| 1 | M | 46.6 | Very low | 38 | Very low | 240 Ų | 240 | 147.8 Ų | 147.8 | 100% | 1.182 | 82% | 0.823 | S | S | * | * | | | | 0 | 114.2 | 0 | -76.8 | 169.5 | 150.6 | 0 | 0 | 107 | | |
| 2 | Y | 30.8 | Very low | 38.4 | Very low | 232 Ų | 232 | 145.3 Ų | 145.3 | 91% | 0.91 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 130 | -177.2 | -71.2 | -87.8 | 0 | 0 | 0 | 109.7 | S4 | Y2-S4 PolarHBondContact O-N 2.81Š|
| 3 | P | 45.4 | Very low | 38.6 | Very low | 127 Ų | 127 | 142.9 Ų | 142.9 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 118.8 | 168.8 | 29.7 | -26.6 | 0 | 0 | 0 | 109.5 | | |
| 4 | S | 39.8 | Very low | 39.3 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 131.1 | 173 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | Y2 | Y2-S4 PolarHBondContact O-N 2.81Š|
| 5 | S | 38.7 | Very low | 39.4 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -74 | 155.8 | 157.7 | 48 | 0 | 0 | 0 | 0 | 110.3 | | |
| 6 | G | 35.5 | Very low | 39.2 | Very low | 62 Ų | 62 | 140.1 Ų | 140.1 | 64% | 0.639 | 81% | 0.814 | S | S | * | * | | | trans | 109.4 | 134.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 7 | V | 37.7 | Very low | 39.1 | Very low | 131 Ų | 131 | 140 Ų | 140 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | | | cis | -155.1 | 128.5 | 26.4 | 177.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 8 | Y | 36.8 | Very low | 39.3 | Very low | 231 Ų | 231 | 141.7 Ų | 141.7 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | | | trans | 14.9 | 128 | 139.1 | -69.9 | -101 | 0 | 0 | 0 | 118.3 | | |
| 9 | G | 36.8 | Very low | 39.4 | Very low | 64 Ų | 64 | 139.1 Ų | 139.1 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | | | trans | 167.7 | 88.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 10 | Q | 35 | Very low | 39.2 | Very low | 178 Ų | 178 | 135.7 Ų | 135.7 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | | 56.3 | 124.6 | 102.1 | -66.9 | -171.8 | 34.3 | 0 | 0 | 111.6 | | |
| 11 | N | 35.4 | Very low | 39.1 | Very low | 135 Ų | 135 | 136 Ų | 136 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | | | cis | 179.9 | 163.2 | 11.1 | -109.5 | -36.1 | 0 | 0 | 0 | 104.1 | | |
| 12 | V | 42.2 | Very low | 38.9 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 71% | 0.709 | 78% | 0.78 | S | S | * | * | | | trans | 93.3 | 102.2 | 162.7 | -163.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 13 | P | 41.8 | Very low | 39.5 | Very low | 115 Ų | 115 | 125.9 Ų | 125.9 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | | | trans | -83.7 | 116 | 167.2 | 31.8 | -25.9 | 0 | 0 | 0 | 109.8 | T15 | P13-T15 PolarHBondContact O-N 2.9Š|
| 14 | L | 48 | Very low | 39.4 | Very low | 168 Ų | 168 | 126.9 Ų | 126.9 | 88% | 0.88 | 76% | 0.757 | S | S | * | * | | | trans | -86.8 | 91.5 | 161.2 | -73.5 | 169.9 | 0 | 0 | 0 | 108 | G16 | L14-G16 PolarHBondContact O-N 3.31Š|
| 15 | T | 40.8 | Very low | 39.3 | Very low | 138 Ų | 138 | 129.2 Ų | 129.2 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | | | trans | -43.7 | 128.1 | 162.1 | 43.1 | 0 | 0 | 0 | 0 | 111.4 | P13 | P13-T15 PolarHBondContact O-N 2.9Š|
| 16 | G | 35.6 | Very low | 39.4 | Very low | 77 Ų | 77 | 128.3 Ų | 128.3 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | | | trans | -173 | 72.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L14 | L14-G16 PolarHBondContact O-N 3.31Š|
| 17 | N | 37.3 | Very low | 39.5 | Very low | 139 Ų | 139 | 130.9 Ų | 130.9 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | | | trans | -79 | 130.4 | -171.9 | -169.3 | 16 | 0 | 0 | 0 | 112.1 | | |
| 18 | H | 43.4 | Very low | 39.6 | Very low | 171 Ų | 171 | 133.5 Ų | 133.5 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | | | trans | -151.2 | 108.1 | 150.9 | -75.8 | -71.6 | 0 | 0 | 0 | 111.1 | | |
| 19 | A | 40.6 | Very low | 39.4 | Very low | 91 Ų | 91 | 125.8 Ų | 125.8 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | | | trans | -46.6 | 151.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 20 | G | 36 | Very low | 39.4 | Very low | 71 Ų | 71 | 131.5 Ų | 131.5 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | | | | 98.6 | 114.6 | 50.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 21 | H | 36.8 | Very low | 39.3 | Very low | 144 Ų | 144 | 131.1 Ų | 131.1 | 67% | 0.667 | 76% | 0.758 | S | S | * | * | | | trans | -158.5 | 85.4 | 165.8 | -138.2 | -74.5 | 0 | 0 | 0 | 110.7 | M23 | H21-M23 VanDerWaalsContact CE1-CE 3.49Å; H21-M23 WeakPolarHBondContact CE1-CE 3.49Å |
| 22 | I | 42.7 | Very low | 39.3 | Very low | 164 Ų | 164 | 130.9 Ų | 130.9 | 84% | 0.841 | 75% | 0.754 | S | S | * | * | | | trans | -125.6 | 115.5 | 154.2 | -60.1 | 179 | 0 | 0 | 0 | 105.4 | D24 | I22-D24 PolarHBondContact O-N 3.12Š|
| 23 | M | 44.3 | Very low | 39.1 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 46% | 0.463 | 75% | 0.753 | S | S | . | * | | | trans | -92.3 | 96.2 | -174.4 | -165.4 | -173.8 | -61.6 | 0 | 0 | 107.9 | H21 I25 M32 | H21-M23 VanDerWaalsContact CE1-CE 3.49Å; H21-M23 WeakPolarHBondContact CE1-CE 3.49Å; M23-I25 PolarHBondContact O-N 3.31Å; M23-M32 HydrophobicContact CG-CE 3.76Å; M23-M32 HydrophobicContact CG-SD 4.33Å |
| 24 | D | 42.3 | Very low | 38.8 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | | | trans | -76.5 | 109.5 | 165.7 | -94.8 | -29 | 0 | 0 | 0 | 108.9 | I22 S26 | I22-D24 PolarHBondContact O-N 3.12Å; D24-S26 VanDerWaalsContact C-N 3.29Å; D24-S26 PolarHBondContact O-N 2.93Å; D24-S26 VanDerWaalsContact O-N 3.07Å |
| 25 | I | 38 | Very low | 38.3 | Very low | 161 Ų | 161 | 128.2 Ų | 128.2 | 83% | 0.826 | 74% | 0.738 | S | S | * | * | | | trans | -80 | 83.3 | 171.1 | -57.9 | 171.2 | 0 | 0 | 0 | 106.9 | M23 | M23-I25 PolarHBondContact O-N 3.31Š|
| 26 | S | 39.9 | Very low | 38 | Very low | 96 Ų | 96 | 130.8 Ų | 130.8 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | | | trans | -109.8 | 110.4 | 162.5 | 177.1 | 0 | 0 | 0 | 0 | 107.4 | D24 H28 | D24-S26 VanDerWaalsContact C-N 3.29Å; D24-S26 PolarHBondContact O-N 2.93Å; D24-S26 VanDerWaalsContact O-N 3.07Å; S26-H28 PolarHBondContact O-N 3.05Å |
| 27 | T | 38.7 | Very low | 37.9 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -24.8 | 117.1 | 160.7 | 43.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 28 | H | 38.9 | Very low | 37.8 | Very low | 186 Ų | 186 | 129.3 Ų | 129.3 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 158.6 | 67.1 | 151.1 | -82.8 | 94 | 0 | 0 | 0 | 108.5 | S26 | S26-H28 PolarHBondContact O-N 3.05Š|
| 29 | G | 32.8 | Very low | 37.4 | Very low | 70 Ų | 70 | 124.9 Ų | 124.9 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | | | trans | 71.1 | 160.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 30 | Q | 37.1 | Very low | 37.1 | Very low | 183 Ų | 183 | 123.6 Ų | 123.6 | 86% | 0.855 | 73% | 0.732 | S | S | * | * | | | trans | 80.9 | 87.5 | 171.3 | -46.6 | -173.9 | 7.5 | 0 | 0 | 114.1 | | |
| 31 | H | 31.9 | Very low | 37 | Very low | 171 Ų | 171 | 132.6 Ų | 132.6 | 79% | 0.792 | 74% | 0.744 | S | S | * | * | | | | 65.4 | 67.9 | 84.4 | -157.8 | -83.3 | 0 | 0 | 0 | 112.6 | | |
| 32 | M | 37 | Very low | 36.9 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 64% | 0.64 | 75% | 0.745 | S | S | * | * | | | trans | -116.2 | 79.9 | 159.2 | -80 | -171.2 | -92.9 | 0 | 0 | 108.4 | M23 | M23-M32 HydrophobicContact CG-CE 3.76Å; M23-M32 HydrophobicContact CG-SD 4.33Å |
| 33 | T | 37.7 | Very low | 36.6 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 69% | 0.693 | 75% | 0.745 | S | S | * | * | | | trans | -89.9 | 113.7 | 159.2 | -30.2 | 0 | 0 | 0 | 0 | 106.7 | | |
| 34 | D | 35.7 | Very low | 36.4 | Very low | 133 Ų | 133 | 132 Ų | 132 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | | | trans | 13.8 | 114.6 | 160.6 | -85.6 | -50.6 | 0 | 0 | 0 | 120.2 | F36 | D34-F36 PolarHBondContact O-N 3.39Š|
| 35 | T | 36.6 | Very low | 36.3 | Very low | 97 Ų | 97 | 134 Ų | 134 | 60% | 0.595 | 76% | 0.762 | S | S | * | * | | | | 57.6 | 54.1 | 111 | -40.8 | 0 | 0 | 0 | 0 | 117.4 | | |
| 36 | F | 35 | Very low | 36.4 | Very low | 192 Ų | 192 | 136.4 Ų | 136.4 | 84% | 0.842 | 76% | 0.76 | S | S | * | * | | | trans | -146.8 | 77.5 | 152.3 | -80.5 | -71.1 | 0 | 0 | 0 | 111.7 | D34 | D34-F36 PolarHBondContact O-N 3.39Š|
| 37 | G | 33.7 | Very low | 36.6 | Very low | 72 Ų | 72 | 137.6 Ų | 137.6 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -88 | 109.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 38 | C | 34 | Very low | 36.8 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 49.9 | 75.6 | 162.1 | 65 | 0 | 0 | 0 | 0 | 118.4 | | |
| 39 | G | 34.9 | Very low | 36.7 | Very low | 78 Ų | 78 | 136.2 Ų | 136.2 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | trans | 179.5 | 39.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 40 | G | 34.4 | Very low | 36.8 | Very low | 63 Ų | 63 | 141 Ų | 141 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | | | trans | -146.9 | 93.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 41 | R | 35.4 | Very low | 37 | Very low | 260 Ų | 260 | 137.5 Ų | 137.5 | 98% | 0.981 | 77% | 0.766 | S | S | * | * | | | trans | -63.2 | 137.3 | 154.1 | -67.2 | 179.6 | 175.2 | -171.2 | -1.6 | 108 | | |
| 42 | G | 34.6 | Very low | 37.1 | Very low | 66 Ų | 66 | 137 Ų | 137 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | | | trans | 113.8 | 84.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 43 | H | 35.1 | Very low | 37 | Very low | 185 Ų | 185 | 135.2 Ų | 135.2 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | | 42.2 | 100.1 | 94.9 | -102 | -76.8 | 0 | 0 | 0 | 113 | | |
| 44 | I | 39.8 | Very low | 36.8 | Very low | 138 Ų | 138 | 137.8 Ų | 137.8 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | | | | -179.6 | 100.1 | 112.8 | -82.1 | 149.4 | 0 | 0 | 0 | 107.2 | R46 | I44-R46 HydrophobicContact CG2-CG 3.83Å; I44-R46 PolarHBondContact O-N 3.48Å |
| 45 | Q | 40.9 | Very low | 36.7 | Very low | 191 Ų | 191 | 134.3 Ų | 134.3 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | | | trans | -68.3 | 112 | 163.3 | -178.1 | 178 | 18.3 | 0 | 0 | 107.4 | | |
| 46 | R | 39.4 | Very low | 36.7 | Very low | 211 Ų | 211 | 136.9 Ų | 136.9 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | | | trans | -107.9 | 123.2 | 163 | -80.1 | -178.4 | 167.9 | -147.4 | -3.1 | 107.9 | I44 | I44-R46 HydrophobicContact CG2-CG 3.83Å; I44-R46 PolarHBondContact O-N 3.48Å |
| 47 | P | 45.2 | Very low | 36.6 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | | | trans | -75.8 | 130.2 | -173.5 | 30 | -31.9 | 0 | 0 | 0 | 110 | G49 | P47-G49 PolarHBondContact O-N 3.21Š|
| 48 | F | 42.8 | Very low | 36.6 | Very low | 211 Ų | 211 | 137.8 Ų | 137.8 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | | | trans | -68.7 | 124.2 | 159.8 | -74.9 | -87.7 | 0 | 0 | 0 | 108.9 | | |
| 49 | G | 36.8 | Very low | 36.8 | Very low | 62 Ų | 62 | 141 Ų | 141 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | | | trans | 96.4 | 92.7 | 139.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | P47 | P47-G49 PolarHBondContact O-N 3.21Š|
| 50 | I | 35.5 | Very low | 36.8 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | | | trans | 58.3 | 152.8 | 133.9 | -3.6 | 179.5 | 0 | 0 | 0 | 117.3 | | |
| 51 | P | 40.7 | Very low | 37 | Very low | 109 Ų | 109 | 147 Ų | 147 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | | | cis | -144.5 | 171.2 | 13.9 | 41.5 | -20.5 | 0 | 0 | 0 | 118.5 | | |
| 52 | N | 33.6 | Very low | 37.2 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | | | trans | 41.8 | 98.6 | 150.9 | -93.4 | -12.1 | 0 | 0 | 0 | 119.2 | | |
| 53 | A | 36.2 | Very low | 37.5 | Very low | 92 Ų | 92 | 143.5 Ų | 143.5 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | | | trans | -143.1 | 97.1 | 143.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 54 | I | 33.2 | Very low | 37.8 | Very low | 168 Ų | 168 | 143.8 Ų | 143.8 | 86% | 0.862 | 80% | 0.795 | S | S | * | * | | | | 53.9 | 110.6 | 105.8 | -58.9 | 169.4 | 0 | 0 | 0 | 111.3 | | |
| 55 | G | 32.8 | Very low | 37.9 | Very low | 59 Ų | 59 | 142.7 Ų | 142.7 | 61% | 0.608 | 80% | 0.796 | S | S | * | * | | | trans | 96.1 | 82.1 | 151.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 56 | N | 36.3 | Very low | 37.5 | Very low | 152 Ų | 152 | 139.3 Ų | 139.3 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | | | | 168.6 | 86.8 | 106.2 | -85.2 | -24.1 | 0 | 0 | 0 | 109.9 | M58 | N56-M58 PolarHBondContact O-N 2.91Š|
| 57 | T | 32.6 | Very low | 37.5 | Very low | 133 Ų | 133 | 133 Ų | 133 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | | | trans | -51.3 | 118.1 | 139.9 | -9.2 | 0 | 0 | 0 | 0 | 107.2 | | |
| 58 | M | 34.7 | Very low | 37 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | | | trans | 166.3 | 135 | 143.3 | -92.2 | 173.4 | -65.3 | 0 | 0 | 109.9 | N56 | N56-M58 PolarHBondContact O-N 2.91Š|
| 59 | M | 38.4 | Very low | 37 | Very low | 181 Ų | 181 | 131.9 Ų | 131.9 | 89% | 0.892 | 79% | 0.792 | S | S | * | * | | | trans | 73.1 | 97.8 | 166.2 | -61.4 | 174.4 | -105.5 | 0 | 0 | 113.8 | | |
| 60 | G | 35.3 | Very low | 37.5 | Very low | 71 Ų | 71 | 134.4 Ų | 134.4 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | | | cis | 112.7 | 146.4 | 40.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 61 | M | 38.4 | Very low | 37.7 | Very low | 198 Ų | 198 | 129.3 Ų | 129.3 | 98% | 0.975 | 79% | 0.787 | S | S | * | * | | | trans | 91.6 | 70.2 | 173.2 | -50.8 | 174.7 | 116.2 | 0 | 0 | 116.9 | | |
| 62 | N | 38.4 | Very low | 37.7 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | | | | -90 | 154.3 | 122.2 | -156.2 | 21.1 | 0 | 0 | 0 | 105.6 | | |
| 63 | P | 40.9 | Very low | 38.3 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | | | cis | -142.8 | 179.7 | 18.9 | 34.6 | -9.1 | 0 | 0 | 0 | 117 | | |
| 64 | F | 42.6 | Very low | 38.3 | Very low | 192 Ų | 192 | 136 Ų | 136 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | | | trans | -43.9 | 153.5 | 179.1 | -61.3 | -90.7 | 0 | 0 | 0 | 116.5 | | |
| 65 | P | 41.3 | Very low | 38.4 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | | | | -154.6 | 154.7 | 99.8 | 38.5 | -19.4 | 0 | 0 | 0 | 117.2 | | |
| 66 | S | 31.9 | Very low | 38.6 | Very low | 120 Ų | 120 | 133 Ų | 133 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | | | trans | 31.8 | 127.6 | 144.3 | 68.2 | 0 | 0 | 0 | 0 | 122.2 | | |
| 67 | G | 39.5 | Very low | 38.7 | Very low | 79 Ų | 79 | 129.6 Ų | 129.6 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | | | trans | 163.8 | 106.7 | 153.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 68 | G | 35.9 | Very low | 38.9 | Very low | 70 Ų | 70 | 128.7 Ų | 128.7 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | | | cis | 104.2 | 94.7 | 40.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 69 | Y | 41.9 | Very low | 39 | Very low | 238 Ų | 238 | 125.3 Ų | 125.3 | 93% | 0.933 | 82% | 0.82 | S | S | * | * | | | trans | -123 | 121 | 151.7 | -90.1 | -78.4 | 0 | 0 | 0 | 108.1 | | |
| 70 | P | 47.2 | Very low | 39 | Very low | 116 Ų | 116 | 119.9 Ų | 119.9 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | | | trans | -97.3 | 146.5 | -167.8 | 36.1 | -32.8 | 0 | 0 | 0 | 113.4 | | |
| 71 | G | 40.1 | Very low | 39.1 | Very low | 63 Ų | 63 | 125.5 Ų | 125.5 | 65% | 0.649 | 82% | 0.818 | S | S | * | * | | | trans | 70.3 | 161.8 | 134.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 72 | F | 40.5 | Very low | 38.9 | Very low | 189 Ų | 189 | 118.9 Ų | 118.9 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | | | cis | -175.2 | 171.7 | -16.5 | -103.1 | -73 | 0 | 0 | 0 | 103.9 | | |
| 73 | Y | 45.2 | Very low | 39.2 | Very low | 227 Ų | 227 | 122.3 Ų | 122.3 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | | | trans | 81.4 | 104.3 | 175.5 | -53.4 | -84 | 0 | 0 | 0 | 113.7 | | |
| 74 | G | 36.8 | Very low | 39 | Very low | 86 Ų | 86 | 125.2 Ų | 125.2 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | | | | 94.4 | 133.5 | 61.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 75 | G | 36.7 | Very low | 39.1 | Very low | 76 Ų | 76 | 126.2 Ų | 126.2 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | | | cis | 175 | 172.9 | 2.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 76 | G | 36.9 | Very low | 39 | Very low | 89 Ų | 89 | 127.1 Ų | 127.1 | 92% | 0.918 | 82% | 0.815 | S | S | * | * | | | trans | 89.2 | 131.4 | 151 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 77 | G | 37.3 | Very low | 39.1 | Very low | 80 Ų | 80 | 124.2 Ų | 124.2 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | 143.2 | 51.6 | 150 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 78 | A | 36.7 | Very low | 39.2 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 93% | 0.934 | 81% | 0.807 | S | S | * | * | | | trans | -73.4 | 137.2 | 153.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 79 | G | 36.8 | Very low | 39.3 | Very low | 78 Ų | 78 | 135.2 Ų | 135.2 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | 168 | 108.1 | 169 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 80 | G | 38.2 | Very low | 38.9 | Very low | 67 Ų | 67 | 127.2 Ų | 127.2 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | | | trans | 79.4 | 153.3 | 136.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 81 | H | 37.5 | Very low | 38.5 | Very low | 190 Ų | 190 | 127.8 Ų | 127.8 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | | | cis | -175.4 | 149.2 | -6.9 | -97.9 | -68.8 | 0 | 0 | 0 | 107.3 | | |
| 82 | G | 33.8 | Very low | 38.2 | Very low | 58 Ų | 58 | 128.2 Ų | 128.2 | 60% | 0.598 | 82% | 0.815 | S | S | * | * | | | trans | 85 | 139.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 83 | Y | 45.3 | Very low | 38 | Very low | 215 Ų | 215 | 124.3 Ų | 124.3 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | | | cis | -155.3 | 149.7 | 19.2 | -64.7 | -90.5 | 0 | 0 | 0 | 110.4 | | |
| 84 | H | 36.4 | Very low | 37.4 | Very low | 170 Ų | 170 | 122.2 Ų | 122.2 | 79% | 0.787 | 82% | 0.815 | S | S | * | * | | | trans | -64.3 | 139.9 | 174.7 | -78.3 | -134.7 | 0 | 0 | 0 | 112.5 | | |
| 85 | F | 44.8 | Very low | 37.6 | Very low | 212 Ų | 212 | 122 Ų | 122 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | | | trans | -134.5 | 121.4 | 142.2 | -78.1 | -77.1 | 0 | 0 | 0 | 110.7 | | |
| 86 | T | 39.8 | Very low | 37.8 | Very low | 133 Ų | 133 | 128.1 Ų | 128.1 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | | | trans | -78.7 | 141.6 | -174.6 | -46 | 0 | 0 | 0 | 0 | 111.4 | | |
| 87 | G | 34 | Very low | 37.7 | Very low | 59 Ų | 59 | 129.8 Ų | 129.8 | 61% | 0.608 | 80% | 0.797 | S | S | * | * | | | trans | 98 | 108.4 | 147.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 88 | N | 40.7 | Very low | 37.6 | Very low | 162 Ų | 162 | 129.8 Ų | 129.8 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | | | | -157.2 | 144.4 | 99.4 | -130.5 | 4.8 | 0 | 0 | 0 | 112 | | |
| 89 | Y | 38.1 | Very low | 37.6 | Very low | 219 Ų | 219 | 129.1 Ų | 129.1 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | | | trans | -76.5 | 151.9 | -171 | -63.8 | -100.6 | 0 | 0 | 0 | 112.4 | | |
| 90 | G | 33.4 | Very low | 37.7 | Very low | 70 Ų | 70 | 133.4 Ų | 133.4 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | | | trans | 152.9 | 78.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 91 | S | 39.4 | Very low | 37.6 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | | | trans | 16.4 | 131.5 | 143.6 | 59.1 | 0 | 0 | 0 | 0 | 118.5 | | |
| 92 | G | 33.5 | Very low | 37.8 | Very low | 72 Ų | 72 | 135.4 Ų | 135.4 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | | | cis | 167.1 | 165 | 12.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 93 | A | 36.6 | Very low | 38.1 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 88% | 0.884 | 80% | 0.798 | S | S | * | * | | | trans | 75.9 | 84 | 171.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 94 | E | 33.6 | Very low | 37.6 | Very low | 182 Ų | 182 | 130.1 Ų | 130.1 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | | | trans | -79.1 | -171.9 | 139.5 | -47 | -161.7 | 157.1 | 0 | 0 | 109.5 | | |
| 95 | P | 40.2 | Very low | 37.8 | Very low | 83 Ų | 83 | 128.1 Ų | 128.1 | 54% | 0.539 | 78% | 0.778 | S | S | . | * | | | cis | -137.3 | 146.9 | -11.2 | 33.6 | -15.6 | 0 | 0 | 0 | 113.6 | | |
| 96 | F | 41.4 | Very low | 37.6 | Very low | 203 Ų | 203 | 127.6 Ų | 127.6 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | | | trans | -153.1 | 89.4 | 146.2 | -85.7 | -65.6 | 0 | 0 | 0 | 111.5 | | |
| 97 | T | 35.4 | Very low | 37.4 | Very low | 125 Ų | 125 | 124.3 Ų | 124.3 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | | | | 23.2 | 122.5 | 129.1 | 58.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 98 | G | 34.4 | Very low | 37.6 | Very low | 79 Ų | 79 | 126.8 Ų | 126.8 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | | | trans | 116.3 | 137.3 | 137.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 99 | S | 35.5 | Very low | 37.3 | Very low | 100 Ų | 100 | 122.9 Ų | 122.9 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | | | cis | -167.4 | 146.6 | -5.4 | 170.8 | 0 | 0 | 0 | 0 | 105.3 | | |
| 100 | H | 39.5 | Very low | 37.3 | Very low | 167 Ų | 167 | 120.2 Ų | 120.2 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | trans | -67.6 | 137.5 | -166.8 | -2.5 | -73.1 | 0 | 0 | 0 | 111.8 | N102 | H100-N102 PolarHBondContact O-N 3.45Š|
| 101 | T | 36.4 | Very low | 37.5 | Very low | 137 Ų | 137 | 120.4 Ų | 120.4 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | | | trans | -57.3 | 101.3 | 168.3 | 5.4 | 0 | 0 | 0 | 0 | 109.9 | V103 | T101-V103 PolarHBondContact O-N 3.49Š|
| 102 | N | 42.1 | Very low | 37.4 | Very low | 162 Ų | 162 | 119.6 Ų | 119.6 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | | | trans | -92.6 | 93.9 | 169.8 | -148.4 | 9.5 | 0 | 0 | 0 | 108.5 | H100 G104 | H100-N102 PolarHBondContact O-N 3.45Å; N102-G104 PolarHBondContact O-N 3.36Å; N102-G104 VanDerWaalsContact O-N 3.15Å |
| 103 | V | 38.9 | Very low | 37.4 | Very low | 126 Ų | 126 | 125.5 Ų | 125.5 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | | | trans | -79.9 | 88.3 | 176 | -176.3 | 0 | 0 | 0 | 0 | 107.9 | T101 | T101-V103 PolarHBondContact O-N 3.49Š|
| 104 | G | 34.6 | Very low | 37.4 | Very low | 36 Ų | 36 | 124.8 Ų | 124.8 | 37% | 0.371 | 77% | 0.769 | S | S | . | * | | | trans | -80.3 | 161.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N102 F106 G107 | N102-G104 PolarHBondContact O-N 3.36Å; N102-G104 VanDerWaalsContact O-N 3.15Å; G104-F106 PolarHBondContact O-N 3.2Å; G104-G107 PolarHBondContact O-N 3.38Å |
| 105 | P | 41.9 | Very low | 37.2 | Very low | 128 Ų | 128 | 121.3 Ų | 121.3 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -68.7 | 3.2 | -171.2 | 28.1 | -34.6 | 0 | 0 | 0 | 115.1 | | |
| 106 | F | 40.2 | Very low | 37.1 | Very low | 201 Ų | 201 | 124.5 Ų | 124.5 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -129.8 | 64.6 | 173.9 | -59.5 | -79 | 0 | 0 | 0 | 109.1 | G104 | G104-F106 PolarHBondContact O-N 3.2Š|
| 107 | G | 35.1 | Very low | 36.6 | Very low | 64 Ų | 64 | 120.8 Ų | 120.8 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | | | trans | -113.8 | 67.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G104 G109 | G104-G107 PolarHBondContact O-N 3.38Å; G107-G109 PolarHBondContact O-N 3.07Å |
| 108 | S | 39.3 | Very low | 36.9 | Very low | 111 Ų | 111 | 120.6 Ų | 120.6 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | trans | -69.1 | 108.2 | 167.2 | 40.2 | 0 | 0 | 0 | 0 | 109.3 | I110 | S108-I110 PolarHBondContact O-N 3.46Š|
| 109 | G | 33.8 | Very low | 37 | Very low | 80 Ų | 80 | 126.4 Ų | 126.4 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | trans | -58.9 | 115.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G107 | G107-G109 PolarHBondContact O-N 3.07Š|
| 110 | I | 38.7 | Very low | 36.8 | Very low | 164 Ų | 164 | 124.6 Ų | 124.6 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | | | trans | -108.8 | 105.6 | 161.6 | 26 | 174 | 0 | 0 | 0 | 105.9 | S108 S112 | S108-I110 PolarHBondContact O-N 3.46Å; I110-S112 PolarHBondContact O-N 3.32Å |
| 111 | G | 36.7 | Very low | 36.7 | Very low | 74 Ų | 74 | 121.3 Ų | 121.3 | 76% | 0.763 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 125 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 112 | S | 38.7 | Very low | 36.7 | Very low | 111 Ų | 111 | 125.1 Ų | 125.1 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 131.6 | 176 | -62.3 | 0 | 0 | 0 | 0 | 112.1 | I110 | I110-S112 PolarHBondContact O-N 3.32Š|
| 113 | F | 31.6 | Very low | 36.5 | Very low | 195 Ų | 195 | 121 Ų | 121 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 117.4 | 164.6 | 18.7 | -88.1 | 0 | 0 | 0 | 109.2 | | |
| 114 | A | 38.4 | Very low | 36.8 | Very low | 92 Ų | 92 | 121.2 Ų | 121.2 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | | | trans | -127.8 | 99.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 115 | S | 29 | Very low | 36.7 | Very low | 110 Ų | 110 | 125.3 Ų | 125.3 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | -87 | 106.1 | 172.9 | 48.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 116 | D | 38.1 | Very low | 36.6 | Very low | 149 Ų | 149 | 130.4 Ų | 130.4 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | | | trans | -125.8 | 105.2 | 167.4 | -75.5 | -41.1 | 0 | 0 | 0 | 109 | P118 | D116-P118 WeakPolarHBondContact O-CD 3.45Š|
| 117 | V | 30.9 | Very low | 36.4 | Very low | 125 Ų | 125 | 123.8 Ų | 123.8 | 76% | 0.758 | 78% | 0.778 | S | S | * | * | | | trans | -94.8 | 112.4 | 168.4 | 178 | 0 | 0 | 0 | 0 | 107.2 | | |
| 118 | P | 41.2 | Very low | 36.3 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | | | trans | -92.7 | 112.2 | 164.1 | 20 | -4.7 | 0 | 0 | 0 | 109.2 | D116 | D116-P118 WeakPolarHBondContact O-CD 3.45Š|
| 119 | F | 36.5 | Very low | 36.4 | Very low | 202 Ų | 202 | 126.1 Ų | 126.1 | 89% | 0.886 | 79% | 0.785 | S | S | * | * | | | trans | -56.2 | 140.7 | 164.8 | -89.7 | -100.6 | 0 | 0 | 0 | 111.2 | | |
| 120 | G | 31.9 | Very low | 36.5 | Very low | 62 Ų | 62 | 127.9 Ų | 127.9 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | | | trans | 91.2 | 114.9 | 136.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 121 | S | 36.2 | Very low | 36.6 | Very low | 97 Ų | 97 | 125.2 Ų | 125.2 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | | | | 105.9 | 133.6 | 121.6 | 77.1 | 0 | 0 | 0 | 0 | 119.5 | | |
| 122 | Y | 37.8 | Very low | 36.8 | Very low | 218 Ų | 218 | 132 Ų | 132 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | | | trans | 75.9 | 102.9 | 162.2 | -52.4 | -73.9 | 0 | 0 | 0 | 118.7 | | |
| 123 | G | 36.5 | Very low | 36.7 | Very low | 74 Ų | 74 | 130.5 Ų | 130.5 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | | | trans | -83 | -175.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 124 | P | 45.5 | Very low | 37 | Very low | 132 Ų | 132 | 124.8 Ų | 124.8 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | | | trans | -123.8 | 138.4 | 148.9 | 32.5 | -19.4 | 0 | 0 | 0 | 113.1 | | |
| 125 | V | 32.3 | Very low | 37 | Very low | 122 Ų | 122 | 126.2 Ų | 126.2 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | | | trans | -59.7 | 146.8 | 169.6 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 126 | Y | 40.5 | Very low | 37.3 | Very low | 235 Ų | 235 | 126.1 Ų | 126.1 | 92% | 0.922 | 79% | 0.786 | S | S | * | * | | | | -165 | 110.7 | 128.1 | -96.2 | -70.1 | 0 | 0 | 0 | 110.6 | | |
| 127 | G | 34.9 | Very low | 37.4 | Very low | 62 Ų | 62 | 130.2 Ų | 130.2 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | | | trans | -66.5 | 170.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 128 | S | 34.8 | Very low | 37.6 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | | | | 177.4 | 167.5 | 61.6 | 49.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 129 | S | 40.6 | Very low | 37.3 | Very low | 108 Ų | 108 | 125.5 Ų | 125.5 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | trans | 81.1 | 91.3 | 164.9 | 71.3 | 0 | 0 | 0 | 0 | 119 | | |
| 130 | S | 36.7 | Very low | 37.7 | Very low | 117 Ų | 117 | 121.6 Ų | 121.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | | -174.2 | 123 | 101.6 | -80.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 131 | P | 40.7 | Very low | 38.1 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | trans | -89.8 | 123.9 | 175.2 | 35.3 | -28 | 0 | 0 | 0 | 109.3 | | |
| 132 | F | 40.3 | Very low | 38.3 | Very low | 215 Ų | 215 | 125.6 Ų | 125.6 | 94% | 0.943 | 79% | 0.794 | S | S | * | * | S | Bend | trans | 67.9 | 107.2 | 170.2 | -53.8 | -79.8 | 0 | 0 | 0 | 117.4 | | |
| 133 | G | 36.8 | Very low | 38.2 | Very low | 81 Ų | 81 | 124.3 Ų | 124.3 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | -176 | 4.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 134 | G | 36.8 | Very low | 38.2 | Very low | 74 Ų | 74 | 124.1 Ų | 124.1 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | | | trans | 60.5 | 175.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 135 | P | 40.2 | Very low | 37.7 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | | | cis | -104.8 | 153 | -18.7 | 36.6 | -24.5 | 0 | 0 | 0 | 112.6 | | |
| 136 | S | 35.3 | Very low | 38 | Very low | 108 Ų | 108 | 124.3 Ų | 124.3 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | -73.6 | 121.3 | 174.3 | -162.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 137 | Y | 38.5 | Very low | 38 | Very low | 234 Ų | 234 | 122.4 Ų | 122.4 | 92% | 0.918 | 77% | 0.772 | S | S | * | * | | | trans | -131.5 | 99.6 | 140.1 | -85.3 | -80.3 | 0 | 0 | 0 | 106.6 | | |
| 138 | G | 36.3 | Very low | 38 | Very low | 73 Ų | 73 | 127.3 Ų | 127.3 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | trans | -69.3 | 164.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 139 | G | 35.1 | Very low | 38.2 | Very low | 75 Ų | 75 | 127.2 Ų | 127.2 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | trans | 97.8 | 47.4 | 150.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | N141 | G139-N141 PolarHBondContact O-N 3.32Š|
| 140 | S | 43.5 | Very low | 37.8 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | | | trans | -59.3 | 102.4 | 155.4 | 50.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 141 | N | 40.5 | Very low | 37.6 | Very low | 131 Ų | 131 | 125.1 Ų | 125.1 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | | | trans | -56.1 | 130.3 | 162.7 | -157.1 | 7.5 | 0 | 0 | 0 | 108.4 | G139 F143 | G139-N141 PolarHBondContact O-N 3.32Å; N141-F143 PolarHBondContact O-N 3.48Å |
| 142 | P | 40.3 | Very low | 37.3 | Very low | 112 Ų | 112 | 128 Ų | 128 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -82.2 | 51.1 | -172.7 | 34.7 | -36.4 | 0 | 0 | 0 | 112.7 | | |
| 143 | F | 37 | Very low | 37.3 | Very low | 191 Ų | 191 | 127.3 Ų | 127.3 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | | | trans | -124.1 | 64.7 | 162.8 | -71.2 | -74.3 | 0 | 0 | 0 | 109.3 | N141 | N141-F143 PolarHBondContact O-N 3.48Š|
| 144 | G | 34.7 | Very low | 37 | Very low | 70 Ų | 70 | 130 Ų | 130 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | | | trans | -82.1 | 116.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 145 | K | 36.7 | Very low | 36.7 | Very low | 195 Ų | 195 | 131 Ų | 131 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | | | trans | 178.7 | 129 | 141.6 | -71.5 | -142 | -174.1 | -178.4 | 0 | 102.7 | | |
| 146 | A | 37.4 | Very low | 36.4 | Very low | 63 Ų | 63 | 134.7 Ų | 134.7 | 52% | 0.521 | 76% | 0.755 | S | S | . | * | | | cis | 171.6 | 137.6 | 24.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 147 | Y | 40 | Very low | 36.1 | Very low | 194 Ų | 194 | 133 Ų | 133 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | | | trans | 72.3 | 116.7 | 144.2 | -49.2 | -51.5 | 0 | 0 | 0 | 117.6 | | |
| 148 | H | 35.9 | Very low | 36 | Very low | 165 Ų | 165 | 127.6 Ų | 127.6 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | | | | 58.9 | 131.6 | 102 | -78.9 | -108.2 | 0 | 0 | 0 | 111.7 | | |
| 149 | D | 37.9 | Very low | 36.1 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 62% | 0.615 | 75% | 0.753 | S | S | * | * | | | cis | -170.8 | 155.9 | 30.9 | -141.7 | -49.9 | 0 | 0 | 0 | 106.2 | | |
| 150 | T | 33.6 | Very low | 36.6 | Very low | 117 Ų | 117 | 135 Ų | 135 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | | | trans | 15.6 | 119.6 | 150.5 | 48.9 | 0 | 0 | 0 | 0 | 118.1 | | |
| 151 | G | 31.2 | Very low | 36.8 | Very low | 64 Ų | 64 | 137.6 Ų | 137.6 | 66% | 0.66 | 76% | 0.758 | S | S | * | * | | | | 78.5 | 107.2 | 83.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 152 | L | 34.6 | Very low | 36.6 | Very low | 168 Ų | 168 | 134.9 Ų | 134.9 | 88% | 0.88 | 76% | 0.761 | S | S | * | * | | | trans | 52 | 98 | 150.2 | -59.8 | 165.2 | 0 | 0 | 0 | 116.7 | | |
| 153 | K | 41.1 | Very low | 36.4 | Very low | 200 Ų | 200 | 137.3 Ų | 137.3 | 87% | 0.87 | 77% | 0.767 | S | S | * | * | | | | 173.8 | 104.4 | 129.8 | -90.5 | 148.9 | -167.1 | -178.1 | 0 | 108.6 | | |
| 154 | N | 31.2 | Very low | 36.6 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | | | | 81.1 | 121 | 92.5 | -143.6 | 15.3 | 0 | 0 | 0 | 112.2 | | |
| 155 | T | 29.9 | Very low | 36.8 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 58% | 0.583 | 78% | 0.776 | S | S | * | * | | | trans | 75.3 | 117 | 144.4 | 26 | 0 | 0 | 0 | 0 | 120.8 | | |
| 156 | F | 33 | Very low | 36.9 | Very low | 200 Ų | 200 | 138.8 Ų | 138.8 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | | | trans | 75 | 102.5 | 152.2 | -59.1 | -68.5 | 0 | 0 | 0 | 119.3 | | |
| 157 | G | 30.7 | Very low | 37 | Very low | 72 Ų | 72 | 140.3 Ų | 140.3 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | | | | 84.6 | 96.1 | 119.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 158 | S | 36.4 | Very low | 36.9 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | | | | -169.2 | 111.9 | 127.7 | 17.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 159 | N | 36.7 | Very low | 37.2 | Very low | 150 Ų | 150 | 138 Ų | 138 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | | | trans | -49.2 | 156.4 | 166.8 | -62.8 | -45.2 | 0 | 0 | 0 | 111.7 | | |
| 160 | I | 46.4 | Very low | 37.4 | Very low | 153 Ų | 153 | 137 Ų | 137 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | | 175.8 | 122.6 | 122.8 | -87.1 | 153.6 | 0 | 0 | 0 | 110.5 | | |
| 161 | L | 47.5 | Very low | 37.6 | Very low | 175 Ų | 175 | 136.2 Ų | 136.2 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | | | trans | 64.1 | 125.4 | 163 | -95.2 | 71.2 | 0 | 0 | 0 | 117.6 | | |
| 162 | G | 36.5 | Very low | 38.3 | Very low | 75 Ų | 75 | 140.1 Ų | 140.1 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | | | cis | 146.8 | 85.4 | 19.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 163 | L | 35.8 | Very low | 38.8 | Very low | 163 Ų | 163 | 139 Ų | 139 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | trans | -76.1 | 139.1 | 169.7 | -69.2 | 159.7 | 0 | 0 | 0 | 109.1 | | |
| 164 | N | 41.6 | Very low | 38.8 | Very low | 154 Ų | 154 | 136.6 Ų | 136.6 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | | | | 174.6 | 106.3 | 119.5 | -82.2 | -22.1 | 0 | 0 | 0 | 110 | | |
| 165 | N | 38 | Very low | 39.2 | Very low | 172 Ų | 172 | 137.7 Ų | 137.7 | 92% | 0.92 | 79% | 0.793 | S | S | * | * | | | trans | -84.6 | 116.6 | 159.4 | -76.8 | -36.9 | 0 | 0 | 0 | 107.1 | | |
| 166 | D | 38.9 | Very low | 39.8 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | | | trans | -97.4 | 132.4 | 176.6 | -119.7 | -23.9 | 0 | 0 | 0 | 111.5 | | |
| 167 | P | 39.6 | Very low | 40.5 | Very low | 96 Ų | 96 | 137.8 Ų | 137.8 | 62% | 0.623 | 79% | 0.794 | S | S | * | * | | | trans | -96.9 | 104.7 | -169.8 | 35.2 | -29.7 | 0 | 0 | 0 | 112.6 | F169 | P167-F169 PolarHBondContact O-N 3.39Š|
| 168 | A | 38.6 | Very low | 41 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 36.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 169 | F | 42 | Very low | 41.6 | Very low | 201 Ų | 201 | 143.1 Ų | 143.1 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.8 | 12.9 | -164.9 | -112.9 | -85.3 | 0 | 0 | 0 | 116 | P167 | P167-F169 PolarHBondContact O-N 3.39Š|
| 170 | A | 41.4 | Very low | 42 | Very low | 96 Ų | 96 | 147 Ų | 147 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | | | trans | -112.3 | 60.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E172 | A170-E172 PolarHBondContact O-N 3.32Š|
| 171 | A | 38.9 | Very low | 41.8 | Very low | 99 Ų | 99 | 146 Ų | 146 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -71.1 | 105.2 | 155.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 172 | E | 45.3 | Very low | 41.5 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 69% | 0.687 | 79% | 0.794 | S | S | * | * | | | trans | -178.9 | 136.1 | 150.3 | -112.2 | -168.3 | 151.9 | 0 | 0 | 112.2 | A170 | A170-E172 PolarHBondContact O-N 3.32Š|
| 173 | K | 46.4 | Very low | 41.9 | Very low | 143 Ų | 143 | 147.3 Ų | 147.3 | 62% | 0.622 | 80% | 0.799 | S | S | * | * | | | trans | 77.3 | 99.5 | 137.6 | -78.9 | 173.5 | 179.7 | 150.2 | 0 | 119.4 | | |
| 174 | Q | 39.5 | Very low | 42.4 | Very low | 150 Ų | 150 | 145.2 Ų | 145.2 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | | 152.7 | 115 | 92.8 | -71.6 | -119.7 | -21.5 | 0 | 0 | 112.9 | | |
| 175 | N | 40.3 | Very low | 42.3 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | | | trans | -75.4 | 121.4 | 156.7 | -119.8 | -28.5 | 0 | 0 | 0 | 108 | | |
| 176 | Y | 43.3 | Very low | 42.5 | Very low | 198 Ų | 198 | 145.1 Ų | 145.1 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | | | trans | -159.8 | 129.5 | 158.3 | -100.1 | -74 | 0 | 0 | 0 | 112.4 | | |
| 177 | S | 46 | Very low | 42.9 | Very low | 98 Ų | 98 | 143.3 Ų | 143.3 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | | | trans | 65.6 | 106.4 | 151 | 59.5 | 0 | 0 | 0 | 0 | 117.5 | | |
| 178 | D | 42.7 | Very low | 43.1 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | | | | 42.7 | 140 | 69 | -86.4 | -30.1 | 0 | 0 | 0 | 114.9 | | |
| 179 | I | 48.5 | Very low | 43.3 | Very low | 146 Ų | 146 | 145.6 Ų | 145.6 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | | | trans | 97.2 | 91.6 | 168.6 | -46.4 | 155.3 | 0 | 0 | 0 | 115.6 | | |
| 180 | R | 44.1 | Very low | 43.2 | Very low | 231 Ų | 231 | 141.5 Ų | 141.5 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | | | | 170.4 | 77.9 | 129.6 | -93.8 | 171.2 | -135.3 | -145 | 3 | 110 | | |
| 181 | T | 42.6 | Very low | 43.1 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | | | | 48.7 | 103 | 100.5 | 62.1 | 0 | 0 | 0 | 0 | 115.2 | | |
| 182 | G | 41.1 | Very low | 43.5 | Very low | 80 Ų | 80 | 143.3 Ų | 143.3 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | | | trans | -172.5 | 61.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 183 | F | 45.4 | Very low | 43.8 | Very low | 199 Ų | 199 | 141 Ų | 141 | 87% | 0.873 | 78% | 0.778 | S | S | * | * | | | trans | -59.9 | 177.6 | 169.5 | -91.3 | -86.9 | 0 | 0 | 0 | 113 | | |
| 184 | P | 46.1 | Very low | 43.9 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | cis | -134.3 | 155.7 | -15.9 | 28.9 | -9.1 | 0 | 0 | 0 | 113.5 | | |
| 185 | G | 39.2 | Very low | 44.5 | Very low | 82 Ų | 82 | 143.3 Ų | 143.3 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | | | trans | 178.5 | 77.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 186 | R | 42.9 | Very low | 45 | Very low | 241 Ų | 241 | 146.1 Ų | 146.1 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | | | trans | -123.7 | 138.5 | 162 | -113.1 | -173.5 | 172.3 | -156.4 | -0.8 | 107.2 | | |
| 187 | P | 47.5 | Very low | 45.7 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | | | | -136.3 | 139.3 | 107.5 | 13 | 9.7 | 0 | 0 | 0 | 111 | | |
| 188 | S | 43.2 | Very low | 45.8 | Very low | 84 Ų | 84 | 142.7 Ų | 142.7 | 59% | 0.587 | 80% | 0.796 | S | S | * | * | | | | 73.1 | 126 | 85.1 | -163 | 0 | 0 | 0 | 0 | 114.6 | | |
| 189 | Q | 43.6 | Very low | 46.3 | Very low | 168 Ų | 168 | 144.2 Ų | 144.2 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | trans | 73.1 | 106 | 147.9 | -80.3 | 166.5 | -34.8 | 0 | 0 | 117.6 | | |
| 190 | S | 39.1 | Very low | 46.5 | Very low | 115 Ų | 115 | 145.2 Ų | 145.2 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | | 74.1 | 121.4 | 86.5 | 77.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 191 | G | 40.1 | Very low | 47.2 | Very low | 61 Ų | 61 | 142.8 Ų | 142.8 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | | | trans | 137.1 | 132.2 | 155.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 192 | L | 46.1 | Very low | 47.8 | Very low | 172 Ų | 172 | 143 Ų | 143 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | | | trans | 75.8 | 137.3 | 151.2 | -41 | 175.2 | 0 | 0 | 0 | 112.8 | | |
| 193 | S | 52.1 | Low | 48.5 | Very low | 98 Ų | 98 | 143 Ų | 143 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | | | cis | -178.8 | 159.3 | 3.7 | 32.2 | 0 | 0 | 0 | 0 | 104.8 | E195 | S193-E195 PolarHBondContact O-N 3.46Š|
| 194 | E | 48.4 | Very low | 49 | Very low | 173 Ų | 173 | 137.1 Ų | 137.1 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | | | trans | -40.4 | 122.4 | 169.2 | -59.6 | 157.2 | 132.9 | 0 | 0 | 113 | | |
| 195 | E | 51.3 | Low | 49.3 | Very low | 168 Ų | 168 | 138.1 Ų | 138.1 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | -131.5 | 98.8 | 152.6 | -75.9 | -161.8 | 167.2 | 0 | 0 | 109.8 | S193 N197 | S193-E195 PolarHBondContact O-N 3.46Å; E195-N197 PolarHBondContact O-N 2.92Å |
| 196 | R | 52.2 | Low | 49.9 | Very low | 222 Ų | 222 | 140.4 Ų | 140.4 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | trans | -54.5 | 112.7 | 155.3 | -71.8 | 169.4 | -79.7 | -166.5 | -8.3 | 108.3 | | |
| 197 | N | 58 | Low | 50.4 | Low | 144 Ų | 144 | 135 Ų | 135 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | -153.3 | 110.4 | 155.1 | -78.8 | -38.5 | 0 | 0 | 0 | 104.2 | E195 | E195-N197 PolarHBondContact O-N 2.92Š|
| 198 | G | 46.6 | Very low | 50.8 | Low | 79 Ų | 79 | 135 Ų | 135 | 81% | 0.814 | 78% | 0.775 | S | S | * | * | | | cis | 95.9 | 37.5 | 49.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 199 | E | 53.3 | Low | 51.2 | Low | 192 Ų | 192 | 137 Ų | 137 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | | | trans | -118.9 | 85.4 | 170.1 | -71.6 | -166.2 | 165.3 | 0 | 0 | 110.2 | K201 | E199-K201 PolarHBondContact O-N 2.9Š|
| 200 | M | 52.6 | Low | 51.2 | Low | 166 Ų | 166 | 134.7 Ų | 134.7 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 120.3 | 157.8 | -73.4 | 178.9 | -159.8 | 0 | 0 | 107.9 | | |
| 201 | K | 58.9 | Low | 51.5 | Low | 180 Ų | 180 | 134 Ų | 134 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 142.6 | 169.8 | -91.5 | -179.4 | 175.4 | 176.1 | 0 | 110.1 | E199 G203 | E199-K201 PolarHBondContact O-N 2.9Å; K201-G203 PolarHBondContact O-N 3.21Å |
| 202 | P | 56.7 | Low | 51.8 | Low | 136 Ų | 136 | 135.6 Ų | 135.6 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | 123.4 | 170.3 | -13.1 | 25.6 | 0 | 0 | 0 | 109.4 | | |
| 203 | G | 56.2 | Low | 51.8 | Low | 80 Ų | 80 | 132.9 Ų | 132.9 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 112.7 | 7.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | K201 T205 | K201-G203 PolarHBondContact O-N 3.21Å; G203-T205 PolarHBondContact O-N 3.42Å |
| 204 | S | 54.2 | Low | 51.7 | Low | 77 Ų | 77 | 137.5 Ų | 137.5 | 54% | 0.538 | 79% | 0.786 | S | S | . | * | | | trans | -81.5 | 112.5 | 165.2 | 59.9 | 0 | 0 | 0 | 0 | 110.1 | D206 | S204-D206 VanDerWaalsContact C-N 3.26Å; S204-D206 PolarHBondContact O-N 3.15Å |
| 205 | T | 54.2 | Low | 51.8 | Low | 140 Ų | 140 | 137.2 Ų | 137.2 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | | | trans | -67.7 | 82 | 168.6 | 38.9 | 0 | 0 | 0 | 0 | 110.2 | G203 T207 | G203-T205 PolarHBondContact O-N 3.42Å; T205-T207 PolarHBondContact O-N 3.23Å |
| 206 | D | 51.8 | Low | 52.1 | Low | 129 Ų | 129 | 137.5 Ų | 137.5 | 69% | 0.69 | 79% | 0.793 | S | S | * | * | | | trans | -72 | 112.6 | 150.6 | -81.9 | -30.2 | 0 | 0 | 0 | 106.7 | S204 | S204-D206 VanDerWaalsContact C-N 3.26Å; S204-D206 PolarHBondContact O-N 3.15Å |
| 207 | T | 52.7 | Low | 52.3 | Low | 128 Ų | 128 | 136 Ų | 136 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -50.6 | 132.2 | 176.1 | 35.4 | 0 | 0 | 0 | 0 | 110.3 | T205 N209 | T205-T207 PolarHBondContact O-N 3.23Å; T207-N209 PolarHBondContact O-N 3.46Å; T207-N209 VanDerWaalsContact O-N 3.12Å |
| 208 | P | 55.1 | Low | 51.9 | Low | 123 Ų | 123 | 134 Ų | 134 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | | | trans | -62.3 | 121.7 | 179.1 | 24.7 | -31.5 | 0 | 0 | 0 | 109.3 | S210 | P208-S210 PolarHBondContact O-N 3.03Š|
| 209 | N | 52.3 | Low | 52.3 | Low | 125 Ų | 125 | 134.5 Ų | 134.5 | 67% | 0.668 | 78% | 0.781 | S | S | * | * | | | trans | -32.3 | 109.2 | 155.9 | 179.4 | 9.2 | 0 | 0 | 0 | 110.4 | T207 T211 | T207-N209 PolarHBondContact O-N 3.46Å; T207-N209 VanDerWaalsContact O-N 3.12Å; N209-T211 PolarHBondContact ND2-OG1 2.9Å; N209-T211 PolarHBondContact O-N 3.39Å; N209-T211 PolarHBondContact OD1-OG1 2.97Å |
| 210 | S | 44.5 | Very low | 52.6 | Low | 121 Ų | 121 | 134.7 Ų | 134.7 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | -71.5 | 79.2 | 165.6 | 59.4 | 0 | 0 | 0 | 0 | 108.4 | P208 | P208-S210 PolarHBondContact O-N 3.03Š|
| 211 | T | 45.2 | Very low | 52.5 | Low | 99 Ų | 99 | 138.7 Ų | 138.7 | 61% | 0.607 | 80% | 0.803 | S | S | * | * | | | trans | -125 | 142.3 | 159.6 | 25.1 | 0 | 0 | 0 | 0 | 108.6 | N209 | N209-T211 PolarHBondContact ND2-OG1 2.9Å; N209-T211 PolarHBondContact O-N 3.39Å; N209-T211 PolarHBondContact OD1-OG1 2.97Å |
| 212 | A | 45.6 | Very low | 52.2 | Low | 95 Ų | 95 | 136.6 Ų | 136.6 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 75.7 | 95.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 213 | S | 46.8 | Very low | 51.9 | Low | 115 Ų | 115 | 136.6 Ų | 136.6 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | S | Bend | | -173.4 | 90.1 | 68.7 | -61.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 214 | E | 49.4 | Very low | 51.7 | Low | 195 Ų | 195 | 139.8 Ų | 139.8 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | | | trans | -155.6 | 63.7 | 163.3 | -117.6 | 174.4 | -161.1 | 0 | 0 | 109.2 | | |
| 215 | L | 50.6 | Low | 51.5 | Low | 168 Ų | 168 | 143.5 Ų | 143.5 | 88% | 0.88 | 81% | 0.813 | S | S | * | * | | | trans | -115.6 | 80.3 | 161.2 | -79.9 | 167.8 | 0 | 0 | 0 | 106.6 | | |
| 216 | M | 57.5 | Low | 51.4 | Low | 174 Ų | 174 | 143.7 Ų | 143.7 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | | | trans | -126.8 | 93.4 | 165.6 | -76.5 | -98.4 | -123 | 0 | 0 | 107.7 | | |
| 217 | F | 56.3 | Low | 51.3 | Low | 189 Ų | 189 | 144.7 Ų | 144.7 | 83% | 0.829 | 82% | 0.818 | S | S | * | * | | | trans | 34 | 104.5 | 149.4 | -61.1 | -85.3 | 0 | 0 | 0 | 117.7 | | |
| 218 | S | 50.6 | Low | 51.2 | Low | 103 Ų | 103 | 145.9 Ų | 145.9 | 72% | 0.72 | 82% | 0.821 | S | S | * | * | | | | 61.7 | 94.4 | 94.6 | -145.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 219 | S | 53.7 | Low | 50.9 | Low | 89 Ų | 89 | 147.6 Ų | 147.6 | 62% | 0.622 | 82% | 0.822 | S | S | * | * | | | | 83.2 | 120.1 | 92.7 | 77.8 | 0 | 0 | 0 | 0 | 115.2 | | |
| 220 | K | 59.6 | Low | 50.8 | Low | 196 Ų | 196 | 149.5 Ų | 149.5 | 85% | 0.852 | 84% | 0.835 | S | S | * | * | | | trans | 65.5 | 97.4 | 147.8 | -60.6 | 178.1 | 178.8 | -179.3 | 0 | 117.4 | | |
| 221 | L | 50.3 | Low | 51.4 | Low | 250 Ų | 250 | 152.1 Ų | 152.1 | 100% | 1.309 | 83% | 0.834 | S | S | * | * | | | | 175.7 | 0 | 104 | -107.8 | 135.5 | 0 | 0 | 0 | 109.7 | | |