 | H58-G60 PolarHBondContact O-N 3.38Š|
| 61 | N | 48.7 | Very low | 51.9 | Low | 143 Ų | 143 | 134.8 Ų | 134.8 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | | | trans | -89.3 | 135 | 155.9 | -177.5 | 21.2 | 0 | 0 | 0 | 108.3 | F63 | N61-F63 PolarHBondContact OD1-N 3.29Š|
| 62 | P | 54.5 | Low | 51.6 | Low | 85 Ų | 85 | 136 Ų | 136 | 55% | 0.552 | 74% | 0.737 | S | S | * | * | | | | -150.7 | 23.7 | 119.6 | 39.1 | -21.8 | 0 | 0 | 0 | 115.3 | | |
| 63 | F | 49.8 | Very low | 51.3 | Low | 184 Ų | 184 | 136.9 Ų | 136.9 | 81% | 0.807 | 74% | 0.737 | S | S | * | * | | | trans | -113.9 | 88.9 | 179.7 | -66.2 | -71.6 | 0 | 0 | 0 | 111.4 | N61 H65 | N61-F63 PolarHBondContact OD1-N 3.29Å; F63-H65 PolarHBondContact O-N 2.79Å |
| 64 | H | 56 | Low | 51.2 | Low | 157 Ų | 157 | 135.9 Ų | 135.9 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | | | trans | -13.7 | 110.1 | 155.5 | -70.2 | -90.9 | 0 | 0 | 0 | 115 | | |
| 65 | H | 50.2 | Low | 51.1 | Low | 188 Ų | 188 | 135.5 Ų | 135.5 | 87% | 0.87 | 74% | 0.735 | S | S | * | * | | | trans | -129.7 | 86.9 | 132.8 | -85.6 | -71.8 | 0 | 0 | 0 | 108.5 | F63 | F63-H65 PolarHBondContact O-N 2.79Š|
| 66 | R | 53.4 | Low | 50.8 | Low | 200 Ų | 200 | 136.5 Ų | 136.5 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | | | | -37 | 129.9 | 128.9 | -97.7 | 177.2 | 110.6 | 143.8 | -0.6 | 107.6 | | |
| 67 | D | 51.4 | Low | 50.6 | Low | 121 Ų | 121 | 137.9 Ų | 137.9 | 65% | 0.647 | 74% | 0.743 | S | S | * | * | | | cis | -152.6 | 143.1 | 23.2 | -60.2 | -78.7 | 0 | 0 | 0 | 107.9 | | |
| 68 | N | 51.6 | Low | 50.5 | Low | 152 Ų | 152 | 137.2 Ų | 137.2 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | | | trans | -137.2 | 88.5 | 151.7 | -169.9 | -1.3 | 0 | 0 | 0 | 108.8 | S70 | N68-S70 VanDerWaalsContact C-N 3.31Å; N68-S70 PolarHBondContact O-N 3.36Å; N68-S70 VanDerWaalsContact O-N 3.1Å; N68-S70 PolarHBondContact OD1-N 3Å |
| 69 | P | 49.1 | Very low | 50.8 | Low | 110 Ų | 110 | 136.3 Ų | 136.3 | 71% | 0.714 | 75% | 0.746 | S | S | * | * | | | trans | -73.5 | 99.3 | 158.8 | 31.1 | -26 | 0 | 0 | 0 | 107 | | |
| 70 | S | 51.9 | Low | 50.7 | Low | 89 Ų | 89 | 138.8 Ų | 138.8 | 62% | 0.622 | 75% | 0.746 | S | S | * | * | | | | 32.9 | 109.6 | 127.5 | -180 | 0 | 0 | 0 | 0 | 116.1 | N68 | N68-S70 VanDerWaalsContact C-N 3.31Å; N68-S70 PolarHBondContact O-N 3.36Å; N68-S70 VanDerWaalsContact O-N 3.1Å; N68-S70 PolarHBondContact OD1-N 3Å |
| 71 | L | 54.7 | Low | 51 | Low | 145 Ų | 145 | 147.1 Ų | 147.1 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | | | trans | 42.3 | 103.8 | 136 | -62.5 | 169.1 | 0 | 0 | 0 | 116.9 | | |
| 72 | D | 48.6 | Very low | 51.3 | Low | 127 Ų | 127 | 148.1 Ų | 148.1 | 68% | 0.679 | 76% | 0.755 | S | S | * | * | | | trans | -143.2 | 89 | 143.2 | -132.5 | -62.7 | 0 | 0 | 0 | 109.9 | N74 | D72-N74 PolarHBondContact O-N 3.21Š|
| 73 | V | 52.6 | Low | 50.9 | Low | 131 Ų | 131 | 152.6 Ų | 152.6 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 45.7 | 171.1 | -172.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 74 | N | 51.1 | Low | 50.5 | Low | 148 Ų | 148 | 155.3 Ų | 155.3 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -158.5 | 39.8 | 176.1 | -84.9 | -50.8 | 0 | 0 | 0 | 113 | D72 | D72-N74 PolarHBondContact O-N 3.21Š|
| 75 | S | 53 | Low | 50.2 | Low | 96 Ų | 96 | 155.3 Ų | 155.3 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | | | trans | -149.4 | 65.7 | 172.8 | -78.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 76 | E | 44.3 | Very low | 50.2 | Low | 185 Ų | 185 | 153.5 Ų | 153.5 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | trans | -148.2 | 85.8 | 142.1 | -113.6 | 175.9 | 81.6 | 0 | 0 | 104.3 | S78 | E76-S78 PolarHBondContact O-N 3.48Š|
| 77 | L | 48.7 | Very low | 50 | Low | 125 Ų | 125 | 150.9 Ų | 150.9 | 65% | 0.654 | 79% | 0.793 | S | S | * | * | | | | 45.2 | 80.2 | 103.7 | -70.8 | 171.3 | 0 | 0 | 0 | 109.7 | E79 | L77-E79 HydrophobicContact CB-CB 4.44Å; L77-E79 HydrophobicContact CB-CG 4.37Å; L77-E79 HydrophobicContact CD2-CG 3.97Å; L77-E79 VanDerWaalsContact CD2-OE2 3.28Å; L77-E79 WeakPolarHBondContact CD2-OE2 3.28Å; L77-E79 PolarHBondContact O-N 3.29Å |
| 78 | S | 46.7 | Very low | 50 | Low | 131 Ų | 131 | 152.7 Ų | 152.7 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | | | trans | -59.6 | 57.4 | 145.7 | 174.2 | 0 | 0 | 0 | 0 | 109.4 | E76 | E76-S78 PolarHBondContact O-N 3.48Š|
| 79 | E | 54.8 | Low | 49.9 | Very low | 140 Ų | 140 | 152.8 Ų | 152.8 | 65% | 0.654 | 80% | 0.8 | S | S | * | * | | | trans | -105.5 | 138.2 | 161 | -69.8 | -173.6 | 116.5 | 0 | 0 | 106.1 | L77 | L77-E79 HydrophobicContact CB-CB 4.44Å; L77-E79 HydrophobicContact CB-CG 4.37Å; L77-E79 HydrophobicContact CD2-CG 3.97Å; L77-E79 VanDerWaalsContact CD2-OE2 3.28Å; L77-E79 WeakPolarHBondContact CD2-OE2 3.28Å; L77-E79 PolarHBondContact O-N 3.29Å |
| 80 | E | 51.8 | Low | 49.9 | Very low | 186 Ų | 186 | 155.6 Ų | 155.6 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | | | trans | 81.7 | 61.8 | 172.3 | -142.6 | -178.6 | 103.5 | 0 | 0 | 117.5 | | |
| 81 | R | 48.2 | Very low | 49.8 | Very low | 246 Ų | 246 | 160.4 Ų | 160.4 | 93% | 0.928 | 82% | 0.819 | S | S | * | * | | | trans | -116.3 | 58.1 | 132.1 | -152.6 | -177.3 | -162.1 | -133.3 | 5.3 | 110.3 | H83 | R81-H83 PolarHBondContact O-N 3.1Š|
| 82 | Q | 54.8 | Low | 49.4 | Very low | 165 Ų | 165 | 161.5 Ų | 161.5 | 77% | 0.771 | 82% | 0.824 | S | S | * | * | | | trans | -75.2 | 108.6 | 149.3 | -73.8 | -163.1 | -18.4 | 0 | 0 | 107 | | |
| 83 | H | 46 | Very low | 49.5 | Very low | 179 Ų | 179 | 164.4 Ų | 164.4 | 83% | 0.829 | 84% | 0.836 | S | S | * | * | | | trans | 159.9 | 85.6 | 146 | -89.8 | 92.8 | 0 | 0 | 0 | 109.1 | R81 | R81-H83 PolarHBondContact O-N 3.1Š|
| 84 | N | 41.5 | Very low | 49.2 | Very low | 241 Ų | 241 | 167.5 Ų | 167.5 | 100% | 1.289 | 84% | 0.84 | S | S | * | * | | | | -173 | 0 | 121.4 | -166.4 | -0.6 | 0 | 0 | 0 | 108.3 | | |