| 1 | M | 39.7 | Very low | 44.2 | Very low | 242 Ų | 242 | 159 Ų | 159 | 100% | 1.192 | 84% | 0.841 | S | S | * | * | | | | 0 | 137.4 | 0 | -60.1 | 168.6 | -150.3 | 0 | 0 | 106.9 | | |
| 2 | K | 43.8 | Very low | 43.9 | Very low | 213 Ų | 213 | 150.9 Ų | 150.9 | 93% | 0.926 | 82% | 0.824 | S | S | * | * | | | trans | -96.5 | 141.6 | -172.9 | -72.1 | 177.6 | 174.9 | 178.4 | 0 | 110.7 | | |
| 3 | F | 42.5 | Very low | 43.8 | Very low | 193 Ų | 193 | 159.3 Ų | 159.3 | 85% | 0.846 | 84% | 0.836 | S | S | * | * | | | trans | -75.3 | -172.1 | 166.3 | -79.3 | -93.3 | 0 | 0 | 0 | 110.9 | | |
| 4 | L | 46.3 | Very low | 43.1 | Very low | 179 Ų | 179 | 154.4 Ų | 154.4 | 94% | 0.937 | 84% | 0.843 | S | S | * | * | | | trans | 76.5 | 128.5 | -167 | -62.4 | 73.8 | 0 | 0 | 0 | 111 | | |
| 5 | G | 39.7 | Very low | 42.6 | Very low | 69 Ų | 69 | 148.9 Ų | 148.9 | 71% | 0.711 | 84% | 0.836 | S | S | * | * | | | cis | 145.1 | 103.9 | 10.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | N7 | G5-N7 PolarHBondContact O-N 3.24Å; G5-N7 VanDerWaalsContact O-N 3.17Å |
| 6 | G | 44.8 | Very low | 42.2 | Very low | 82 Ų | 82 | 148.9 Ų | 148.9 | 85% | 0.845 | 84% | 0.841 | S | S | * | * | | | trans | -79.4 | 99.1 | -164.2 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 7 | N | 44.4 | Very low | 41.5 | Very low | 140 Ų | 140 | 144.1 Ų | 144.1 | 75% | 0.749 | 83% | 0.832 | S | S | * | * | | | trans | -126.4 | 80.3 | 160.4 | -84.9 | 73.8 | 0 | 0 | 0 | 108 | G5 D9 | G5-N7 PolarHBondContact O-N 3.24Å; G5-N7 VanDerWaalsContact O-N 3.17Å; N7-D9 PolarHBondContact O-N 3.2Å |
| 8 | D | 46.9 | Very low | 41.3 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 62% | 0.62 | 83% | 0.832 | S | S | * | * | | | trans | -92.2 | 81.2 | 176.1 | -138.1 | -50.5 | 0 | 0 | 0 | 108.1 | R10 | D8-R10 VanDerWaalsContact CG-NH2 3.35Å; D8-R10 PolarHBondContact O-N 3.5Å; D8-R10 WeakPolarHBondContact OD1-CG 3.32Å; D8-R10 IonicContact OD1-CZ 3.35Å; D8-R10 IonicContact OD1-NE 3.37Å; D8-R10 PolarHBondContact OD1-NE 3.09Å; D8-R10 IonicContact OD1-NH2 3.11Å; D8-R10 PolarHBondContact OD1-NH2 3.17Å; D8-R10 VanDerWaalsContact OD1-NH2 3.11Å; D8-R10 IonicContact OD2-CZ 3.83Å; D8-R10 IonicContact OD2-NE 3.85Å; D8-R10 IonicContact OD2-NH2 2.94Å; D8-R10 PolarHBondContact OD2-NH2 3.36Å |
| 9 | D | 46.7 | Very low | 40.7 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 77% | 0.77 | 83% | 0.83 | S | S | * | * | | | trans | -67.4 | 73 | 177.7 | -75.6 | -63.3 | 0 | 0 | 0 | 111.5 | N7 N11 | N7-D9 PolarHBondContact O-N 3.2Å; D9-N11 VanDerWaalsContact C-N 3.35Å; D9-N11 PolarHBondContact O-N 3.03Å |
| 10 | R | 50.6 | Low | 40.5 | Very low | 210 Ų | 210 | 139.3 Ų | 139.3 | 79% | 0.792 | 83% | 0.825 | S | S | * | * | | | trans | -92.5 | 66.7 | 175.1 | -63.5 | -166.9 | -162.6 | 167.6 | 15.1 | 112.3 | D8 | D8-R10 VanDerWaalsContact CG-NH2 3.35Å; D8-R10 PolarHBondContact O-N 3.5Å; D8-R10 WeakPolarHBondContact OD1-CG 3.32Å; D8-R10 IonicContact OD1-CZ 3.35Å; D8-R10 IonicContact OD1-NE 3.37Å; D8-R10 PolarHBondContact OD1-NE 3.09Å; D8-R10 IonicContact OD1-NH2 3.11Å; D8-R10 PolarHBondContact OD1-NH2 3.17Å; D8-R10 VanDerWaalsContact OD1-NH2 3.11Å; D8-R10 IonicContact OD2-CZ 3.83Å; D8-R10 IonicContact OD2-NE 3.85Å; D8-R10 IonicContact OD2-NH2 2.94Å; D8-R10 PolarHBondContact OD2-NH2 3.36Å |
| 11 | N | 41.4 | Very low | 40.1 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -115.7 | 128.6 | 146.1 | -166.1 | 8.3 | 0 | 0 | 0 | 109.1 | D9 | D9-N11 VanDerWaalsContact C-N 3.35Å; D9-N11 PolarHBondContact O-N 3.03Å |
| 12 | G | 40 | Very low | 39.7 | Very low | 62 Ų | 62 | 132.6 Ų | 132.6 | 64% | 0.639 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 82.3 | 76.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 13 | R | 43.2 | Very low | 39.7 | Very low | 260 Ų | 260 | 131.1 Ų | 131.1 | 98% | 0.981 | 80% | 0.804 | S | S | * | * | | | trans | -170.6 | 90.9 | 139.5 | -103.4 | 160.9 | -152.9 | -153.3 | 5.9 | 111.1 | | |
| 14 | G | 33.8 | Very low | 39.3 | Very low | 90 Ų | 90 | 128.1 Ų | 128.1 | 93% | 0.928 | 80% | 0.801 | S | S | * | * | | | trans | -144.3 | 58.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 15 | G | 34.6 | Very low | 38.5 | Very low | 72 Ų | 72 | 122.9 Ų | 122.9 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | | | trans | -148.7 | 94 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 16 | V | 36.3 | Very low | 38.7 | Very low | 150 Ų | 150 | 125.5 Ų | 125.5 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | | | trans | -150.9 | 133.2 | 158.6 | -171.4 | 0 | 0 | 0 | 0 | 107.5 | | |
| 17 | G | 30.8 | Very low | 38.4 | Very low | 67 Ų | 67 | 133.3 Ų | 133.3 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | | | trans | 141.5 | 56 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 18 | V | 37.3 | Very low | 38.1 | Very low | 138 Ų | 138 | 130.8 Ų | 130.8 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | | | | 56.2 | 95.3 | 96.6 | -171.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 19 | G | 31.4 | Very low | 37.6 | Very low | 77 Ų | 77 | 127.8 Ų | 127.8 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | | | trans | -164.3 | 98.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 20 | T | 35.6 | Very low | 37.5 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | | | trans | -75.5 | 163.2 | 178.5 | -33 | 0 | 0 | 0 | 0 | 110.7 | | |
| 21 | D | 32.3 | Very low | 37.1 | Very low | 152 Ų | 152 | 121.9 Ų | 121.9 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | | | trans | 72.8 | 83.5 | 161.4 | -53.3 | -44 | 0 | 0 | 0 | 119 | | |
| 22 | A | 30.5 | Very low | 37 | Very low | 90 Ų | 90 | 121 Ų | 121 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | | | trans | -159.6 | 87.5 | 137.3 | 0 | 0 | 0 | 0 | 0 | 112 | V24 | A22-V24 VanDerWaalsContact C-N 3.27Å; A22-V24 PolarHBondContact O-N 2.81Å |
| 23 | I | 44.4 | Very low | 37 | Very low | 181 Ų | 181 | 123.9 Ų | 123.9 | 93% | 0.928 | 79% | 0.793 | S | S | * | * | | | trans | -74.1 | 86 | 160.8 | -59.3 | 174 | 0 | 0 | 0 | 107.5 | | |
| 24 | V | 33.8 | Very low | 36.7 | Very low | 131 Ų | 131 | 114.8 Ų | 114.8 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | | | trans | -141.3 | 114.8 | 171.5 | -177 | 0 | 0 | 0 | 0 | 111.1 | A22 | A22-V24 VanDerWaalsContact C-N 3.27Å; A22-V24 PolarHBondContact O-N 2.81Å |
| 25 | G | 29.7 | Very low | 37 | Very low | 68 Ų | 68 | 113.7 Ų | 113.7 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | | | trans | 83.1 | 89.5 | 151.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | R27 | G25-R27 PolarHBondContact O-N 3.22Š|
| 26 | S | 44.6 | Very low | 37.3 | Very low | 124 Ų | 124 | 116.1 Ų | 116.1 | 87% | 0.867 | 75% | 0.751 | S | S | * | * | | | trans | -57.2 | 115.4 | 155 | -47.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 27 | R | 38.2 | Very low | 37.5 | Very low | 247 Ų | 247 | 112 Ų | 112 | 93% | 0.932 | 73% | 0.733 | S | S | * | * | | | trans | -173.1 | 121.3 | 160.4 | -102.8 | 155.4 | -155.7 | -156.9 | 6.6 | 111.4 | G25 | G25-R27 PolarHBondContact O-N 3.22Š|
| 28 | G | 38 | Very low | 37.9 | Very low | 87 Ų | 87 | 111.8 Ų | 111.8 | 90% | 0.897 | 72% | 0.724 | S | S | * | * | | | trans | 90.2 | 102.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 29 | G | 36.1 | Very low | 38.1 | Very low | 53 Ų | 53 | 107.4 Ų | 107.4 | 55% | 0.546 | 71% | 0.707 | S | S | . | * | | | trans | -173.7 | 7.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | S31 | G29-S31 PolarHBondContact O-N 3.24Š|
| 30 | V | 44.8 | Very low | 38.6 | Very low | 136 Ų | 136 | 106.9 Ų | 106.9 | 82% | 0.824 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 42.4 | -176.5 | -68.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 31 | S | 42.2 | Very low | 38.8 | Very low | 94 Ų | 94 | 104.3 Ų | 104.3 | 66% | 0.657 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.1 | -6.5 | -173.7 | -55.4 | 0 | 0 | 0 | 0 | 115.3 | G29 | G29-S31 PolarHBondContact O-N 3.24Š|
| 32 | Q | 38.7 | Very low | 39.1 | Very low | 141 Ų | 141 | 100 Ų | 100 | 66% | 0.659 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -80.2 | -51.4 | 167.2 | -110.1 | 74.1 | 17.3 | 0 | 0 | 110.9 | A34 A35 | Q32-A34 VanDerWaalsContact C-N 3.28Å; Q32-A34 PolarHBondContact O-N 3.07Å; Q32-A34 VanDerWaalsContact O-N 3.14Å; Q32-A35 PolarHBondContact O-N 2.94Å; Q32-A35 VanDerWaalsContact O-N 3.07Å |
| 33 | D | 40 | Very low | 39.5 | Very low | 124 Ų | 124 | 99.2 Ų | 99.2 | 66% | 0.663 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -62.2 | -29.2 | -169.7 | -53.3 | -71.1 | 0 | 0 | 0 | 114.6 | A35 A37 | D33-A35 VanDerWaalsContact C-N 3.34Å; D33-A37 WeakPolarHBondContact O-CB 3.43Å; D33-A37 PolarHBondContact O-N 3.35Å; D33-A37 VanDerWaalsContact O-N 3.11Å |
| 34 | A | 38.5 | Very low | 39.4 | Very low | 69 Ų | 69 | 94.7 Ų | 94.7 | 57% | 0.57 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.6 | -27.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q32 A38 | Q32-A34 VanDerWaalsContact C-N 3.28Å; Q32-A34 PolarHBondContact O-N 3.07Å; Q32-A34 VanDerWaalsContact O-N 3.14Å; A34-A38 PolarHBondContact O-N 3.42Å |
| 35 | A | 39.7 | Very low | 39.7 | Very low | 66 Ų | 66 | 92.6 Ų | 92.6 | 55% | 0.545 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -76.4 | -42.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q32 D33 A38 G39 | Q32-A35 PolarHBondContact O-N 2.94Å; Q32-A35 VanDerWaalsContact O-N 3.07Å; D33-A35 VanDerWaalsContact C-N 3.34Å; A35-A38 PolarHBondContact O-N 2.83Å; A35-G39 PolarHBondContact O-N 3.25Å |
| 36 | D | 40.8 | Very low | 40.2 | Very low | 124 Ų | 124 | 93.9 Ų | 93.9 | 66% | 0.663 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.8 | -36.7 | 176.8 | -74 | -42.4 | 0 | 0 | 0 | 112.1 | A38 G39 A40 | D36-A38 PolarHBondContact O-N 2.94Å; D36-G39 PolarHBondContact O-N 3.11Å; D36-A40 PolarHBondContact O-N 2.73Å |
| 37 | A | 40.4 | Very low | 39.8 | Very low | 64 Ų | 64 | 91.7 Ų | 91.7 | 53% | 0.529 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -62.6 | -38.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D33 A41 | D33-A37 WeakPolarHBondContact O-CB 3.43Å; D33-A37 PolarHBondContact O-N 3.35Å; D33-A37 VanDerWaalsContact O-N 3.11Å; A37-A41 WeakPolarHBondContact O-CB 3.27Å; A37-A41 PolarHBondContact O-N 2.81Å; A37-A41 VanDerWaalsContact O-N 3.1Å |
| 38 | A | 39.1 | Very low | 39.4 | Very low | 61 Ų | 61 | 89 Ų | 89 | 50% | 0.504 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -69.8 | -37.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A34 A35 D36 A41 A42 | A34-A38 PolarHBondContact O-N 3.42Å; A35-A38 PolarHBondContact O-N 2.83Å; D36-A38 PolarHBondContact O-N 2.94Å; A38-A41 PolarHBondContact O-N 3.39Å; A38-A42 PolarHBondContact O-N 3.04Å |
| 39 | G | 41.2 | Very low | 39.3 | Very low | 46 Ų | 46 | 91 Ų | 91 | 47% | 0.474 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -62.8 | -42.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | A35 D36 A42 A43 | A35-G39 PolarHBondContact O-N 3.25Å; D36-G39 PolarHBondContact O-N 3.11Å; G39-A42 PolarHBondContact O-N 2.84Å; G39-A43 PolarHBondContact O-N 3.42Å |
| 40 | A | 42.5 | Very low | 39 | Very low | 67 Ų | 67 | 97 Ų | 97 | 55% | 0.554 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -65.4 | -40 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D36 A43 A44 | D36-A40 PolarHBondContact O-N 2.73Å; A40-A43 PolarHBondContact O-N 3.4Å; A40-A44 PolarHBondContact O-N 3.49Å |
| 41 | A | 39.9 | Very low | 38.3 | Very low | 65 Ų | 65 | 99.1 Ų | 99.1 | 54% | 0.537 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -67.1 | -37.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A37 A38 A43 A44 | A37-A41 WeakPolarHBondContact O-CB 3.27Å; A37-A41 PolarHBondContact O-N 2.81Å; A37-A41 VanDerWaalsContact O-N 3.1Å; A38-A41 PolarHBondContact O-N 3.39Å; A41-A43 VanDerWaalsContact C-N 3.34Å; A41-A43 PolarHBondContact O-N 3.37Å; A41-A44 PolarHBondContact O-N 2.76Å |
| 42 | A | 38.8 | Very low | 37.8 | Very low | 63 Ų | 63 | 103.2 Ų | 103.2 | 52% | 0.521 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -66.5 | -34.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A38 G39 A44 A45 | A38-A42 PolarHBondContact O-N 3.04Å; G39-A42 PolarHBondContact O-N 2.84Å; A42-A44 VanDerWaalsContact C-N 3.3Å; A42-A44 PolarHBondContact O-N 3.13Å; A42-A45 PolarHBondContact O-N 3.15Å |
| 43 | A | 39.2 | Very low | 37.3 | Very low | 72 Ų | 72 | 107.3 Ų | 107.3 | 60% | 0.595 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -69.2 | -23.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G39 A40 A41 | G39-A43 PolarHBondContact O-N 3.42Å; A40-A43 PolarHBondContact O-N 3.4Å; A41-A43 VanDerWaalsContact C-N 3.34Å; A41-A43 PolarHBondContact O-N 3.37Å |
| 44 | A | 41.7 | Very low | 37 | Very low | 87 Ų | 87 | 107.7 Ų | 107.7 | 72% | 0.719 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -78.5 | -19 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A40 A41 A42 | A40-A44 PolarHBondContact O-N 3.49Å; A41-A44 PolarHBondContact O-N 2.76Å; A42-A44 VanDerWaalsContact C-N 3.3Å; A42-A44 PolarHBondContact O-N 3.13Å |
| 45 | A | 40.7 | Very low | 36.5 | Very low | 86 Ų | 86 | 109.8 Ų | 109.8 | 71% | 0.711 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -88.8 | -10.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A42 | A42-A45 PolarHBondContact O-N 3.15Š|
| 46 | V | 40.1 | Very low | 36.4 | Very low | 95 Ų | 95 | 113.1 Ų | 113.1 | 58% | 0.576 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -116.7 | 108.7 | 172.6 | -176 | 0 | 0 | 0 | 0 | 108 | Y48 | V46-Y48 VanDerWaalsContact C-N 3.33Å; V46-Y48 HydrophobicContact CG1-CD2 4.29Å; V46-Y48 PolarHBondContact O-N 3.46Å |
| 47 | G | 35 | Very low | 36 | Very low | 78 Ų | 78 | 111.1 Ų | 111.1 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | | | trans | -65.4 | 79.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 48 | Y | 30.2 | Very low | 35.7 | Very low | 190 Ų | 190 | 111.9 Ų | 111.9 | 75% | 0.745 | 72% | 0.717 | S | S | * | * | | | trans | -112.3 | 94.2 | 157.4 | -83.2 | -82 | 0 | 0 | 0 | 108.9 | V46 F50 | V46-Y48 VanDerWaalsContact C-N 3.33Å; V46-Y48 HydrophobicContact CG1-CD2 4.29Å; V46-Y48 PolarHBondContact O-N 3.46Å; Y48-F50 PolarHBondContact O-N 3.46Å |
| 49 | V | 35 | Very low | 35.5 | Very low | 130 Ų | 130 | 116.1 Ų | 116.1 | 79% | 0.788 | 74% | 0.736 | S | S | * | * | | | trans | -67.5 | 86.9 | 168 | 179.7 | 0 | 0 | 0 | 0 | 108.2 | Q51 | V49-Q51 HydrophobicContact CG1-CG 4.44Å; V49-Q51 PolarHBondContact O-N 3.32Å |
| 50 | F | 31 | Very low | 34.9 | Very low | 179 Ų | 179 | 117.4 Ų | 117.4 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | | | trans | -64.6 | 104.2 | 156.7 | -85.2 | -84.7 | 0 | 0 | 0 | 107.2 | Y48 Q52 | Y48-F50 PolarHBondContact O-N 3.46Å; F50-Q52 VanDerWaalsContact C-N 3.27Å; F50-Q52 PolarHBondContact O-N 3.48Å |
| 51 | Q | 30.2 | Very low | 34.6 | Very low | 180 Ų | 180 | 120.8 Ų | 120.8 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | | | trans | -60.1 | 94.4 | 165.5 | -73.6 | 178.5 | 67.9 | 0 | 0 | 108 | V49 R53 | V49-Q51 HydrophobicContact CG1-CG 4.44Å; V49-Q51 PolarHBondContact O-N 3.32Å; Q51-R53 PolarHBondContact O-N 3.49Å |
| 52 | Q | 31.5 | Very low | 34.1 | Very low | 181 Ų | 181 | 121.2 Ų | 121.2 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | trans | -63.1 | 103.1 | 168.2 | -75 | -172.4 | -3.4 | 0 | 0 | 107.8 | F50 P54 | F50-Q52 VanDerWaalsContact C-N 3.27Å; F50-Q52 PolarHBondContact O-N 3.48Å; Q52-P54 VanDerWaalsContact O-CD 3.32Å; Q52-P54 WeakPolarHBondContact O-CD 3.11Å |
| 53 | R | 28.7 | Very low | 33.9 | Very low | 227 Ų | 227 | 125.1 Ų | 125.1 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | | | trans | -54.5 | 124 | 165.8 | -93.2 | -175.8 | 165.3 | -139.2 | -0.2 | 108.5 | Q51 S55 | Q51-R53 PolarHBondContact O-N 3.49Å; R53-S55 PolarHBondContact O-N 3.13Å; R53-S55 VanDerWaalsContact O-N 3.07Å |
| 54 | P | 33.8 | Very low | 33.4 | Very low | 131 Ų | 131 | 125.4 Ų | 125.4 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | | | trans | -64.7 | 110.4 | 164.4 | -16.3 | 30.9 | 0 | 0 | 0 | 108.2 | Q52 | Q52-P54 VanDerWaalsContact O-CD 3.32Å; Q52-P54 WeakPolarHBondContact O-CD 3.11Å |
| 55 | S | 27.9 | Very low | 32.8 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | trans | -88.8 | 122.2 | 169.7 | -121.8 | 0 | 0 | 0 | 0 | 108.4 | R53 | R53-S55 PolarHBondContact O-N 3.13Å; R53-S55 VanDerWaalsContact O-N 3.07Å |
| 56 | P | 36.8 | Very low | 32.6 | Very low | 135 Ų | 135 | 128.3 Ų | 128.3 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | | | trans | -79.4 | 124.7 | -173.3 | 30.2 | -33.9 | 0 | 0 | 0 | 112 | | |
| 57 | G | 32.4 | Very low | 32 | Very low | 83 Ų | 83 | 127.5 Ų | 127.5 | 86% | 0.856 | 83% | 0.826 | S | S | * | * | | | trans | 166 | 108.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 58 | G | 33.2 | Very low | 32 | Very low | 80 Ų | 80 | 127.9 Ų | 127.9 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | | | trans | 152.6 | 47.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | G60 | G58-G60 PolarHBondContact O-N 3.18Š|
| 59 | V | 35.2 | Very low | 32 | Very low | 149 Ų | 149 | 122.1 Ų | 122.1 | 90% | 0.903 | 83% | 0.828 | S | S | * | * | | | trans | -84.8 | 106.2 | 170.9 | -172.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 60 | G | 30.2 | Very low | 32.1 | Very low | 74 Ų | 74 | 123 Ų | 123 | 76% | 0.763 | 83% | 0.833 | S | S | * | * | | | trans | -130.9 | 101 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | G58 | G58-G60 PolarHBondContact O-N 3.18Š|
| 61 | V | 34.3 | Very low | 32.5 | Very low | 138 Ų | 138 | 120.1 Ų | 120.1 | 84% | 0.836 | 83% | 0.833 | S | S | * | * | | | trans | -85.5 | 129.9 | 176.7 | 176.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 62 | G | 29.5 | Very low | 32.8 | Very low | 74 Ų | 74 | 115 Ų | 115 | 76% | 0.763 | 83% | 0.828 | S | S | * | * | | | trans | -167.8 | 115.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 63 | V | 35 | Very low | 33 | Very low | 144 Ų | 144 | 112.9 Ų | 112.9 | 87% | 0.873 | 83% | 0.827 | S | S | * | * | | | trans | -113.1 | 134.4 | -172.7 | 172.4 | 0 | 0 | 0 | 0 | 111 | | |
| 64 | G | 29.7 | Very low | 33.6 | Very low | 78 Ų | 78 | 106.1 Ų | 106.1 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | | | trans | 92.9 | 136.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 65 | G | 28.9 | Very low | 33.6 | Very low | 72 Ų | 72 | 103.4 Ų | 103.4 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | | | cis | 175.3 | 165.7 | -7.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 66 | V | 36.5 | Very low | 34.5 | Very low | 162 Ų | 162 | 105.6 Ų | 105.6 | 98% | 0.982 | 83% | 0.826 | S | S | * | * | | | trans | 66.2 | 101.5 | 167.2 | -165.3 | 0 | 0 | 0 | 0 | 116.9 | | |
| 67 | G | 28.2 | Very low | 34.8 | Very low | 79 Ų | 79 | 102.6 Ų | 102.6 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | | | trans | 165.9 | 47.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 68 | G | 34.8 | Very low | 34.9 | Very low | 85 Ų | 85 | 103.7 Ų | 103.7 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | S | Bend | trans | 69.5 | 115.7 | 157.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 69 | G | 30.3 | Very low | 35.4 | Very low | 69 Ų | 69 | 103.9 Ų | 103.9 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 114.9 | 120.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | P71 | G69-P71 VanDerWaalsContact O-CD 3.27Å; G69-P71 WeakPolarHBondContact O-CD 3.5Å |
| 70 | V | 36.6 | Very low | 35.7 | Very low | 148 Ų | 148 | 105.2 Ų | 105.2 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | | | trans | -70.1 | 121.7 | -169.4 | -179.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 71 | P | 38.1 | Very low | 36.4 | Very low | 120 Ų | 120 | 109.3 Ų | 109.3 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | | | trans | -108.4 | 121.9 | 173 | 32.8 | -18.4 | 0 | 0 | 0 | 112.4 | G69 | G69-P71 VanDerWaalsContact O-CD 3.27Å; G69-P71 WeakPolarHBondContact O-CD 3.5Å |
| 72 | G | 37 | Very low | 36.7 | Very low | 72 Ų | 72 | 108.9 Ų | 108.9 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | | | trans | 90.8 | 111.3 | 155 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 73 | V | 35.8 | Very low | 37 | Very low | 136 Ų | 136 | 108.1 Ų | 108.1 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | | | trans | -124 | 77.3 | 146.5 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | A75 | V73-A75 HydrophobicContact CG1-CB 4.15Š|
| 74 | G | 41.3 | Very low | 37.3 | Very low | 86 Ų | 86 | 104.2 Ų | 104.2 | 89% | 0.887 | 76% | 0.757 | S | S | * | * | | | trans | -92.7 | 85.5 | 148 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 75 | A | 33.4 | Very low | 37.8 | Very low | 74 Ų | 74 | 103.9 Ų | 103.9 | 61% | 0.612 | 75% | 0.747 | S | S | * | * | | | trans | -143.5 | 122.4 | 176 | 0 | 0 | 0 | 0 | 0 | 110.5 | V73 G77 | V73-A75 HydrophobicContact CG1-CB 4.15Å; A75-G77 PolarHBondContact O-N 3.24Å |
| 76 | V | 47.3 | Very low | 38.4 | Very low | 160 Ų | 160 | 103.6 Ų | 103.6 | 97% | 0.97 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -65.1 | 120.1 | 166.3 | 174.3 | 0 | 0 | 0 | 0 | 108 | | |
| 77 | G | 42.7 | Very low | 38.7 | Very low | 72 Ų | 72 | 102.6 Ų | 102.6 | 74% | 0.742 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 128.4 | 36.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | A75 | A75-G77 PolarHBondContact O-N 3.24Š|
| 78 | S | 36 | Very low | 39.3 | Very low | 105 Ų | 105 | 106.7 Ų | 106.7 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | | | trans | -175.1 | 140.1 | 155.2 | 51.4 | 0 | 0 | 0 | 0 | 107.3 | | |
| 79 | T | 42.5 | Very low | 39.6 | Very low | 84 Ų | 84 | 105.9 Ų | 105.9 | 52% | 0.515 | 70% | 0.699 | S | S | . | * | | | cis | -145.9 | 124.3 | 39.6 | 41.5 | 0 | 0 | 0 | 0 | 112.9 | H81 E82 | T79-H81 PolarHBondContact O-N 3.44Å; T79-E82 WeakPolarHBondContact CB-OE2 3.38Å; T79-E82 PolarHBondContact OG1-OE2 3.49Å |
| 80 | L | 42 | Very low | 40.3 | Very low | 178 Ų | 178 | 105.6 Ų | 105.6 | 93% | 0.932 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -77 | 26.9 | 168 | -80.4 | 151.5 | 0 | 0 | 0 | 112.8 | | |
| 81 | H | 44.2 | Very low | 40.6 | Very low | 160 Ų | 160 | 104.1 Ų | 104.1 | 74% | 0.741 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -121.9 | -35.2 | -169.4 | -138.5 | 78.3 | 0 | 0 | 0 | 114 | T79 A83 | T79-H81 PolarHBondContact O-N 3.44Å; H81-A83 VanDerWaalsContact C-N 3.33Å; H81-A83 PolarHBondContact O-N 3.21Å |
| 82 | E | 40.1 | Very low | 41 | Very low | 128 Ų | 128 | 104.3 Ų | 104.3 | 60% | 0.598 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -69.5 | -26.9 | 171.3 | -82.2 | 78.1 | -167.1 | 0 | 0 | 113.3 | T79 A84 A85 | T79-E82 WeakPolarHBondContact CB-OE2 3.38Å; T79-E82 PolarHBondContact OG1-OE2 3.49Å; E82-A84 PolarHBondContact O-N 3.29Å; E82-A85 PolarHBondContact O-N 3.49Å |
| 83 | A | 37.3 | Very low | 41.3 | Very low | 59 Ų | 59 | 103.7 Ų | 103.7 | 49% | 0.488 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -62.4 | -39.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | H81 A85 A86 E87 | H81-A83 VanDerWaalsContact C-N 3.33Å; H81-A83 PolarHBondContact O-N 3.21Å; A83-A85 VanDerWaalsContact C-N 3.3Å; A83-A85 PolarHBondContact O-N 3.27Å; A83-A86 PolarHBondContact O-N 3.19Å; A83-E87 PolarHBondContact O-N 3.27Å |
| 84 | A | 41 | Very low | 41.8 | Very low | 62 Ų | 62 | 102.6 Ų | 102.6 | 51% | 0.512 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -68.5 | -26.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E82 | E82-A84 PolarHBondContact O-N 3.29Å |
| 85 | A | 38.8 | Very low | 42 | Very low | 70 Ų | 70 | 104.5 Ų | 104.5 | 58% | 0.579 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -73.9 | -33.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E82 A83 | E82-A85 PolarHBondContact O-N 3.49Å; A83-A85 VanDerWaalsContact C-N 3.3Å; A83-A85 PolarHBondContact O-N 3.27Å |
| 86 | A | 41.9 | Very low | 42.6 | Very low | 67 Ų | 67 | 107.5 Ų | 107.5 | 55% | 0.554 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.5 | -38 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A83 Y88 A89 A90 | A83-A86 PolarHBondContact O-N 3.19Å; A86-Y88 PolarHBondContact O-N 3.44Å; A86-A89 PolarHBondContact O-N 3.09Å; A86-A90 PolarHBondContact O-N 3.47Å |
| 87 | E | 44.1 | Very low | 42.6 | Very low | 140 Ų | 140 | 106.8 Ų | 106.8 | 65% | 0.654 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.9 | -37.1 | 178.6 | -68.1 | -179.1 | 162.5 | 0 | 0 | 112.4 | A83 A89 A90 H91 | A83-E87 PolarHBondContact O-N 3.27Å; E87-A89 PolarHBondContact O-N 3.36Å; E87-A90 PolarHBondContact O-N 3.33Å; E87-H91 PolarHBondContact O-N 2.54Å; E87-H91 VanDerWaalsContact O-N 3.1Å |
| 88 | Y | 39.7 | Very low | 42.7 | Very low | 166 Ų | 166 | 109.7 Ų | 109.7 | 65% | 0.651 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.1 | -37.3 | 177.1 | -163.6 | -95.7 | 0 | 0 | 0 | 112.7 | A86 H91 F92 | A86-Y88 PolarHBondContact O-N 3.44Å; Y88-H91 PolarHBondContact O-N 3.05Å; Y88-F92 HydrophobicContact CE1-CD2 4.04Å; Y88-F92 HydrophobicContact CE1-CE2 4.26Å; Y88-F92 PolarHBondContact O-N 3.11Å |
| 89 | A | 42.3 | Very low | 43 | Very low | 67 Ų | 67 | 108.5 Ų | 108.5 | 55% | 0.554 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.4 | -40.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A86 E87 F92 A93 | A86-A89 PolarHBondContact O-N 3.09Å; E87-A89 PolarHBondContact O-N 3.36Å; A89-F92 PolarHBondContact O-N 3.29Å; A89-A93 PolarHBondContact O-N 3.5Å |
| 90 | A | 43.5 | Very low | 42.9 | Very low | 63 Ų | 63 | 114.7 Ų | 114.7 | 52% | 0.521 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.1 | -42.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | A86 E87 F92 A93 Q94 | A86-A90 PolarHBondContact O-N 3.47Å; E87-A90 PolarHBondContact O-N 3.33Å; A90-F92 VanDerWaalsContact C-N 3.29Å; A90-F92 PolarHBondContact O-N 3.47Å; A90-A93 PolarHBondContact O-N 3.31Å; A90-Q94 PolarHBondContact O-N 3.35Å |
| 91 | H | 42.8 | Very low | 42.8 | Very low | 118 Ų | 118 | 116.2 Ų | 116.2 | 55% | 0.546 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.5 | -31.9 | 178.9 | -124 | -66.9 | 0 | 0 | 0 | 113.4 | E87 Y88 K95 | E87-H91 PolarHBondContact O-N 2.54Å; E87-H91 VanDerWaalsContact O-N 3.1Å; Y88-H91 PolarHBondContact O-N 3.05Å; H91-K95 PolarHBondContact O-N 3.1Å |
| 92 | F | 46.7 | Very low | 42.6 | Very low | 124 Ų | 124 | 112.2 Ų | 112.2 | 54% | 0.544 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -72.3 | -40.6 | 175.8 | -126.2 | -84.9 | 0 | 0 | 0 | 112.2 | Y88 A89 A90 K95 Q96 | Y88-F92 HydrophobicContact CE1-CD2 4.04Å; Y88-F92 HydrophobicContact CE1-CE2 4.26Å; Y88-F92 PolarHBondContact O-N 3.11Å; A89-F92 PolarHBondContact O-N 3.29Å; A90-F92 VanDerWaalsContact C-N 3.29Å; A90-F92 PolarHBondContact O-N 3.47Å; F92-K95 PolarHBondContact O-N 3.42Å; F92-Q96 PolarHBondContact O-N 3.45Å |
| 93 | A | 44.8 | Very low | 42.5 | Very low | 58 Ų | 58 | 110.8 Ų | 110.8 | 48% | 0.479 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.6 | -41.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A89 A90 Q96 Q97 | A89-A93 PolarHBondContact O-N 3.5Å; A90-A93 PolarHBondContact O-N 3.31Å; A93-Q96 PolarHBondContact O-N 3.03Å; A93-Q97 PolarHBondContact O-N 3.02Å |
| 94 | Q | 46.3 | Very low | 42.6 | Very low | 114 Ų | 114 | 111.3 Ų | 111.3 | 53% | 0.533 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.1 | -37.4 | 178.4 | -148.5 | 177.5 | 30.2 | 0 | 0 | 112.1 | A90 Q97 Q98 | A90-Q94 PolarHBondContact O-N 3.35Å; Q94-Q97 PolarHBondContact O-N 3.5Å; Q94-Q98 PolarHBondContact O-N 3.26Å; Q94-Q98 VanDerWaalsContact O-N 3.12Å |
| 95 | K | 44.2 | Very low | 42.6 | Very low | 126 Ų | 126 | 114.3 Ų | 114.3 | 55% | 0.548 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.1 | -41.7 | 173.1 | -81.6 | -171.5 | 176.6 | -174.9 | 0 | 112.7 | H91 F92 Q97 Q98 T99 | H91-K95 PolarHBondContact O-N 3.1Å; F92-K95 PolarHBondContact O-N 3.42Å; K95-Q97 VanDerWaalsContact C-N 3.27Å; K95-Q97 PolarHBondContact O-N 3.03Å; K95-Q98 PolarHBondContact O-N 3.04Å; K95-T99 PolarHBondContact O-N 3.38Å; K95-T99 PolarHBondContact O-OG1 3.39Å; K95-T99 VanDerWaalsContact O-OG1 3.11Å |
| 96 | Q | 47 | Very low | 42.8 | Very low | 137 Ų | 137 | 118.8 Ų | 118.8 | 64% | 0.64 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.6 | -32.5 | 176 | -68.6 | -149.9 | -1.8 | 0 | 0 | 112.9 | F92 A93 Q98 R100 | F92-Q96 PolarHBondContact O-N 3.45Å; A93-Q96 PolarHBondContact O-N 3.03Å; Q96-Q98 VanDerWaalsContact C-N 3.31Å; Q96-Q98 PolarHBondContact O-N 3.44Å; Q96-R100 WeakPolarHBondContact O-CB 3.48Å; Q96-R100 PolarHBondContact O-N 3.04Å |
| 97 | Q | 46 | Very low | 43 | Very low | 144 Ų | 144 | 118 Ų | 118 | 67% | 0.673 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.3 | -21.2 | 172.3 | -67.9 | -169.1 | 9.6 | 0 | 0 | 113.8 | A93 Q94 K95 | A93-Q97 PolarHBondContact O-N 3.02Å; Q94-Q97 PolarHBondContact O-N 3.5Å; K95-Q97 VanDerWaalsContact C-N 3.27Å; K95-Q97 PolarHBondContact O-N 3.03Å |
| 98 | Q | 45.2 | Very low | 42.7 | Very low | 134 Ų | 134 | 120.2 Ų | 120.2 | 63% | 0.626 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -85.7 | -42.6 | 170.4 | -70.1 | 178.2 | -10 | 0 | 0 | 111.6 | Q94 K95 Q96 R100 W101 A102 | Q94-Q98 PolarHBondContact O-N 3.26Å; Q94-Q98 VanDerWaalsContact O-N 3.12Å; K95-Q98 PolarHBondContact O-N 3.04Å; Q96-Q98 VanDerWaalsContact C-N 3.31Å; Q96-Q98 PolarHBondContact O-N 3.44Å; Q98-R100 VanDerWaalsContact C-N 3.34Å; Q98-R100 PolarHBondContact O-N 3.43Å; Q98-W101 PolarHBondContact O-N 3.29Å; Q98-A102 PolarHBondContact O-N 3.39Å |
| 99 | T | 43.3 | Very low | 42.6 | Very low | 80 Ų | 80 | 115.6 Ų | 115.6 | 49% | 0.491 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -65.3 | -33.6 | 179.1 | -54 | 0 | 0 | 0 | 0 | 112.8 | K95 W101 A102 C103 | K95-T99 PolarHBondContact O-N 3.38Å; K95-T99 PolarHBondContact O-OG1 3.39Å; K95-T99 VanDerWaalsContact O-OG1 3.11Å; T99-W101 PolarHBondContact O-N 3.1Å; T99-W101 VanDerWaalsContact O-N 3.13Å; T99-A102 PolarHBondContact O-N 3.33Å; T99-C103 PolarHBondContact O-N 3.46Å |
| 100 | R | 39.1 | Very low | 43 | Very low | 213 Ų | 213 | 120.9 Ų | 120.9 | 80% | 0.804 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -11.9 | 173.8 | -175.3 | 163.8 | 172.5 | -102.4 | -2.6 | 114 | Q96 Q98 | Q96-R100 WeakPolarHBondContact O-CB 3.48Å; Q96-R100 PolarHBondContact O-N 3.04Å; Q98-R100 VanDerWaalsContact C-N 3.34Å; Q98-R100 PolarHBondContact O-N 3.43Å |
| 101 | W | 39.9 | Very low | 42.8 | Very low | 210 Ų | 210 | 125.2 Ų | 125.2 | 80% | 0.795 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | -5.4 | 171.9 | -65 | 66.1 | 0 | 0 | 0 | 112.7 | Q98 T99 | Q98-W101 PolarHBondContact O-N 3.29Å; T99-W101 PolarHBondContact O-N 3.1Å; T99-W101 VanDerWaalsContact O-N 3.13Å |
| 102 | A | 41.2 | Very low | 42.5 | Very low | 76 Ų | 76 | 123.6 Ų | 123.6 | 63% | 0.628 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | -2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q98 T99 | Q98-A102 PolarHBondContact O-N 3.39Å; T99-A102 PolarHBondContact O-N 3.33Å |
| 103 | C | 37.4 | Very low | 42.6 | Very low | 99 Ų | 99 | 121.8 Ų | 121.8 | 67% | 0.669 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -121.7 | 80.2 | 176.6 | -59.1 | 0 | 0 | 0 | 0 | 109.1 | T99 | T99-C103 PolarHBondContact O-N 3.46Š|
| 104 | G | 39.8 | Very low | 42.7 | Very low | 70 Ų | 70 | 124.3 Ų | 124.3 | 72% | 0.722 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 156.9 | 4.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 105 | D | 41.2 | Very low | 42.6 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 66% | 0.663 | 68% | 0.679 | S | S | * | * | | | trans | -121.9 | 56.3 | 172.1 | -168.2 | 29 | 0 | 0 | 0 | 110.5 | G107 | D105-G107 PolarHBondContact O-N 3Š|
| 106 | D | 42.7 | Very low | 42.6 | Very low | 165 Ų | 165 | 130.8 Ų | 130.8 | 88% | 0.882 | 69% | 0.692 | S | S | * | * | | | trans | -75.5 | 67.6 | 171.8 | -69.9 | -50.7 | 0 | 0 | 0 | 110.2 | | |
| 107 | G | 46.8 | Very low | 42.5 | Very low | 49 Ų | 49 | 132.3 Ų | 132.3 | 51% | 0.505 | 70% | 0.696 | S | S | . | * | S | Bend | trans | 68.9 | 97.8 | 160 | 0 | 0 | 0 | 0 | 0 | 116.8 | D105 | D105-G107 PolarHBondContact O-N 3Š|
| 108 | H | 37 | Very low | 42.4 | Very low | 187 Ų | 187 | 135.8 Ų | 135.8 | 87% | 0.866 | 71% | 0.705 | S | S | * | * | | | | -150.1 | 141.1 | 116.1 | -82.9 | -53.4 | 0 | 0 | 0 | 109.4 | | |
| 109 | G | 36.8 | Very low | 42.2 | Very low | 70 Ų | 70 | 135.3 Ų | 135.3 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | | | trans | -57.7 | 153.7 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D111 | G109-D111 VanDerWaalsContact C-N 3.34Å; G109-D111 PolarHBondContact O-N 3.49Å |
| 110 | I | 50.3 | Low | 42.1 | Very low | 177 Ų | 177 | 136.1 Ų | 136.1 | 91% | 0.908 | 71% | 0.713 | S | S | * | * | | | trans | -60.1 | 93.9 | 172.6 | -57.8 | 173 | 0 | 0 | 0 | 108.9 | | |
| 111 | D | 40.1 | Very low | 42.4 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 83% | 0.829 | 72% | 0.715 | S | S | * | * | | | trans | -141.2 | 131.6 | 170.5 | -107.5 | -43.4 | 0 | 0 | 0 | 111.8 | G109 | G109-D111 VanDerWaalsContact C-N 3.34Å; G109-D111 PolarHBondContact O-N 3.49Å |
| 112 | N | 37.4 | Very low | 42.4 | Very low | 84 Ų | 84 | 129.9 Ų | 129.9 | 45% | 0.449 | 72% | 0.716 | S | S | . | * | | | trans | 74.9 | 90.1 | 168.1 | -153.7 | 93.9 | 0 | 0 | 0 | 118.8 | D114 | N112-D114 WeakPolarHBondContact ND2-CB 3.5Å; N112-D114 PolarHBondContact ND2-N 3.44Å; N112-D114 PolarHBondContact O-N 3.41Å; N112-D114 VanDerWaalsContact O-N 3.14Å |
| 113 | P | 47.1 | Very low | 42.3 | Very low | 85 Ų | 85 | 132.3 Ų | 132.3 | 55% | 0.552 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -65.3 | -14.7 | 177.9 | 27.7 | -35.2 | 0 | 0 | 0 | 115.3 | K115 | P113-K115 PolarHBondContact O-N 3.33Š|
| 114 | D | 46.9 | Very low | 42.6 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 59% | 0.594 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -71.8 | -7 | -178.9 | -59.6 | -65.3 | 0 | 0 | 0 | 114.9 | N112 W116 K117 | N112-D114 WeakPolarHBondContact ND2-CB 3.5Å; N112-D114 PolarHBondContact ND2-N 3.44Å; N112-D114 PolarHBondContact O-N 3.41Å; N112-D114 VanDerWaalsContact O-N 3.14Å; D114-W116 PolarHBondContact O-N 3.32Å; D114-K117 PolarHBondContact O-N 3.07Å |
| 115 | K | 45.3 | Very low | 42.7 | Very low | 162 Ų | 162 | 133.6 Ų | 133.6 | 70% | 0.704 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -66.1 | -23.5 | 178 | -64.8 | -72.2 | -174.7 | 173.7 | 0 | 112.8 | P113 K117 | P113-K115 PolarHBondContact O-N 3.33Å; K115-K117 PolarHBondContact O-N 3.14Å |
| 116 | W | 43.8 | Very low | 42.9 | Very low | 215 Ų | 215 | 135 Ų | 135 | 81% | 0.814 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -73.6 | -11 | -176.2 | -50.5 | -22.7 | 0 | 0 | 0 | 114 | D114 Y118 | D114-W116 PolarHBondContact O-N 3.32Å; W116-Y118 PolarHBondContact O-N 3.35Å |
| 117 | K | 46 | Very low | 42.8 | Very low | 168 Ų | 168 | 131.7 Ų | 131.7 | 73% | 0.73 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -80.7 | 0.7 | -176.2 | -145.9 | 163.8 | 68.8 | -170.3 | 0 | 114.4 | D114 K115 | D114-K117 PolarHBondContact O-N 3.07Å; K115-K117 PolarHBondContact O-N 3.14Å |
| 118 | Y | 42.6 | Very low | 42.3 | Very low | 217 Ų | 217 | 133.3 Ų | 133.3 | 85% | 0.851 | 73% | 0.731 | S | S | * | * | | | trans | -132.5 | 70 | 172.2 | -76.2 | -79.3 | 0 | 0 | 0 | 111.8 | W116 | W116-Y118 PolarHBondContact O-N 3.35Š|
| 119 | N | 42.3 | Very low | 42.3 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 67% | 0.668 | 73% | 0.729 | S | S | * | * | | | trans | -108.3 | 117.5 | 154.2 | -165.9 | 50 | 0 | 0 | 0 | 107.8 | | |
| 120 | P | 41.2 | Very low | 42.2 | Very low | 96 Ų | 96 | 131 Ų | 131 | 62% | 0.623 | 74% | 0.735 | S | S | * | * | | | trans | -62.3 | 154 | 171.5 | 28.9 | -33.8 | 0 | 0 | 0 | 109.3 | M122 | P120-M122 PolarHBondContact O-N 3.29Š|
| 121 | P | 44 | Very low | 41.7 | Very low | 130 Ų | 130 | 125.8 Ų | 125.8 | 84% | 0.844 | 72% | 0.724 | S | S | * | * | | | trans | -62.4 | 109 | -178.4 | 25.2 | -33.4 | 0 | 0 | 0 | 110.1 | N123 | P121-N123 PolarHBondContact O-N 3.3Š|
| 122 | M | 39.6 | Very low | 41.8 | Very low | 163 Ų | 163 | 124.2 Ų | 124.2 | 80% | 0.803 | 72% | 0.722 | S | S | * | * | | | trans | -61.2 | 108.9 | 169 | -81.9 | -122.1 | -69.8 | 0 | 0 | 108.5 | P120 P124 | P120-M122 PolarHBondContact O-N 3.29Å; M122-P124 WeakPolarHBondContact O-CD 3.49Å |
| 123 | N | 41 | Very low | 41.9 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 67% | 0.674 | 74% | 0.744 | S | S | * | * | | | trans | -61 | 124.1 | 174.4 | -175.2 | 2.8 | 0 | 0 | 0 | 109 | P121 A125 | P121-N123 PolarHBondContact O-N 3.3Å; N123-A125 PolarHBondContact O-N 3.21Å |
| 124 | P | 42.4 | Very low | 41.3 | Very low | 118 Ų | 118 | 126.4 Ų | 126.4 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -60.2 | -8.6 | -176.7 | -26.6 | 35.7 | 0 | 0 | 0 | 115.8 | M122 N126 | M122-P124 WeakPolarHBondContact O-CD 3.49Å; P124-N126 VanDerWaalsContact C-N 3.28Å; P124-N126 PolarHBondContact O-N 3.34Å |
| 125 | A | 43.1 | Very low | 41 | Very low | 79 Ų | 79 | 129.2 Ų | 129.2 | 65% | 0.653 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -68.2 | -10.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | N123 | N123-A125 PolarHBondContact O-N 3.21Š|
| 126 | N | 44.1 | Very low | 40.6 | Very low | 153 Ų | 153 | 124.5 Ų | 124.5 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -124.8 | 22.3 | -170.4 | -148.6 | 89.2 | 0 | 0 | 0 | 115.5 | P124 | P124-N126 VanDerWaalsContact C-N 3.28Å; P124-N126 PolarHBondContact O-N 3.34Å |
| 127 | A | 40.7 | Very low | 40.4 | Very low | 96 Ų | 96 | 120.2 Ų | 120.2 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | | | trans | -104.2 | 29.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 128 | A | 36.2 | Very low | 40.4 | Very low | 83 Ų | 83 | 120.6 Ų | 120.6 | 69% | 0.686 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 136.5 | 174 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 129 | P | 36.5 | Very low | 39.9 | Very low | 127 Ų | 127 | 114 Ų | 114 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 139 | 172 | -24.7 | 34.6 | 0 | 0 | 0 | 111.7 | G131 | P129-G131 PolarHBondContact O-N 3.39Š|
| 130 | G | 35.9 | Very low | 39.5 | Very low | 82 Ų | 82 | 111.3 Ų | 111.3 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -58 | 129.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 131 | G | 39.5 | Very low | 39.8 | Very low | 66 Ų | 66 | 113.7 Ų | 113.7 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 165.2 | 169 | 0 | 0 | 0 | 0 | 0 | 112.7 | P129 | P129-G131 PolarHBondContact O-N 3.39Š|
| 132 | P | 41.4 | Very low | 39.4 | Very low | 122 Ų | 122 | 110.5 Ų | 110.5 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 155.4 | -178.3 | 28 | -35.2 | 0 | 0 | 0 | 112.4 | G134 | P132-G134 PolarHBondContact O-N 3.08Š|
| 133 | P | 40.6 | Very low | 39.8 | Very low | 141 Ų | 141 | 108.1 Ų | 108.1 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | | | trans | -66.3 | 104.3 | -170.5 | 25.9 | -34.4 | 0 | 0 | 0 | 112.3 | | |
| 134 | G | 35.1 | Very low | 39.8 | Very low | 75 Ų | 75 | 109.1 Ų | 109.1 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | -94.2 | 136.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P132 | P132-G134 PolarHBondContact O-N 3.08Š|
| 135 | N | 39.9 | Very low | 39.5 | Very low | 170 Ų | 170 | 106.4 Ų | 106.4 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | | | trans | -86.3 | 115.5 | -167.8 | -176.9 | 75.3 | 0 | 0 | 0 | 114 | | |
| 136 | G | 36.5 | Very low | 39.9 | Very low | 63 Ų | 63 | 109.9 Ų | 109.9 | 65% | 0.649 | 80% | 0.803 | S | S | * | * | | | trans | 82.8 | 144 | 148.2 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 137 | S | 40.2 | Very low | 39.9 | Very low | 125 Ų | 125 | 109.3 Ų | 109.3 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | 78.2 | 104.8 | 159.8 | -58.8 | 0 | 0 | 0 | 0 | 120 | | |
| 138 | N | 44.9 | Very low | 39.8 | Very low | 175 Ų | 175 | 107.8 Ų | 107.8 | 94% | 0.936 | 79% | 0.792 | S | S | * | * | | | trans | 9.1 | 115.8 | 148.8 | -66.2 | -13.5 | 0 | 0 | 0 | 119.1 | | |
| 139 | G | 33.7 | Very low | 40.1 | Very low | 79 Ų | 79 | 113.8 Ų | 113.8 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | | | trans | 172.4 | 124 | 160.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 140 | G | 32.9 | Very low | 40.3 | Very low | 69 Ų | 69 | 111 Ų | 111 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | | | trans | -73.5 | 173.7 | 170 | 0 | 0 | 0 | 0 | 0 | 112.8 | G142 | G140-G142 PolarHBondContact O-N 3.08Å; G140-G142 VanDerWaalsContact O-N 3.13Å |
| 141 | P | 47 | Very low | 40.6 | Very low | 146 Ų | 146 | 113.7 Ų | 113.7 | 95% | 0.948 | 81% | 0.809 | S | S | * | * | | | trans | -74.2 | 106.3 | -168.5 | 29.6 | -34.9 | 0 | 0 | 0 | 112.7 | | |
| 142 | G | 36.1 | Very low | 40.6 | Very low | 63 Ų | 63 | 113.6 Ų | 113.6 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | | | trans | -96.2 | 126.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | G140 I144 | G140-G142 PolarHBondContact O-N 3.08Å; G140-G142 VanDerWaalsContact O-N 3.13Å; G142-I144 PolarHBondContact O-N 3.4Å |
| 143 | A | 48.4 | Very low | 40.6 | Very low | 112 Ų | 112 | 116.8 Ų | 116.8 | 93% | 0.926 | 82% | 0.817 | S | S | * | * | | | trans | -67.8 | 115 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 144 | I | 40.8 | Very low | 40.4 | Very low | 147 Ų | 147 | 113.5 Ų | 113.5 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | | | trans | -116.1 | 126.4 | 169.2 | -60.6 | -177.4 | 0 | 0 | 0 | 107 | G142 I147 | G142-I144 PolarHBondContact O-N 3.4Å; I144-I147 HydrophobicContact CG2-CD1 4.08Å |
| 145 | G | 37 | Very low | 40.5 | Very low | 61 Ų | 61 | 113.8 Ų | 113.8 | 63% | 0.629 | 81% | 0.812 | S | S | * | * | | | trans | -73.2 | -173.3 | -160.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | I147 | G145-I147 VanDerWaalsContact C-N 3.32Å; G145-I147 PolarHBondContact O-N 3.35Å |
| 146 | T | 51.4 | Low | 40.3 | Very low | 153 Ų | 153 | 109.9 Ų | 109.9 | 94% | 0.939 | 81% | 0.812 | S | S | * | * | | | trans | -60.4 | 86.6 | 173.4 | 47.6 | 0 | 0 | 0 | 0 | 111.6 | G148 | T146-G148 PolarHBondContact O-N 3.11Š|
| 147 | I | 42.3 | Very low | 40.2 | Very low | 141 Ų | 141 | 111 Ų | 111 | 72% | 0.723 | 82% | 0.823 | S | S | * | * | | | trans | -78.8 | 106.8 | 169.2 | -63.5 | 173.2 | 0 | 0 | 0 | 107.3 | I144 G145 | I144-I147 HydrophobicContact CG2-CD1 4.08Å; G145-I147 VanDerWaalsContact C-N 3.32Å; G145-I147 PolarHBondContact O-N 3.35Å |
| 148 | G | 39.1 | Very low | 39.9 | Very low | 64 Ų | 64 | 108.3 Ų | 108.3 | 66% | 0.66 | 82% | 0.815 | S | S | * | * | | | trans | -62.8 | 136.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T146 G150 | T146-G148 PolarHBondContact O-N 3.11Å; G148-G150 PolarHBondContact O-N 3.33Å |
| 149 | M | 43.3 | Very low | 39.5 | Very low | 208 Ų | 208 | 106 Ų | 106 | 100% | 1.025 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -69.4 | 101.7 | 167.1 | -70.9 | -176.9 | 177.4 | 0 | 0 | 108.8 | | |
| 150 | G | 40 | Very low | 39.6 | Very low | 69 Ų | 69 | 106 Ų | 106 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | | | trans | -166.7 | 44.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G148 G152 | G148-G150 PolarHBondContact O-N 3.33Å; G150-G152 PolarHBondContact O-N 3.49Å; G150-G152 VanDerWaalsContact O-N 3.13Å |
| 151 | S | 42.3 | Very low | 39.9 | Very low | 139 Ų | 139 | 108.1 Ų | 108.1 | 97% | 0.972 | 82% | 0.823 | S | S | * | * | | | trans | -69.4 | 106.7 | 171.4 | -168.5 | 0 | 0 | 0 | 0 | 109 | | |
| 152 | G | 39 | Very low | 39.3 | Very low | 64 Ų | 64 | 104.9 Ų | 104.9 | 66% | 0.66 | 82% | 0.817 | S | S | * | * | | | trans | -169.9 | 49.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113 | G150 G154 | G150-G152 PolarHBondContact O-N 3.49Å; G150-G152 VanDerWaalsContact O-N 3.13Å; G152-G154 PolarHBondContact O-N 2.95Å; G152-G154 VanDerWaalsContact O-N 3.08Å |
| 153 | L | 42.2 | Very low | 39.6 | Very low | 188 Ų | 188 | 106.1 Ų | 106.1 | 98% | 0.984 | 83% | 0.829 | S | S | * | * | | | trans | -67.9 | 102.5 | 165.7 | -96.8 | 75.5 | 0 | 0 | 0 | 109 | | |
| 154 | G | 36.7 | Very low | 38.9 | Very low | 72 Ų | 72 | 104.2 Ų | 104.2 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | | | trans | -164.6 | 115.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G152 | G152-G154 PolarHBondContact O-N 2.95Å; G152-G154 VanDerWaalsContact O-N 3.08Å |
| 155 | G | 36.8 | Very low | 39.1 | Very low | 82 Ų | 82 | 104.9 Ų | 104.9 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | | | trans | 76.3 | 104.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 156 | G | 35.5 | Very low | 39.3 | Very low | 87 Ų | 87 | 110 Ų | 110 | 90% | 0.897 | 84% | 0.839 | S | S | * | * | | | trans | -80.5 | 150.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 157 | G | 34.7 | Very low | 38.5 | Very low | 86 Ų | 86 | 106.4 Ų | 106.4 | 89% | 0.887 | 83% | 0.833 | S | S | * | * | | | trans | 104.6 | 136.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 158 | G | 34 | Very low | 38.2 | Very low | 69 Ų | 69 | 103.4 Ų | 103.4 | 71% | 0.711 | 84% | 0.836 | S | S | * | * | | | trans | 121.3 | 86.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 159 | S | 36.6 | Very low | 38.1 | Very low | 128 Ų | 128 | 106.9 Ų | 106.9 | 90% | 0.895 | 85% | 0.851 | S | S | * | * | | | trans | 12.5 | 133.9 | 130.1 | 54.8 | 0 | 0 | 0 | 0 | 119.4 | | |
| 160 | G | 35.8 | Very low | 37.9 | Very low | 77 Ų | 77 | 100.4 Ų | 100.4 | 79% | 0.794 | 84% | 0.837 | S | S | * | * | | | trans | 160.8 | 111.8 | 151.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 161 | A | 38.6 | Very low | 38.4 | Very low | 114 Ų | 114 | 103.6 Ų | 103.6 | 94% | 0.942 | 84% | 0.843 | S | S | * | * | | | trans | -60 | 154 | 162.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 162 | G | 35.4 | Very low | 38.6 | Very low | 78 Ų | 78 | 105 Ų | 105 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | | | trans | 157.4 | 110.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 163 | G | 41.5 | Very low | 38.6 | Very low | 89 Ų | 89 | 105.6 Ų | 105.6 | 92% | 0.918 | 85% | 0.846 | S | S | * | * | | | trans | -74.9 | 148 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 164 | G | 33.9 | Very low | 38.4 | Very low | 73 Ų | 73 | 99.2 Ų | 99.2 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | | | trans | -159.4 | 103.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 165 | N | 44.2 | Very low | 38.9 | Very low | 160 Ų | 160 | 104.2 Ų | 104.2 | 86% | 0.856 | 83% | 0.834 | S | S | * | * | | | trans | -77.6 | 158.6 | 160.7 | -78.4 | 4.1 | 0 | 0 | 0 | 109.5 | | |
| 166 | N | 42.7 | Very low | 39.4 | Very low | 169 Ų | 169 | 107.8 Ų | 107.8 | 90% | 0.904 | 83% | 0.828 | S | S | * | * | | | trans | 75.6 | 135.2 | -175.7 | -52.3 | -14.9 | 0 | 0 | 0 | 114.4 | | |
| 167 | G | 34.5 | Very low | 39.7 | Very low | 78 Ų | 78 | 111.4 Ų | 111.4 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | | | cis | 156.6 | 153.6 | -9.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 168 | G | 36.2 | Very low | 40.2 | Very low | 77 Ų | 77 | 115.8 Ų | 115.8 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | | | trans | 108.3 | 150.5 | 156.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 169 | S | 37.1 | Very low | 40.6 | Very low | 138 Ų | 138 | 116.4 Ų | 116.4 | 97% | 0.965 | 81% | 0.812 | S | S | * | * | | | trans | 74.5 | 113.6 | 170.8 | -141.5 | 0 | 0 | 0 | 0 | 117.2 | | |
| 170 | G | 37.8 | Very low | 40.8 | Very low | 71 Ų | 71 | 117.3 Ų | 117.3 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | | | cis | -159.4 | 136.6 | -1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N172 | G170-N172 PolarHBondContact O-N 3.04Š|
| 171 | T | 50.9 | Low | 41.2 | Very low | 137 Ų | 137 | 117 Ų | 117 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | | | trans | -74.1 | 109.9 | 168.3 | -52.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 172 | N | 47 | Very low | 41.3 | Very low | 168 Ų | 168 | 114.5 Ų | 114.5 | 90% | 0.898 | 77% | 0.774 | S | S | * | * | | | trans | -177.4 | 80.4 | 149.8 | -92.3 | -22.7 | 0 | 0 | 0 | 110.5 | G170 | G170-N172 PolarHBondContact O-N 3.04Š|
| 173 | G | 38.8 | Very low | 41.7 | Very low | 77 Ų | 77 | 113.1 Ų | 113.1 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | | | trans | -136.9 | 115.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 174 | G | 37.8 | Very low | 41.7 | Very low | 53 Ų | 53 | 111.8 Ų | 111.8 | 55% | 0.546 | 73% | 0.734 | S | S | . | * | | | trans | -74.8 | 144 | -157.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | H176 | G174-H176 PolarHBondContact O-CD2 3.17Å; G174-H176 PolarHBondContact O-N 3.45Å |
| 175 | L | 46.7 | Very low | 42.2 | Very low | 178 Ų | 178 | 111.4 Ų | 111.4 | 93% | 0.932 | 73% | 0.725 | S | S | * | * | S | Bend | | 52.2 | 3.7 | 126.5 | -61.2 | 171.9 | 0 | 0 | 0 | 121.4 | | |
| 176 | H | 46.7 | Very low | 42.2 | Very low | 156 Ų | 156 | 108.9 Ų | 108.9 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | | | trans | -108.8 | 10.7 | -170.4 | -76.9 | -87.4 | 0 | 0 | 0 | 116.1 | G174 | G174-H176 PolarHBondContact O-CD2 3.17Å; G174-H176 PolarHBondContact O-N 3.45Å |
| 177 | H | 43.7 | Very low | 42.1 | Very low | 163 Ų | 163 | 106.6 Ų | 106.6 | 76% | 0.755 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -119.5 | 0.1 | -176.4 | -80.9 | -86.7 | 0 | 0 | 0 | 116.9 | | |
| 178 | Q | 44.3 | Very low | 42.4 | Very low | 179 Ų | 179 | 105.4 Ų | 105.4 | 84% | 0.836 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -82.8 | -24.7 | 173.7 | -78.3 | -174.1 | -12.9 | 0 | 0 | 113.9 | | |
| 179 | S | 41.9 | Very low | 42.8 | Very low | 82 Ų | 82 | 104.2 Ų | 104.2 | 57% | 0.573 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -74.4 | -36.1 | -176 | 54.1 | 0 | 0 | 0 | 0 | 114.3 | A183 | S179-A183 PolarHBondContact O-N 2.87Å |
| 180 | M | 41.8 | Very low | 42.9 | Very low | 146 Ų | 146 | 104 Ų | 104 | 72% | 0.719 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -71.6 | -35.3 | 179.5 | -77.6 | -169.6 | 179 | 0 | 0 | 113.4 | A183 A184 | M180-A183 PolarHBondContact O-N 3.47Å; M180-A184 PolarHBondContact O-N 3.26Å |
| 181 | A | 42.8 | Very low | 43.5 | Very low | 70 Ų | 70 | 107.7 Ų | 107.7 | 58% | 0.579 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -64.2 | -41.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A185 | A181-A185 PolarHBondContact O-N 3.48Å |
| 182 | A | 42.5 | Very low | 43.4 | Very low | 63 Ų | 63 | 107.9 Ų | 107.9 | 52% | 0.521 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -67.2 | -38.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A185 N186 | A182-A185 PolarHBondContact O-N 3.26Å; A182-N186 WeakPolarHBondContact O-CB 3.33Å; A182-N186 PolarHBondContact O-N 3.43Å; A182-N186 VanDerWaalsContact O-N 3.1Å |
| 183 | A | 43.4 | Very low | 43.2 | Very low | 48 Ų | 48 | 102.8 Ų | 102.8 | 40% | 0.397 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.6 | -38.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S179 M180 N186 M187 | S179-A183 PolarHBondContact O-N 2.87Å; M180-A183 PolarHBondContact O-N 3.47Å; A183-N186 PolarHBondContact O-N 3.1Å; A183-M187 WeakPolarHBondContact O-CE 3.5Å; A183-M187 PolarHBondContact O-N 3.41Å |
| 184 | A | 41.3 | Very low | 43.4 | Very low | 61 Ų | 61 | 102 Ų | 102 | 50% | 0.504 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.4 | -42.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M180 N186 M187 A188 | M180-A184 PolarHBondContact O-N 3.26Å; A184-N186 VanDerWaalsContact C-N 3.34Å; A184-N186 PolarHBondContact O-N 3.03Å; A184-M187 PolarHBondContact O-N 3.35Å; A184-A188 PolarHBondContact O-N 3.18Å |
| 185 | A | 44.4 | Very low | 43.5 | Very low | 66 Ų | 66 | 102.6 Ų | 102.6 | 55% | 0.545 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.3 | -39.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A181 A182 M187 A188 A189 | A181-A185 PolarHBondContact O-N 3.48Å; A182-A185 PolarHBondContact O-N 3.26Å; A185-M187 PolarHBondContact O-N 3.34Å; A185-A188 PolarHBondContact O-N 3.26Å; A185-A189 PolarHBondContact O-N 3.34Å |
| 186 | N | 44.8 | Very low | 43.5 | Very low | 106 Ų | 106 | 99.4 Ų | 99.4 | 57% | 0.567 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.5 | -33.2 | -179 | -155.4 | 14.6 | 0 | 0 | 0 | 112.8 | A182 A183 A184 M190 | A182-N186 WeakPolarHBondContact O-CB 3.33Å; A182-N186 PolarHBondContact O-N 3.43Å; A182-N186 VanDerWaalsContact O-N 3.1Å; A183-N186 PolarHBondContact O-N 3.1Å; A184-N186 VanDerWaalsContact C-N 3.34Å; A184-N186 PolarHBondContact O-N 3.03Å; N186-M190 PolarHBondContact O-N 3.21Å |
| 187 | M | 40.4 | Very low | 43.4 | Very low | 121 Ų | 121 | 94.8 Ų | 94.8 | 60% | 0.596 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -70.4 | -35.9 | 173.7 | -81.8 | -177.1 | -82.1 | 0 | 0 | 113.2 | A183 A184 A185 M190 Q191 | A183-M187 WeakPolarHBondContact O-CE 3.5Å; A183-M187 PolarHBondContact O-N 3.41Å; A184-M187 PolarHBondContact O-N 3.35Å; A185-M187 PolarHBondContact O-N 3.34Å; M187-M190 PolarHBondContact O-N 2.99Å; M187-Q191 PolarHBondContact O-N 3.25Å |
| 188 | A | 40.5 | Very low | 43.2 | Very low | 53 Ų | 53 | 94.5 Ų | 94.5 | 44% | 0.438 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.4 | -40.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A184 A185 Q191 Q192 | A184-A188 PolarHBondContact O-N 3.18Å; A185-A188 PolarHBondContact O-N 3.26Å; A188-Q191 PolarHBondContact O-N 3.23Å; A188-Q192 PolarHBondContact O-N 3.29Å |
| 189 | A | 43.7 | Very low | 43 | Very low | 52 Ų | 52 | 91.3 Ų | 91.3 | 43% | 0.43 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63 | -40.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A185 Q191 Q192 A193 | A185-A189 PolarHBondContact O-N 3.34Å; A189-Q191 PolarHBondContact O-N 3.33Å; A189-Q192 PolarHBondContact O-N 3.45Å; A189-A193 PolarHBondContact O-N 3.34Å; A189-A193 VanDerWaalsContact O-N 3.08Å |
| 190 | M | 40.6 | Very low | 43.1 | Very low | 133 Ų | 133 | 92.1 Ų | 92.1 | 66% | 0.655 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.2 | -35.9 | 176.2 | -80.3 | -169.3 | 175.7 | 0 | 0 | 113.4 | N186 M187 A193 A194 | N186-M190 PolarHBondContact O-N 3.21Å; M187-M190 PolarHBondContact O-N 2.99Å; M190-A193 PolarHBondContact O-N 3.22Å; M190-A194 WeakPolarHBondContact O-CB 3.42Å; M190-A194 PolarHBondContact O-N 3.38Å |
| 191 | Q | 49.8 | Very low | 43.2 | Very low | 150 Ų | 150 | 91.5 Ų | 91.5 | 70% | 0.701 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -68 | -35.9 | 176.9 | -73.6 | -177.9 | -8.6 | 0 | 0 | 112.4 | M187 A188 A189 A194 A195 | M187-Q191 PolarHBondContact O-N 3.25Å; A188-Q191 PolarHBondContact O-N 3.23Å; A189-Q191 PolarHBondContact O-N 3.33Å; Q191-A194 PolarHBondContact O-N 3.4Å; Q191-A195 PolarHBondContact O-N 3.24Å |
| 192 | Q | 48.5 | Very low | 43.1 | Very low | 140 Ų | 140 | 94.2 Ų | 94.2 | 65% | 0.654 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.6 | -40.2 | 173.6 | -70 | 179.3 | -23.7 | 0 | 0 | 112 | A188 A189 A195 L196 | A188-Q192 PolarHBondContact O-N 3.29Å; A189-Q192 PolarHBondContact O-N 3.45Å; Q192-A195 PolarHBondContact O-N 3.48Å; Q192-L196 PolarHBondContact O-N 3.1Å; Q192-L196 VanDerWaalsContact O-N 3.08Å |
| 193 | A | 42.9 | Very low | 43.2 | Very low | 61 Ų | 61 | 95.5 Ų | 95.5 | 50% | 0.504 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A189 M190 L196 A197 | A189-A193 PolarHBondContact O-N 3.34Å; A189-A193 VanDerWaalsContact O-N 3.08Å; M190-A193 PolarHBondContact O-N 3.22Å; A193-L196 PolarHBondContact O-N 3.47Å; A193-A197 WeakPolarHBondContact O-CB 3.46Å; A193-A197 PolarHBondContact O-N 3.49Å |
| 194 | A | 42 | Very low | 43.3 | Very low | 61 Ų | 61 | 96.6 Ų | 96.6 | 50% | 0.504 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.6 | -36.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | M190 Q191 A197 K198 | M190-A194 WeakPolarHBondContact O-CB 3.42Å; M190-A194 PolarHBondContact O-N 3.38Å; Q191-A194 PolarHBondContact O-N 3.4Å; A194-A197 PolarHBondContact O-N 3.05Å; A194-K198 PolarHBondContact O-N 3.01Å; A194-K198 VanDerWaalsContact O-N 3.11Å |
| 195 | A | 40.9 | Very low | 43.6 | Very low | 65 Ų | 65 | 100 Ų | 100 | 54% | 0.537 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.7 | -42.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q191 Q192 K198 H199 | Q191-A195 PolarHBondContact O-N 3.24Å; Q192-A195 PolarHBondContact O-N 3.48Å; A195-K198 PolarHBondContact O-N 3.11Å; A195-H199 PolarHBondContact O-N 2.83Å; A195-H199 VanDerWaalsContact O-N 3.1Å |
| 196 | L | 45.6 | Very low | 43.7 | Very low | 111 Ų | 111 | 99.9 Ų | 99.9 | 58% | 0.581 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67 | -37.1 | 175.8 | -74.9 | 163.8 | 0 | 0 | 0 | 112.5 | Q192 A193 K198 H199 N200 | Q192-L196 PolarHBondContact O-N 3.1Å; Q192-L196 VanDerWaalsContact O-N 3.08Å; A193-L196 PolarHBondContact O-N 3.47Å; L196-K198 PolarHBondContact O-N 3.46Å; L196-H199 PolarHBondContact O-N 3.45Å; L196-N200 PolarHBondContact O-N 3.25Å |
| 197 | A | 45.2 | Very low | 43.8 | Very low | 59 Ų | 59 | 98 Ų | 98 | 49% | 0.488 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61 | -42.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A193 A194 H199 N200 H201 | A193-A197 WeakPolarHBondContact O-CB 3.46Å; A193-A197 PolarHBondContact O-N 3.49Å; A194-A197 PolarHBondContact O-N 3.05Å; A197-H199 VanDerWaalsContact C-N 3.31Å; A197-H199 PolarHBondContact O-N 3.12Å; A197-N200 PolarHBondContact O-N 3.36Å; A197-H201 PolarHBondContact O-N 3.23Å |
| 198 | K | 40.7 | Very low | 44.1 | Very low | 157 Ų | 157 | 95.2 Ų | 95.2 | 68% | 0.683 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.6 | -31.3 | 176.8 | -162.1 | 176.3 | -176.5 | -178.2 | 0 | 112.7 | A194 A195 L196 | A194-K198 PolarHBondContact O-N 3.01Å; A194-K198 VanDerWaalsContact O-N 3.11Å; A195-K198 PolarHBondContact O-N 3.11Å; L196-K198 PolarHBondContact O-N 3.46Å |
| 199 | H | 38.6 | Very low | 44.4 | Very low | 112 Ų | 112 | 95.5 Ų | 95.5 | 52% | 0.519 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.3 | -48 | 174.7 | -168.7 | -118.4 | 0 | 0 | 0 | 112 | A195 L196 A197 H201 M202 I203 | A195-H199 PolarHBondContact O-N 2.83Å; A195-H199 VanDerWaalsContact O-N 3.1Å; L196-H199 PolarHBondContact O-N 3.45Å; A197-H199 VanDerWaalsContact C-N 3.31Å; A197-H199 PolarHBondContact O-N 3.12Å; H199-H201 VanDerWaalsContact C-N 3.32Å; H199-H201 PolarHBondContact O-N 3.24Å; H199-M202 PolarHBondContact O-N 3.06Å; H199-I203 PolarHBondContact O-N 3.33Å |
| 200 | N | 43.9 | Very low | 44.8 | Very low | 100 Ų | 100 | 97.4 Ų | 97.4 | 54% | 0.535 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.8 | -37.5 | 176.1 | -85.4 | -37.2 | 0 | 0 | 0 | 112.8 | L196 A197 M202 I203 S204 | L196-N200 PolarHBondContact O-N 3.25Å; A197-N200 PolarHBondContact O-N 3.36Å; N200-M202 VanDerWaalsContact C-N 3.27Å; N200-M202 PolarHBondContact O-N 3.39Å; N200-I203 PolarHBondContact O-N 3.28Å; N200-S204 PolarHBondContact O-N 2.84Å; N200-S204 VanDerWaalsContact O-N 3.09Å; N200-S204 PolarHBondContact O-OG 3.14Å |
| 201 | H | 44 | Very low | 45.1 | Very low | 133 Ų | 133 | 94.4 Ų | 94.4 | 62% | 0.616 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.4 | -29.4 | -178.9 | -144 | -32.3 | 0 | 0 | 0 | 113.3 | A197 H199 Q205 | A197-H201 PolarHBondContact O-N 3.23Å; H199-H201 VanDerWaalsContact C-N 3.32Å; H199-H201 PolarHBondContact O-N 3.24Å; H201-Q205 PolarHBondContact O-N 3.17Å |
| 202 | M | 40.9 | Very low | 44.9 | Very low | 126 Ų | 126 | 90.5 Ų | 90.5 | 62% | 0.621 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -75.7 | -41.7 | 177 | -135.8 | -176.4 | -54.3 | 0 | 0 | 111.8 | H199 N200 S204 Q205 A206 | H199-M202 PolarHBondContact O-N 3.06Å; N200-M202 VanDerWaalsContact C-N 3.27Å; N200-M202 PolarHBondContact O-N 3.39Å; M202-S204 VanDerWaalsContact C-N 3.34Å; M202-S204 PolarHBondContact O-N 3.36Å; M202-Q205 PolarHBondContact O-N 3.38Å; M202-A206 PolarHBondContact O-N 3.17Å |
| 203 | I | 45.9 | Very low | 44.8 | Very low | 90 Ų | 90 | 91.3 Ų | 91.3 | 46% | 0.462 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63 | -40.1 | 176.7 | -70.5 | 171.1 | 0 | 0 | 0 | 111.1 | H199 N200 Q205 A206 A207 | H199-I203 PolarHBondContact O-N 3.33Å; N200-I203 PolarHBondContact O-N 3.28Å; I203-Q205 PolarHBondContact O-N 3.48Å; I203-A206 PolarHBondContact O-N 3.41Å; I203-A207 PolarHBondContact O-N 3.18Å; I203-A207 VanDerWaalsContact O-N 3.13Å |
| 204 | S | 44.4 | Very low | 45.1 | Very low | 72 Ų | 72 | 96.3 Ų | 96.3 | 50% | 0.503 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.7 | -30.5 | 178.6 | -62.3 | 0 | 0 | 0 | 0 | 113.9 | N200 M202 A208 | N200-S204 PolarHBondContact O-N 2.84Å; N200-S204 VanDerWaalsContact O-N 3.09Å; N200-S204 PolarHBondContact O-OG 3.14Å; M202-S204 VanDerWaalsContact C-N 3.34Å; M202-S204 PolarHBondContact O-N 3.36Å; S204-A208 PolarHBondContact O-N 3.06Å; S204-A208 VanDerWaalsContact O-N 3.15Å |
| 205 | Q | 47.7 | Very low | 45.3 | Very low | 133 Ų | 133 | 101.9 Ų | 101.9 | 62% | 0.621 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -71.2 | -35.7 | 173.4 | -74 | -173.7 | 5.6 | 0 | 0 | 112.1 | H201 M202 I203 A208 A209 | H201-Q205 PolarHBondContact O-N 3.17Å; M202-Q205 PolarHBondContact O-N 3.38Å; I203-Q205 PolarHBondContact O-N 3.48Å; Q205-A208 PolarHBondContact O-N 3.24Å; Q205-A209 PolarHBondContact O-N 3.33Å; Q205-A209 VanDerWaalsContact O-N 3.13Å |
| 206 | A | 47.6 | Very low | 45.4 | Very low | 62 Ų | 62 | 106.8 Ų | 106.8 | 51% | 0.512 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.4 | -39.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M202 I203 V210 | M202-A206 PolarHBondContact O-N 3.17Å; I203-A206 PolarHBondContact O-N 3.41Å; A206-V210 PolarHBondContact O-N 3.25Å |
| 207 | A | 45.4 | Very low | 45.1 | Very low | 67 Ų | 67 | 109.9 Ų | 109.9 | 55% | 0.554 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.9 | -40.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | I203 V210 A211 | I203-A207 PolarHBondContact O-N 3.18Å; I203-A207 VanDerWaalsContact O-N 3.13Å; A207-V210 PolarHBondContact O-N 2.99Å; A207-A211 PolarHBondContact O-N 3.18Å |
| 208 | A | 47.1 | Very low | 44.7 | Very low | 63 Ų | 63 | 115.5 Ų | 115.5 | 52% | 0.521 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.5 | -35 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S204 Q205 V210 A211 A212 | S204-A208 PolarHBondContact O-N 3.06Å; S204-A208 VanDerWaalsContact O-N 3.15Å; Q205-A208 PolarHBondContact O-N 3.24Å; A208-V210 PolarHBondContact O-N 2.98Å; A208-A211 PolarHBondContact O-N 3.49Å; A208-A212 PolarHBondContact O-N 3.27Å |
| 209 | A | 46.9 | Very low | 44.8 | Very low | 59 Ų | 59 | 113.9 Ų | 113.9 | 49% | 0.488 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65.2 | -36.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q205 | Q205-A209 PolarHBondContact O-N 3.33Å; Q205-A209 VanDerWaalsContact O-N 3.13Å |
| 210 | V | 52 | Low | 44.7 | Very low | 91 Ų | 91 | 117.5 Ų | 117.5 | 55% | 0.552 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -72.3 | -36.5 | 177.5 | 177.6 | 0 | 0 | 0 | 0 | 111.5 | A206 A207 A208 A212 Q213 | A206-V210 PolarHBondContact O-N 3.25Å; A207-V210 PolarHBondContact O-N 2.99Å; A208-V210 PolarHBondContact O-N 2.98Å; V210-A212 VanDerWaalsContact C-N 3.34Å; V210-A212 PolarHBondContact O-N 3.13Å; V210-Q213 PolarHBondContact O-N 2.87Å |
| 211 | A | 47 | Very low | 44.4 | Very low | 70 Ų | 70 | 121 Ų | 121 | 58% | 0.579 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -65 | -36.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A207 A208 Q213 | A207-A211 PolarHBondContact O-N 3.18Å; A208-A211 PolarHBondContact O-N 3.49Å; A211-Q213 VanDerWaalsContact C-N 3.32Å; A211-Q213 PolarHBondContact O-N 3.32Å |
| 212 | A | 46.1 | Very low | 44.1 | Very low | 68 Ų | 68 | 123.2 Ų | 123.2 | 56% | 0.562 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -69.8 | -23.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A208 V210 | A208-A212 PolarHBondContact O-N 3.27Å; V210-A212 VanDerWaalsContact C-N 3.34Å; V210-A212 PolarHBondContact O-N 3.13Å |
| 213 | Q | 46.2 | Very low | 43.8 | Very low | 158 Ų | 158 | 125.9 Ų | 125.9 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -80 | -17.1 | -179.4 | -83.4 | -172.1 | -28.2 | 0 | 0 | 114.7 | V210 A211 | V210-Q213 PolarHBondContact O-N 2.87Å; A211-Q213 VanDerWaalsContact C-N 3.32Å; A211-Q213 PolarHBondContact O-N 3.32Å |
| 214 | Q | 47.9 | Very low | 43.8 | Very low | 165 Ų | 165 | 126.7 Ų | 126.7 | 77% | 0.771 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -83.2 | -15.5 | -175.6 | -71.4 | -164.8 | 5 | 0 | 0 | 115.6 | | |
| 215 | Q | 47.9 | Very low | 43.4 | Very low | 179 Ų | 179 | 131.6 Ų | 131.6 | 84% | 0.836 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -88.3 | -0.9 | -178 | -78.4 | -161.7 | -42.1 | 0 | 0 | 115.9 | | |
| 216 | H | 42.9 | Very low | 42.9 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 78% | 0.778 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -102.5 | 12.3 | -172.3 | -86.3 | 89.9 | 0 | 0 | 0 | 116.2 | | |
| 217 | Q | 39.2 | Very low | 42.5 | Very low | 176 Ų | 176 | 138.5 Ų | 138.5 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | | | trans | -119.6 | 74.5 | 176.7 | -70.5 | -162.9 | 38.5 | 0 | 0 | 113.9 | | |
| 218 | H | 37.1 | Very low | 42.4 | Very low | 177 Ų | 177 | 144.7 Ų | 144.7 | 82% | 0.819 | 75% | 0.745 | S | S | * | * | | | trans | -128.5 | 106.2 | 154.1 | -77.6 | -70.6 | 0 | 0 | 0 | 109.4 | H220 | H218-H220 PolarHBondContact O-N 3.22Š|
| 219 | P | 42 | Very low | 42.1 | Very low | 122 Ų | 122 | 150.5 Ų | 150.5 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | | | trans | -74 | 110.7 | 178.4 | 29 | -32.4 | 0 | 0 | 0 | 110.1 | Q221 | P219-Q221 PolarHBondContact O-N 3.31Š|
| 220 | H | 37.5 | Very low | 41.7 | Very low | 189 Ų | 189 | 157 Ų | 157 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | | | trans | -77.9 | 103.7 | 171.1 | -128.1 | 68.4 | 0 | 0 | 0 | 109.2 | H218 | H218-H220 PolarHBondContact O-N 3.22Š|
| 221 | Q | 37.1 | Very low | 41.2 | Very low | 173 Ų | 173 | 162.1 Ų | 162.1 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | | | trans | -67.5 | 145.2 | 173 | -87.1 | -175.6 | -2.6 | 0 | 0 | 111.2 | P219 | P219-Q221 PolarHBondContact O-N 3.31Š|
| 222 | Q | 37.7 | Very low | 40.8 | Very low | 179 Ų | 179 | 168.3 Ų | 168.3 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | | | trans | -76.6 | 134.6 | -177.6 | -61.7 | 168.5 | -14.3 | 0 | 0 | 111.2 | | |
| 223 | H | 34.9 | Very low | 40.5 | Very low | 183 Ų | 183 | 169.5 Ų | 169.5 | 85% | 0.847 | 83% | 0.826 | S | S | * | * | | | trans | -138.8 | 99.7 | 155.4 | -89.5 | -86.1 | 0 | 0 | 0 | 109.1 | | |
| 224 | P | 44.8 | Very low | 40.2 | Very low | 106 Ų | 106 | 171 Ų | 171 | 69% | 0.688 | 83% | 0.833 | S | S | * | * | | | trans | -81 | 168.3 | 163.8 | 34.1 | -32.3 | 0 | 0 | 0 | 110.7 | | |
| 225 | Q | 36.8 | Very low | 39.6 | Very low | 176 Ų | 176 | 170.3 Ų | 170.3 | 82% | 0.822 | 84% | 0.835 | S | S | * | * | | | trans | 79.9 | 93.1 | 156.5 | -144.7 | 170.7 | 16.4 | 0 | 0 | 117 | | |
| 226 | Q | 36.8 | Very low | 39.1 | Very low | 165 Ų | 165 | 170.7 Ų | 170.7 | 77% | 0.771 | 84% | 0.837 | S | S | * | * | | | | 179.8 | 160 | 101.7 | -93.4 | -169.3 | 28.2 | 0 | 0 | 114.7 | | |
| 227 | Q | 40 | Very low | 38.6 | Very low | 174 Ų | 174 | 166 Ų | 166 | 81% | 0.813 | 83% | 0.834 | S | S | * | * | | | trans | 68.7 | 66.8 | 158.4 | -72.8 | 179.4 | 0.1 | 0 | 0 | 120.4 | Q229 | Q227-Q229 PolarHBondContact O-N 2.9Š|
| 228 | Q | 42.2 | Very low | 38.7 | Very low | 198 Ų | 198 | 166.7 Ų | 166.7 | 93% | 0.925 | 84% | 0.837 | S | S | * | * | | | trans | -54.9 | 96.3 | 135.9 | -174.2 | -179.2 | 48.5 | 0 | 0 | 111.8 | | |
| 229 | Q | 40.6 | Very low | 39.4 | Very low | 185 Ų | 185 | 163 Ų | 163 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | | | trans | -168.2 | 97 | 157.4 | -118.1 | -177.8 | 25.2 | 0 | 0 | 113.6 | Q227 | Q227-Q229 PolarHBondContact O-N 2.9Š|
| 230 | Q | 39.1 | Very low | 39.4 | Very low | 194 Ų | 194 | 165.1 Ų | 165.1 | 91% | 0.907 | 83% | 0.827 | S | S | * | * | | | trans | 170 | 86.8 | 140.1 | -97.9 | -179.8 | 12.4 | 0 | 0 | 109.9 | | |
| 231 | Q | 41.6 | Very low | 39.5 | Very low | 200 Ų | 200 | 165.8 Ų | 165.8 | 94% | 0.935 | 83% | 0.83 | S | S | * | * | | | trans | -152.3 | 63.7 | 169.2 | -118.8 | 165.2 | 35.3 | 0 | 0 | 111 | | |
| 232 | Q | 39.3 | Very low | 39.6 | Very low | 199 Ų | 199 | 165 Ų | 165 | 93% | 0.93 | 83% | 0.831 | S | S | * | * | | | trans | -157.1 | 81.4 | 167 | -122 | 176.3 | 2 | 0 | 0 | 111.5 | | |
| 233 | A | 38.8 | Very low | 39.8 | Very low | 93 Ų | 93 | 165 Ų | 165 | 77% | 0.769 | 83% | 0.833 | S | S | * | * | | | trans | -152.4 | 90.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 234 | Q | 40.4 | Very low | 40 | Very low | 190 Ų | 190 | 160 Ų | 160 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | | | trans | 47.5 | 85.6 | 147.1 | -69 | 171.7 | -51.9 | 0 | 0 | 119.9 | Q236 | Q234-Q236 PolarHBondContact O-N 3.02Š|
| 235 | N | 34.3 | Very low | 39.7 | Very low | 151 Ų | 151 | 159 Ų | 159 | 81% | 0.807 | 84% | 0.839 | S | S | * | * | | | | -14.9 | 111.4 | 125 | -179.4 | 33.8 | 0 | 0 | 0 | 116.4 | | |
| 236 | Q | 38.5 | Very low | 40 | Very low | 187 Ų | 187 | 154.4 Ų | 154.4 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | | | trans | -179.3 | 134.4 | 131.9 | -104.5 | 175 | 81.1 | 0 | 0 | 112.1 | Q234 | Q234-Q236 PolarHBondContact O-N 3.02Š|
| 237 | G | 32.6 | Very low | 40.2 | Very low | 69 Ų | 69 | 155 Ų | 155 | 71% | 0.711 | 85% | 0.848 | S | S | * | * | | | trans | 102.9 | 100.7 | 158.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 238 | H | 41.4 | Very low | 40.3 | Very low | 191 Ų | 191 | 150.4 Ų | 150.4 | 88% | 0.884 | 85% | 0.847 | S | S | * | * | | | trans | -115.7 | 157.5 | 142 | -69.3 | 3.2 | 0 | 0 | 0 | 105.4 | | |
| 239 | P | 51.5 | Low | 40.5 | Very low | 98 Ų | 98 | 150 Ų | 150 | 64% | 0.636 | 85% | 0.85 | S | S | * | * | | | cis | -151.9 | -171.7 | 35 | 44.6 | -23.4 | 0 | 0 | 0 | 117.6 | | |
| 240 | H | 41.2 | Very low | 40.6 | Very low | 167 Ų | 167 | 144.9 Ų | 144.9 | 77% | 0.773 | 85% | 0.847 | S | S | * | * | | | trans | 46.5 | 111.8 | 155.2 | -56.4 | -55.8 | 0 | 0 | 0 | 121.5 | | |
| 241 | H | 40.5 | Very low | 41 | Very low | 203 Ų | 203 | 143.8 Ų | 143.8 | 94% | 0.94 | 85% | 0.847 | S | S | * | * | | | trans | -136.3 | 126.3 | 136.8 | -69.2 | -62.1 | 0 | 0 | 0 | 111.3 | | |
| 242 | L | 39.1 | Very low | 41 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 82% | 0.822 | 84% | 0.837 | S | S | * | * | | | trans | -123.1 | 133.7 | 178.7 | 165.5 | 64.9 | 0 | 0 | 0 | 108 | | |
| 243 | M | 42.2 | Very low | 41.2 | Very low | 180 Ų | 180 | 136.2 Ų | 136.2 | 89% | 0.887 | 84% | 0.836 | S | S | * | * | | | trans | 71.5 | 141.4 | 159.4 | -165.9 | 177.7 | -62.4 | 0 | 0 | 119.1 | | |
| 244 | G | 38 | Very low | 41.1 | Very low | 78 Ų | 78 | 135.6 Ų | 135.6 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | | | trans | 105.6 | 131.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 245 | G | 38.8 | Very low | 41.3 | Very low | 84 Ų | 84 | 135.4 Ų | 135.4 | 87% | 0.866 | 84% | 0.843 | S | S | * | * | | | cis | 169 | 134.3 | -4.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 246 | G | 43.9 | Very low | 41.5 | Very low | 79 Ų | 79 | 131.8 Ų | 131.8 | 81% | 0.814 | 84% | 0.841 | S | S | * | * | | | trans | -161.5 | 105.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 247 | N | 41.1 | Very low | 41.7 | Very low | 178 Ų | 178 | 130.3 Ų | 130.3 | 95% | 0.952 | 84% | 0.838 | S | S | * | * | | | trans | -72.4 | 144.7 | -177.2 | -68.4 | -29.7 | 0 | 0 | 0 | 112.1 | | |
| 248 | G | 41.4 | Very low | 41.8 | Very low | 78 Ų | 78 | 134.5 Ų | 134.5 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | | | trans | -164 | 52.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G250 | G248-G250 PolarHBondContact O-N 2.93Š|
| 249 | L | 46.8 | Very low | 41.6 | Very low | 189 Ų | 189 | 133.6 Ų | 133.6 | 99% | 0.99 | 83% | 0.834 | S | S | * | * | | | trans | -72.1 | 108 | 170.8 | -74.7 | 166.6 | 0 | 0 | 0 | 109.5 | | |
| 250 | G | 42.2 | Very low | 41.6 | Very low | 77 Ų | 77 | 134.9 Ų | 134.9 | 79% | 0.794 | 84% | 0.843 | S | S | * | * | | | trans | -150.7 | 90 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G248 | G248-G250 PolarHBondContact O-N 2.93Š|
| 251 | N | 46.8 | Very low | 41 | Very low | 171 Ų | 171 | 130.3 Ų | 130.3 | 91% | 0.914 | 84% | 0.84 | S | S | * | * | | | trans | -95 | 124.4 | 174 | -173.4 | -2.2 | 0 | 0 | 0 | 108.8 | | |
| 252 | G | 41.8 | Very low | 40.9 | Very low | 69 Ų | 69 | 128.2 Ų | 128.2 | 71% | 0.711 | 83% | 0.831 | S | S | * | * | | | trans | 172.6 | 121.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 253 | N | 44.8 | Very low | 40.7 | Very low | 172 Ų | 172 | 128.9 Ų | 128.9 | 92% | 0.92 | 83% | 0.83 | S | S | * | * | | | trans | -73.1 | 144.1 | 175.5 | -60.8 | -74.6 | 0 | 0 | 0 | 111.8 | | |
| 254 | G | 35.8 | Very low | 40.8 | Very low | 79 Ų | 79 | 129.7 Ų | 129.7 | 81% | 0.814 | 83% | 0.832 | S | S | * | * | | | trans | -175.3 | 97.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 255 | L | 45.5 | Very low | 41 | Very low | 187 Ų | 187 | 135 Ų | 135 | 98% | 0.979 | 84% | 0.836 | S | S | * | * | | | trans | -22.1 | 136.2 | 166.5 | -59.9 | 162.3 | 0 | 0 | 0 | 118.2 | | |
| 256 | G | 38.7 | Very low | 40.8 | Very low | 75 Ų | 75 | 139.5 Ų | 139.5 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | | | trans | -154.8 | 80.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 257 | I | 41.7 | Very low | 40.7 | Very low | 156 Ų | 156 | 144.4 Ų | 144.4 | 80% | 0.8 | 84% | 0.836 | S | S | * | * | | | trans | 37.3 | 99 | 140.2 | -47.6 | 180 | 0 | 0 | 0 | 120.7 | | |
| 258 | Q | 34.4 | Very low | 40.6 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 73% | 0.734 | 83% | 0.832 | S | S | * | * | | | | 43 | 116 | 123.5 | -68.8 | 171.9 | -26.3 | 0 | 0 | 124.4 | | |
| 259 | H | 37.8 | Very low | 40.4 | Very low | 172 Ų | 172 | 149.2 Ų | 149.2 | 80% | 0.796 | 83% | 0.831 | S | S | * | * | | | trans | 67.1 | 168.6 | 133.2 | -65.6 | -55.1 | 0 | 0 | 0 | 121.5 | | |
| 260 | P | 51.2 | Low | 40 | Very low | 125 Ų | 125 | 148.1 Ų | 148.1 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | | | cis | -136.6 | 173.3 | -19.4 | 28.1 | -6.2 | 0 | 0 | 0 | 116.6 | | |
| 261 | G | 28.3 | Very low | 39.8 | Very low | 70 Ų | 70 | 152.2 Ų | 152.2 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | | | trans | 102.8 | 166.3 | 132.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 262 | Q | 38.1 | Very low | 39.1 | Very low | 160 Ų | 160 | 151.6 Ų | 151.6 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | | | trans | 72.9 | 97.9 | -177.6 | -47.7 | -61.8 | 8.4 | 0 | 0 | 115.8 | | |
| 263 | Q | 36.6 | Very low | 38.8 | Very low | 170 Ų | 170 | 156.6 Ų | 156.6 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | | | | 67.4 | 109 | 76 | -70 | -169.1 | 4.9 | 0 | 0 | 115.2 | | |
| 264 | Q | 43.8 | Very low | 38.2 | Very low | 197 Ų | 197 | 156.2 Ų | 156.2 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | | | | -170 | 94.1 | 124 | -105.1 | 170.4 | 10.8 | 0 | 0 | 112.2 | | |
| 265 | Q | 41 | Very low | 38.3 | Very low | 190 Ų | 190 | 161.6 Ų | 161.6 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | | | trans | -88.9 | 126.3 | 146.1 | -82 | -179.5 | -27.2 | 0 | 0 | 107.3 | | |
| 266 | Q | 35.7 | Very low | 38.3 | Very low | 178 Ų | 178 | 159 Ų | 159 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | | | trans | 152.3 | 110.9 | 143.6 | -87.6 | 176.5 | 18.4 | 0 | 0 | 110.4 | | |
| 267 | Q | 40.6 | Very low | 38.3 | Very low | 183 Ų | 183 | 158.7 Ų | 158.7 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | | | | -175.9 | 108.8 | 109.2 | -97.3 | 170 | 23.7 | 0 | 0 | 111 | | |
| 268 | Q | 39.6 | Very low | 38 | Very low | 186 Ų | 186 | 159.3 Ų | 159.3 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | | | trans | -84.1 | 167.3 | 146.2 | -70.3 | 178.9 | -5.9 | 0 | 0 | 108.3 | | |
| 269 | Q | 38 | Very low | 38.2 | Very low | 170 Ų | 170 | 163.2 Ų | 163.2 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | | | trans | 83.3 | 131.8 | -174.7 | -55.1 | -172.9 | 33.4 | 0 | 0 | 113.4 | | |
| 270 | Q | 38.8 | Very low | 38.3 | Very low | 167 Ų | 167 | 159.9 Ų | 159.9 | 78% | 0.78 | 80% | 0.801 | S | S | * | * | | | cis | -131.5 | 135.7 | 0 | -86.3 | 136.2 | 42.1 | 0 | 0 | 108.7 | | |
| 271 | Q | 37.4 | Very low | 37.7 | Very low | 162 Ų | 162 | 158.6 Ų | 158.6 | 76% | 0.757 | 80% | 0.801 | S | S | * | * | | | | 68.6 | 121.8 | 80.9 | -99.5 | -161.3 | 65.3 | 0 | 0 | 118 | | |
| 272 | Q | 32.5 | Very low | 38.2 | Very low | 158 Ų | 158 | 159.4 Ų | 159.4 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | | | trans | 69 | 102.1 | 154 | -58 | -172.2 | 40.9 | 0 | 0 | 121.3 | | |
| 273 | Q | 34.3 | Very low | 38.5 | Very low | 175 Ų | 175 | 160.5 Ų | 160.5 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | | -159.3 | 115.9 | 124.8 | -114.1 | 156 | 93.6 | 0 | 0 | 114.2 | | |
| 274 | Q | 33.6 | Very low | 39.1 | Very low | 163 Ų | 163 | 160.5 Ų | 160.5 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | | | trans | 45.6 | 102.2 | 145.3 | -55.4 | -178.7 | 24.3 | 0 | 0 | 121.4 | | |
| 275 | H | 36.4 | Very low | 38.7 | Very low | 192 Ų | 192 | 156.3 Ų | 156.3 | 89% | 0.889 | 79% | 0.787 | S | S | * | * | | | trans | -139.6 | 106.1 | 142.5 | -72 | -59.1 | 0 | 0 | 0 | 111 | | |
| 276 | P | 45.6 | Very low | 38.5 | Very low | 132 Ų | 132 | 156.2 Ų | 156.2 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | | | trans | -86.9 | 112.9 | 162.8 | 32.1 | -27.3 | 0 | 0 | 0 | 109.4 | | |
| 277 | G | 39 | Very low | 38.5 | Very low | 69 Ų | 69 | 152.3 Ų | 152.3 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | trans | -145.4 | 96.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 278 | Q | 36.1 | Very low | 38.5 | Very low | 170 Ų | 170 | 148 Ų | 148 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | | | trans | -61.9 | 132.8 | -169.2 | -64 | 175.7 | -7.7 | 0 | 0 | 114.1 | N280 | Q278-N280 PolarHBondContact O-N 3.37Å; Q278-N280 VanDerWaalsContact O-N 3.09Å |
| 279 | Y | 38.7 | Very low | 38.6 | Very low | 238 Ų | 238 | 143.7 Ų | 143.7 | 93% | 0.933 | 78% | 0.776 | S | S | * | * | | | trans | -68.8 | 95.2 | 151.5 | -67.6 | -86.4 | 0 | 0 | 0 | 108.6 | A281 | Y279-A281 PolarHBondContact O-N 2.73Š|
| 280 | N | 38.8 | Very low | 38.8 | Very low | 103 Ų | 103 | 144.3 Ų | 144.3 | 55% | 0.551 | 78% | 0.784 | S | S | * | * | | | trans | -96.5 | 97.4 | -176.9 | -163.4 | 9.5 | 0 | 0 | 0 | 112.2 | Q278 N282 | Q278-N280 PolarHBondContact O-N 3.37Å; Q278-N280 VanDerWaalsContact O-N 3.09Å; N280-N282 PolarHBondContact O-N 3.33Å; N280-N282 PolarHBondContact OD1-ND2 3.4Å |
| 281 | A | 39 | Very low | 39 | Very low | 97 Ų | 97 | 139 Ų | 139 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | | | trans | -74.1 | 85.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y279 | Y279-A281 PolarHBondContact O-N 2.73Š|
| 282 | N | 37.8 | Very low | 39 | Very low | 87 Ų | 87 | 140.7 Ų | 140.7 | 47% | 0.465 | 78% | 0.782 | S | S | . | * | | | trans | -140.9 | 27.3 | -178.6 | -101.8 | -57.3 | 0 | 0 | 0 | 115.6 | N280 L284 | N280-N282 PolarHBondContact O-N 3.33Å; N280-N282 PolarHBondContact OD1-ND2 3.4Å; N282-L284 VanDerWaalsContact C-N 3.28Å |
| 283 | L | 45.3 | Very low | 39.4 | Very low | 184 Ų | 184 | 142.2 Ų | 142.2 | 96% | 0.963 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -1.6 | 166.3 | -108 | 70.6 | 0 | 0 | 0 | 114.1 | | |
| 284 | L | 49.2 | Very low | 39.4 | Very low | 170 Ų | 170 | 139.5 Ų | 139.5 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | 6.1 | -176.7 | -155.9 | 63.7 | 0 | 0 | 0 | 114 | N282 | N282-L284 VanDerWaalsContact C-N 3.28Š|
| 285 | N | 36.4 | Very low | 39.3 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 58% | 0.578 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -124.4 | 46.2 | -176 | -157.5 | -1.7 | 0 | 0 | 0 | 113.5 | | |
| 286 | H | 35.6 | Very low | 39.3 | Very low | 189 Ų | 189 | 136.3 Ų | 136.3 | 88% | 0.875 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -133.9 | 10.3 | 167.2 | -103 | 52.7 | 0 | 0 | 0 | 113.4 | | |
| 287 | A | 36.1 | Very low | 38.8 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -92.9 | -1.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 288 | A | 41.3 | Very low | 38.9 | Very low | 93 Ų | 93 | 140.9 Ų | 140.9 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -122.6 | 51.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 289 | A | 40.5 | Very low | 38.8 | Very low | 96 Ų | 96 | 138.8 Ų | 138.8 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | | | trans | -138.8 | 25.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G291 | A289-G291 PolarHBondContact O-N 2.98Š|
| 290 | L | 42.6 | Very low | 38.5 | Very low | 182 Ų | 182 | 131 Ų | 131 | 95% | 0.953 | 78% | 0.783 | S | S | * | * | | | trans | -82.1 | 88.5 | 166 | -94.9 | 165.3 | 0 | 0 | 0 | 109.2 | | |
| 291 | G | 43.3 | Very low | 38.2 | Very low | 56 Ų | 56 | 130 Ų | 130 | 58% | 0.577 | 80% | 0.797 | S | S | * | * | | | trans | 161.5 | 72.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | A289 | A289-G291 PolarHBondContact O-N 2.98Š|
| 292 | H | 37.8 | Very low | 38.3 | Very low | 197 Ų | 197 | 131.3 Ų | 131.3 | 91% | 0.912 | 80% | 0.801 | S | S | * | * | | | trans | -152.9 | 101.7 | 144.6 | -92 | -62.8 | 0 | 0 | 0 | 109.8 | | |
| 293 | M | 41 | Very low | 38.4 | Very low | 190 Ų | 190 | 135.4 Ų | 135.4 | 94% | 0.936 | 82% | 0.819 | S | S | * | * | | | trans | -70.2 | 135.1 | 157.9 | -54.4 | 177.7 | -150.4 | 0 | 0 | 107.6 | | |
| 294 | S | 34.5 | Very low | 37.9 | Very low | 118 Ų | 118 | 137 Ų | 137 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | trans | -154.9 | 121.2 | 153.2 | -153.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 295 | S | 29.9 | Very low | 37.3 | Very low | 80 Ų | 80 | 134 Ų | 134 | 56% | 0.559 | 80% | 0.798 | S | S | * | * | | | trans | 31.5 | 121.1 | 153.6 | -143.6 | 0 | 0 | 0 | 0 | 120.7 | | |
| 296 | Y | 36.8 | Very low | 37.5 | Very low | 208 Ų | 208 | 136.7 Ų | 136.7 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | | | trans | -38.7 | 136.5 | 137 | 45 | -88.2 | 0 | 0 | 0 | 111.5 | | |
| 297 | A | 34.5 | Very low | 37.8 | Very low | 98 Ų | 98 | 136 Ų | 136 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | | | trans | -134.1 | 108.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | S299 | A297-S299 PolarHBondContact O-N 3.05Š|
| 298 | Q | 42.5 | Very low | 37.7 | Very low | 200 Ų | 200 | 135.3 Ų | 135.3 | 94% | 0.935 | 81% | 0.806 | S | S | * | * | | | trans | -73.1 | 119.7 | 168.9 | -73.5 | 171.4 | -97.7 | 0 | 0 | 109.8 | | |
| 299 | S | 33 | Very low | 37.4 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | | | trans | -170.7 | 132.8 | 159.4 | -172.5 | 0 | 0 | 0 | 0 | 106.4 | A297 | A297-S299 PolarHBondContact O-N 3.05Š|
| 300 | G | 32.8 | Very low | 37.3 | Very low | 76 Ų | 76 | 134.9 Ų | 134.9 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | | | cis | 155.6 | 129.4 | 3.6 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 301 | G | 32.3 | Very low | 37.2 | Very low | 82 Ų | 82 | 135.3 Ų | 135.3 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | | | trans | 145.9 | 75.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 302 | S | 40.4 | Very low | 37.1 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 87% | 0.867 | 82% | 0.823 | S | S | * | * | | | trans | -75.4 | 116.4 | 151.1 | -65.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 303 | M | 39.7 | Very low | 37.5 | Very low | 173 Ų | 173 | 137.6 Ų | 137.6 | 85% | 0.852 | 82% | 0.816 | S | S | * | * | | | trans | -163.1 | 85.7 | 155.4 | -81.6 | -140.8 | -60.2 | 0 | 0 | 110.4 | | |
| 304 | Y | 36.2 | Very low | 37.1 | Very low | 216 Ų | 216 | 132 Ų | 132 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | | | trans | -144.9 | 76 | 145.9 | -101 | -73.3 | 0 | 0 | 0 | 108 | | |
| 305 | D | 36.9 | Very low | 37.4 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 57% | 0.572 | 81% | 0.811 | S | S | * | * | | | trans | -72.3 | 135.7 | 163.2 | 171.8 | 39.2 | 0 | 0 | 0 | 109.4 | H307 | D305-H307 VanDerWaalsContact CG-CD2 3.49Å; D305-H307 IonicContact OD1-CD2 3.74Å; D305-H307 PolarHBondContact OD1-CD2 3.22Å; D305-H307 IonicContact OD1-CG 3.18Å; D305-H307 PolarHBondContact OD1-N 3.32Å; D305-H307 IonicContact OD1-ND1 3.96Å; D305-H307 IonicContact OD1-NE2 3.93Å; D305-H307 IonicContact OD2-CD2 2.73Å; D305-H307 PolarHBondContact OD2-CD2 3.13Å; D305-H307 IonicContact OD2-CG 3.17Å |
| 306 | H | 40.5 | Very low | 37.9 | Very low | 166 Ų | 166 | 139.7 Ų | 139.7 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | | | trans | -137.9 | 69 | 164.5 | -87.9 | -66.8 | 0 | 0 | 0 | 108.6 | G308 | H306-G308 PolarHBondContact O-N 2.81Š|
| 307 | H | 41.3 | Very low | 37.8 | Very low | 175 Ų | 175 | 133.2 Ų | 133.2 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | | | trans | -56.7 | 126.8 | 163.2 | -79.7 | -53.7 | 0 | 0 | 0 | 111.2 | D305 | D305-H307 VanDerWaalsContact CG-CD2 3.49Å; D305-H307 IonicContact OD1-CD2 3.74Å; D305-H307 PolarHBondContact OD1-CD2 3.22Å; D305-H307 IonicContact OD1-CG 3.18Å; D305-H307 PolarHBondContact OD1-N 3.32Å; D305-H307 IonicContact OD1-ND1 3.96Å; D305-H307 IonicContact OD1-NE2 3.93Å; D305-H307 IonicContact OD2-CD2 2.73Å; D305-H307 PolarHBondContact OD2-CD2 3.13Å; D305-H307 IonicContact OD2-CG 3.17Å |
| 308 | G | 33.9 | Very low | 37.9 | Very low | 80 Ų | 80 | 131.9 Ų | 131.9 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | | | trans | -172.4 | 79.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | H306 | H306-G308 PolarHBondContact O-N 2.81Š|
| 309 | G | 34.2 | Very low | 37.9 | Very low | 80 Ų | 80 | 131.1 Ų | 131.1 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | | | trans | 99.2 | 99.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 310 | A | 39.8 | Very low | 38.5 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | trans | -78.1 | 143.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 311 | M | 39.9 | Very low | 39 | Very low | 192 Ų | 192 | 137.1 Ų | 137.1 | 95% | 0.946 | 82% | 0.82 | S | S | * | * | | | trans | -175.9 | 109.7 | 135.6 | -79.9 | -133.9 | -122.9 | 0 | 0 | 110.5 | | |
| 312 | H | 42.1 | Very low | 39.2 | Very low | 184 Ų | 184 | 141.8 Ų | 141.8 | 85% | 0.852 | 82% | 0.82 | S | S | * | * | | | trans | -83.2 | 174.9 | 154.3 | -119.2 | -154.3 | 0 | 0 | 0 | 108.2 | | |
| 313 | P | 44.9 | Very low | 39.4 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | | | cis | -135.3 | 171.9 | -7.5 | 38.1 | -20.8 | 0 | 0 | 0 | 114.7 | | |
| 314 | G | 32.1 | Very low | 39.8 | Very low | 71 Ų | 71 | 142.5 Ų | 142.5 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | | | trans | 149.8 | 155.2 | 150.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 315 | M | 41.1 | Very low | 40.2 | Very low | 188 Ų | 188 | 140.4 Ų | 140.4 | 93% | 0.926 | 82% | 0.821 | S | S | * | * | | | trans | 74.5 | 83.6 | 153.3 | -55.8 | -179.5 | 78.9 | 0 | 0 | 119.6 | | |
| 316 | N | 41.4 | Very low | 40.2 | Very low | 173 Ų | 173 | 138.8 Ų | 138.8 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | | | trans | -4.7 | 135.8 | 132 | -165 | -5.7 | 0 | 0 | 0 | 118.2 | | |
| 317 | G | 34.7 | Very low | 40.5 | Very low | 72 Ų | 72 | 136.9 Ų | 136.9 | 74% | 0.742 | 83% | 0.832 | S | S | * | * | | | trans | 137.2 | 126.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 318 | G | 35.5 | Very low | 40.6 | Very low | 70 Ų | 70 | 134.7 Ų | 134.7 | 72% | 0.722 | 83% | 0.834 | S | S | * | * | | | cis | 152.4 | 144.2 | 19 | 0 | 0 | 0 | 0 | 0 | 105.5 | | |
| 319 | M | 42.3 | Very low | 40.5 | Very low | 184 Ų | 184 | 134.4 Ų | 134.4 | 91% | 0.906 | 83% | 0.83 | S | S | * | * | | | trans | -60.5 | 134.2 | -167.9 | -52.7 | 167 | -156.4 | 0 | 0 | 113.1 | K321 | M319-K321 PolarHBondContact O-N 3.13Å; M319-K321 VanDerWaalsContact O-N 3.16Å |
| 320 | P | 47.1 | Very low | 40.8 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 81% | 0.805 | 83% | 0.833 | S | S | * | * | | | trans | -81.5 | 90.3 | 163.8 | 32.1 | -31.3 | 0 | 0 | 0 | 110 | | |
| 321 | K | 42.4 | Very low | 40.4 | Very low | 203 Ų | 203 | 135 Ų | 135 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | | | trans | -94 | 99 | 165.3 | -152.8 | 179.2 | -169.7 | -178.9 | 0 | 108.3 | M319 | M319-K321 PolarHBondContact O-N 3.13Å; M319-K321 VanDerWaalsContact O-N 3.16Å |
| 322 | Q | 36.7 | Very low | 40 | Very low | 180 Ų | 180 | 129.4 Ų | 129.4 | 84% | 0.841 | 83% | 0.827 | S | S | * | * | | | trans | -112.1 | 107.9 | 175.8 | -74.3 | -172.8 | -4.2 | 0 | 0 | 111.4 | | |
| 323 | Q | 44.5 | Very low | 40.1 | Very low | 185 Ų | 185 | 126.4 Ų | 126.4 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | | | trans | -140.1 | 131.8 | 148.5 | -73.3 | -173.6 | -24.1 | 0 | 0 | 105.3 | | |
| 324 | P | 48 | Very low | 39.8 | Very low | 127 Ų | 127 | 128 Ų | 128 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | | | | -142.7 | 131.1 | 94.1 | 31 | -13.3 | 0 | 0 | 0 | 114.2 | | |
| 325 | L | 45 | Very low | 40.2 | Very low | 172 Ų | 172 | 130.5 Ų | 130.5 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | | | trans | -93.9 | 138.7 | 154.3 | -94.1 | 72.4 | 0 | 0 | 0 | 108.5 | | |
| 326 | G | 36.1 | Very low | 40 | Very low | 73 Ų | 73 | 132.6 Ų | 132.6 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | | | trans | -83.4 | 164.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 327 | P | 47.1 | Very low | 40 | Very low | 126 Ų | 126 | 131 Ų | 131 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | trans | -101.3 | -168 | 171.7 | 44.2 | -37 | 0 | 0 | 0 | 110.5 | | |
| 328 | P | 43.4 | Very low | 40 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | | | cis | -127.5 | 169.5 | -14.1 | 38.1 | -23.2 | 0 | 0 | 0 | 113.9 | | |
| 329 | G | 33.2 | Very low | 39.9 | Very low | 73 Ų | 73 | 142 Ų | 142 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | | | trans | 175 | 109.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 330 | A | 38.9 | Very low | 39.3 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 88% | 0.884 | 82% | 0.815 | S | S | * | * | | | trans | 47.7 | 121.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 331 | G | 32.6 | Very low | 38.7 | Very low | 86 Ų | 86 | 134.6 Ų | 134.6 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | | | cis | 90.9 | 80.4 | 10.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 332 | G | 31.7 | Very low | 38.2 | Very low | 73 Ų | 73 | 133.7 Ų | 133.7 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | | | trans | -170.9 | 143.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 333 | P | 44.2 | Very low | 38.2 | Very low | 121 Ų | 121 | 131 Ų | 131 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | | | trans | -121.4 | 154.1 | -147.9 | 11.1 | 14.3 | 0 | 0 | 0 | 117 | | |
| 334 | Q | 38.7 | Very low | 37.6 | Very low | 152 Ų | 152 | 128.8 Ų | 128.8 | 71% | 0.71 | 81% | 0.808 | S | S | * | * | | | trans | 58.6 | 132.4 | 141.7 | -53.7 | -55.9 | 49.1 | 0 | 0 | 123.2 | | |
| 335 | D | 38.8 | Very low | 37.2 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 65% | 0.652 | 81% | 0.806 | S | S | * | * | | | trans | 47.1 | 109 | 130.5 | -53.7 | -35.3 | 0 | 0 | 0 | 120.6 | | |
| 336 | Y | 38.2 | Very low | 37.4 | Very low | 232 Ų | 232 | 125.8 Ų | 125.8 | 91% | 0.91 | 80% | 0.797 | S | S | * | * | | | trans | -129.7 | 87.8 | 139.7 | -83.9 | -82.1 | 0 | 0 | 0 | 110.8 | | |
| 337 | V | 41.8 | Very low | 37.2 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | | | trans | -89.3 | 110.4 | 154.6 | 177.3 | 0 | 0 | 0 | 0 | 106.9 | | |
| 338 | Y | 32.8 | Very low | 36.3 | Very low | 210 Ų | 210 | 128.3 Ų | 128.3 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | | | trans | -130.1 | 145.2 | 164.6 | -169.6 | -103 | 0 | 0 | 0 | 111.1 | | |
| 339 | M | 34 | Very low | 35.8 | Very low | 164 Ų | 164 | 127.5 Ų | 127.5 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | | | trans | -75.8 | 155 | -164.9 | -64.2 | 164.2 | 168.5 | 0 | 0 | 113.7 | | |
| 340 | G | 31 | Very low | 35.7 | Very low | 76 Ų | 76 | 128.2 Ų | 128.2 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | | | trans | 125.6 | 123 | 134.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 341 | G | 33 | Very low | 35.6 | Very low | 76 Ų | 76 | 131.6 Ų | 131.6 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | | | trans | 68.7 | 97.6 | 131.9 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 342 | Q | 32.2 | Very low | 35.8 | Very low | 184 Ų | 184 | 136.4 Ų | 136.4 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | | 37.1 | 115.9 | 129.3 | -106.7 | 177.2 | -31.9 | 0 | 0 | 120.7 | | |
| 343 | T | 37.4 | Very low | 36.5 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 77% | 0.767 | 80% | 0.799 | S | S | * | * | | | trans | 59.7 | 129.9 | 143.8 | 24 | 0 | 0 | 0 | 0 | 120.8 | | |
| 344 | T | 31.3 | Very low | 36.7 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | | | | 163.3 | 161.7 | 129.8 | -70 | 0 | 0 | 0 | 0 | 112.5 | | |
| 345 | V | 39.2 | Very low | 37.1 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 78% | 0.782 | 80% | 0.804 | S | S | * | * | | | trans | -137.4 | 166 | -177.1 | -96.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 346 | P | 49.3 | Very low | 37.3 | Very low | 108 Ų | 108 | 140 Ų | 140 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | | | cis | -136.3 | -134 | 18.1 | 37.5 | -13 | 0 | 0 | 0 | 113.3 | | |
| 347 | M | 31.7 | Very low | 37.7 | Very low | 184 Ų | 184 | 138.1 Ų | 138.1 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | | | trans | 74.1 | 141.9 | 171.9 | -98.2 | 73.7 | 172.5 | 0 | 0 | 118.4 | | |
| 348 | G | 28.6 | Very low | 37.7 | Very low | 68 Ų | 68 | 142.4 Ų | 142.4 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | | | cis | 158.1 | 130.2 | -11.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 349 | A | 32.3 | Very low | 38.2 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | | | trans | 61.8 | 156.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 350 | A | 32.3 | Very low | 38.4 | Very low | 88 Ų | 88 | 138.9 Ų | 138.9 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | cis | -142.7 | 178.8 | 1.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 351 | M | 35.9 | Very low | 38.8 | Very low | 179 Ų | 179 | 140.4 Ų | 140.4 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | | | cis | -153 | 150.8 | 18.7 | -55 | 170 | 171.9 | 0 | 0 | 109.2 | | |
| 352 | M | 37.2 | Very low | 39.3 | Very low | 186 Ų | 186 | 141.4 Ų | 141.4 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | | | trans | -176.9 | 133.3 | 138.8 | -85.8 | -134 | 172.8 | 0 | 0 | 109.4 | | |
| 353 | P | 46.4 | Very low | 39.9 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | | | trans | -82.7 | 145.2 | -178.8 | 32.7 | -34.2 | 0 | 0 | 0 | 112.6 | Q355 | P353-Q355 PolarHBondContact O-N 3.16Š|
| 354 | P | 49.3 | Very low | 40.2 | Very low | 131 Ų | 131 | 135.4 Ų | 135.4 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | | | trans | -83 | 114.3 | 172.7 | 32.1 | -30.8 | 0 | 0 | 0 | 110.5 | | |
| 355 | Q | 47.3 | Very low | 40.5 | Very low | 163 Ų | 163 | 133 Ų | 133 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | | | trans | -125 | 133.9 | 172.3 | -118.1 | 157.7 | -26.1 | 0 | 0 | 111 | P353 | P353-Q355 PolarHBondContact O-N 3.16Š|
| 356 | N | 41.5 | Very low | 40.5 | Very low | 147 Ų | 147 | 130.9 Ų | 130.9 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | | | trans | 75.1 | 66.9 | 171.7 | -53 | -21 | 0 | 0 | 0 | 118.1 | | |
| 357 | Q | 46.4 | Very low | 39.9 | Very low | 192 Ų | 192 | 130 Ų | 130 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | | | trans | -92.6 | 6 | 159.8 | -76.1 | -161 | -1.4 | 0 | 0 | 114.8 | | |
| 358 | Y | 42.2 | Very low | 40.4 | Very low | 229 Ų | 229 | 128.1 Ų | 128.1 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -109.6 | 16.6 | -168.3 | -117.2 | -85.2 | 0 | 0 | 0 | 116.6 | | |
| 359 | M | 44.6 | Very low | 40.9 | Very low | 174 Ų | 174 | 136.1 Ų | 136.1 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -130.4 | 19.6 | -176.6 | -85.3 | -179.4 | 173.1 | 0 | 0 | 115.6 | | |
| 360 | N | 38.1 | Very low | 41.3 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 67% | 0.674 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -133.4 | 46.2 | 174.9 | -154.4 | -9 | 0 | 0 | 0 | 114 | | |
| 361 | S | 39 | Very low | 41.7 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -119.6 | -5.9 | 172.1 | -51.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 362 | S | 44.2 | Very low | 41.8 | Very low | 98 Ų | 98 | 139.1 Ų | 139.1 | 69% | 0.685 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -98.4 | -19.7 | -179.2 | 46.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 363 | A | 43.4 | Very low | 42.1 | Very low | 66 Ų | 66 | 136.8 Ų | 136.8 | 55% | 0.545 | 80% | 0.804 | S | S | . | * | S | Bend | trans | -77.2 | -28.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 364 | V | 43.3 | Very low | 41.8 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 70% | 0.703 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -17.5 | -174 | -176.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 365 | A | 37.8 | Very low | 41.4 | Very low | 87 Ų | 87 | 138.9 Ų | 138.9 | 72% | 0.719 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -11.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 366 | A | 39.3 | Very low | 41.1 | Very low | 84 Ų | 84 | 137.5 Ų | 137.5 | 69% | 0.694 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -93.7 | -19.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | N368 | A366-N368 VanDerWaalsContact C-N 3.35Å; A366-N368 PolarHBondContact O-N 3.08Å |
| 367 | A | 37.5 | Very low | 41 | Very low | 91 Ų | 91 | 136.9 Ų | 136.9 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -81.6 | -9.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 368 | N | 42.2 | Very low | 40.7 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -115.7 | 55.3 | -170.9 | -157.4 | 1.1 | 0 | 0 | 0 | 112.9 | A366 | A366-N368 VanDerWaalsContact C-N 3.35Å; A366-N368 PolarHBondContact O-N 3.08Å |
| 369 | R | 39.1 | Very low | 40.6 | Very low | 236 Ų | 236 | 126.4 Ų | 126.4 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -148.5 | 27.2 | 171.8 | -148.3 | -165.6 | -72.3 | 178.7 | -3.4 | 114.2 | | |
| 370 | N | 39.8 | Very low | 40.3 | Very low | 166 Ų | 166 | 122.8 Ų | 122.8 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -132.9 | 37.4 | 180 | -143.1 | 25.5 | 0 | 0 | 0 | 112.7 | | |
| 371 | A | 41.4 | Very low | 40.5 | Very low | 100 Ų | 100 | 122.5 Ų | 122.5 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | | | trans | -141.8 | 73.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 372 | A | 38.4 | Very low | 40.6 | Very low | 176 Ų | 176 | 123.9 Ų | 123.9 | 100% | 1.455 | 81% | 0.811 | S | S | * | * | | | trans | -146 | 0 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |