| 1 | M | 47.3 | Very low | 53.1 | Low | 237 Ų | 237 | 145.5 Ų | 145.5 | 100% | 1.167 | 81% | 0.807 | S | S | * | * | | | | 0 | 127.3 | 0 | -69.7 | 160.1 | 71 | 0 | 0 | 106.7 | | |
| 2 | H | 49 | Very low | 53.1 | Low | 171 Ų | 171 | 145.8 Ų | 145.8 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | | | trans | -111.2 | 146.7 | 179.5 | -59.5 | -97.7 | 0 | 0 | 0 | 109.4 | | |
| 3 | P | 61.9 | Low | 52.8 | Low | 122 Ų | 122 | 146.5 Ų | 146.5 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | | | trans | -85.6 | 108.8 | 133.9 | 31.4 | -22.9 | 0 | 0 | 0 | 107.2 | | |
| 4 | E | 57.7 | Low | 53 | Low | 173 Ų | 173 | 141 Ų | 141 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | | | | 62.6 | 109.8 | 81 | -68.7 | -56.6 | 116 | 0 | 0 | 112.6 | | |
| 5 | G | 48.3 | Very low | 53 | Low | 69 Ų | 69 | 143.1 Ų | 143.1 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 137.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q7 | G5-Q7 PolarHBondContact O-N 3.33Š|
| 6 | G | 55.8 | Low | 53 | Low | 82 Ų | 82 | 144.1 Ų | 144.1 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -62 | 124 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F8 | G6-F8 PolarHBondContact O-N 3.36Š|
| 7 | Q | 56 | Low | 53.1 | Low | 178 Ų | 178 | 145.4 Ų | 145.4 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 121.7 | -177.3 | -68.5 | 174.7 | -8.9 | 0 | 0 | 111.5 | G5 V9 | G5-Q7 PolarHBondContact O-N 3.33Å; Q7-V9 PolarHBondContact O-N 3.35Å |
| 8 | F | 41.4 | Very low | 53.1 | Low | 189 Ų | 189 | 141.4 Ų | 141.4 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | | | trans | -79.3 | 114 | 170.5 | -175.8 | -97.1 | 0 | 0 | 0 | 109.5 | G6 P10 | G6-F8 PolarHBondContact O-N 3.36Å; F8-P10 HydrophobicContact CD1-CG 4.43Å; F8-P10 HydrophobicContact CE1-CB 4.16Å; F8-P10 HydrophobicContact CE1-CG 4.35Å; F8-P10 VanDerWaalsContact O-CD 3.25Å; F8-P10 WeakPolarHBondContact O-CD 3.46Å |
| 9 | V | 61.6 | Low | 53.1 | Low | 105 Ų | 105 | 140.3 Ų | 140.3 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | | | trans | -109.4 | 95.8 | -177.6 | -176.8 | 0 | 0 | 0 | 0 | 110.4 | Q7 Q11 | Q7-V9 PolarHBondContact O-N 3.35Å; V9-Q11 HydrophobicContact CG1-CG 4.35Å; V9-Q11 PolarHBondContact O-N 2.82Å; V9-Q11 VanDerWaalsContact O-N 3.17Å |
| 10 | P | 53.8 | Low | 53 | Low | 100 Ų | 100 | 143.1 Ų | 143.1 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | | | trans | -77.2 | 98.6 | 172.3 | 30.6 | -32.2 | 0 | 0 | 0 | 110 | F8 L12 | F8-P10 HydrophobicContact CD1-CG 4.43Å; F8-P10 HydrophobicContact CE1-CB 4.16Å; F8-P10 HydrophobicContact CE1-CG 4.35Å; F8-P10 VanDerWaalsContact O-CD 3.25Å; F8-P10 WeakPolarHBondContact O-CD 3.46Å; P10-L12 PolarHBondContact O-N 3.47Å; P10-L12 VanDerWaalsContact O-N 3.15Å |
| 11 | Q | 51.9 | Low | 52.9 | Low | 174 Ų | 174 | 144.3 Ų | 144.3 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | trans | -71.2 | 109.8 | 172.4 | -80.4 | -167.8 | -9.1 | 0 | 0 | 111.4 | V9 | V9-Q11 HydrophobicContact CG1-CG 4.35Å; V9-Q11 PolarHBondContact O-N 2.82Å; V9-Q11 VanDerWaalsContact O-N 3.17Å |
| 12 | L | 52.5 | Low | 53 | Low | 150 Ų | 150 | 142 Ų | 142 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | 21.5 | 106.7 | 137.7 | -67.7 | 167.4 | 0 | 0 | 0 | 116 | P10 | P10-L12 PolarHBondContact O-N 3.47Å; P10-L12 VanDerWaalsContact O-N 3.15Å |
| 13 | L | 48.7 | Very low | 53 | Low | 155 Ų | 155 | 145 Ų | 145 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | | | | 81.6 | 117.5 | 86.9 | -174.7 | 66.1 | 0 | 0 | 0 | 112.5 | | |
| 14 | G | 56.5 | Low | 52.1 | Low | 69 Ų | 69 | 148 Ų | 148 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | trans | -68.8 | 146.5 | -165.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 15 | H | 52.5 | Low | 51.8 | Low | 172 Ų | 172 | 146 Ų | 146 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | | | trans | -144 | 14.4 | 175.2 | -120.6 | 67.5 | 0 | 0 | 0 | 115.8 | | |
| 16 | L | 53.5 | Low | 52.2 | Low | 160 Ų | 160 | 150.6 Ų | 150.6 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -92.4 | -11.3 | -170.2 | -166.9 | 53.9 | 0 | 0 | 0 | 115.6 | | |
| 17 | L | 54.5 | Low | 51.5 | Low | 166 Ų | 166 | 152.2 Ų | 152.2 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -96 | -15.1 | -174.3 | -98.9 | 68.8 | 0 | 0 | 0 | 115.7 | | |
| 18 | A | 53.2 | Low | 51.2 | Low | 73 Ų | 73 | 154 Ų | 154 | 60% | 0.603 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -82.6 | -21.5 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 19 | T | 52.9 | Low | 51.3 | Low | 121 Ų | 121 | 148.4 Ų | 148.4 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -93.5 | -10.4 | -164.4 | 41 | 0 | 0 | 0 | 0 | 116 | | |
| 20 | K | 51.5 | Low | 50.8 | Low | 196 Ų | 196 | 147.2 Ų | 147.2 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -88.9 | -25.5 | -178.4 | -146.5 | 173.2 | -174 | -179.6 | 0 | 114.1 | | |
| 21 | F | 50.1 | Low | 50.7 | Low | 169 Ų | 169 | 154.5 Ų | 154.5 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | G | 310 helix | trans | -76.4 | -31.1 | -174.9 | -160 | -106.5 | 0 | 0 | 0 | 113.8 | R23 | F21-R23 PolarHBondContact O-N 2.91Å; F21-R23 VanDerWaalsContact O-N 3.15Å |
| 22 | K | 50.2 | Low | 50.4 | Low | 189 Ų | 189 | 156.8 Ų | 156.8 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | G | 310 helix | trans | -79.5 | 5.7 | -170.3 | -151 | 163.1 | -174.5 | 172.6 | 0 | 115.3 | | |
| 23 | R | 47.9 | Very low | 50.3 | Low | 232 Ų | 232 | 154.6 Ų | 154.6 | 88% | 0.875 | 81% | 0.809 | S | S | * | * | G | 310 helix | trans | -100.5 | -2.3 | 178.2 | -130.9 | -165.4 | -63.2 | -176.4 | 0.4 | 115.1 | F21 | F21-R23 PolarHBondContact O-N 2.91Å; F21-R23 VanDerWaalsContact O-N 3.15Å |
| 24 | F | 42.9 | Very low | 50.2 | Low | 186 Ų | 186 | 155.3 Ų | 155.3 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -96.8 | -24.8 | 178.9 | -166.8 | -111.6 | 0 | 0 | 0 | 113.7 | L26 | F24-L26 PolarHBondContact O-N 3.31Š|
| 25 | L | 53.1 | Low | 50 | Low | 130 Ų | 130 | 159.7 Ų | 159.7 | 68% | 0.681 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -82.2 | 37 | -173.5 | -67.8 | 174.2 | 0 | 0 | 0 | 114.9 | | |
| 26 | L | 55.1 | Low | 49.8 | Very low | 167 Ų | 167 | 156.9 Ų | 156.9 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | | | trans | -147.9 | 55 | 170.7 | -156.8 | 69 | 0 | 0 | 0 | 113.9 | F24 | F24-L26 PolarHBondContact O-N 3.31Š|
| 27 | S | 42.6 | Very low | 49.2 | Very low | 116 Ų | 116 | 155.5 Ų | 155.5 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | | | trans | -127.8 | 68.8 | 163.7 | -164.5 | 0 | 0 | 0 | 0 | 111 | G29 | S27-G29 PolarHBondContact O-N 3.33Š|
| 28 | K | 49.3 | Very low | 49.2 | Very low | 215 Ų | 215 | 154.7 Ų | 154.7 | 94% | 0.935 | 81% | 0.806 | S | S | * | * | | | trans | -87.4 | 99.3 | 169.2 | -79.9 | -171.8 | 174.3 | -177.4 | 0 | 109.4 | | |
| 29 | G | 42.4 | Very low | 49 | Very low | 72 Ų | 72 | 155.6 Ų | 155.6 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | | | trans | -126 | 89.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | S27 | S27-G29 PolarHBondContact O-N 3.33Š|
| 30 | G | 50.8 | Low | 48.6 | Very low | 80 Ų | 80 | 160 Ų | 160 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | trans | -75.2 | 151.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 31 | R | 52.4 | Low | 48.8 | Very low | 252 Ų | 252 | 155.7 Ų | 155.7 | 95% | 0.951 | 81% | 0.812 | S | S | * | * | | | trans | -132 | 150.8 | 162.6 | -73.4 | -166.8 | -74.9 | -157.2 | -1.6 | 110.7 | | |
| 32 | R | 46.6 | Very low | 48.6 | Very low | 223 Ų | 223 | 152.1 Ų | 152.1 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | | | trans | -54.3 | 140.6 | -169.7 | -67 | 155 | 72.6 | 172.4 | 2.2 | 112.1 | | |
| 33 | A | 49.8 | Very low | 48.5 | Very low | 103 Ų | 103 | 147.5 Ų | 147.5 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | | | trans | -62.3 | 133.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 34 | Q | 47.5 | Very low | 48.6 | Very low | 170 Ų | 170 | 144.8 Ų | 144.8 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | | | trans | -137 | 153.8 | 158.8 | -67.2 | -167 | 121.9 | 0 | 0 | 107.6 | | |
| 35 | I | 50.6 | Low | 48.5 | Very low | 161 Ų | 161 | 142.6 Ų | 142.6 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | | | trans | -71.6 | 140.1 | -167.4 | -59.8 | 160.6 | 0 | 0 | 0 | 109.9 | D37 | I35-D37 PolarHBondContact O-N 3.23Š|
| 36 | P | 48 | Very low | 48.2 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | -69.6 | 113.2 | 170.4 | 28.7 | -33.3 | 0 | 0 | 0 | 110.2 | | |
| 37 | D | 41.6 | Very low | 48 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | trans | -76.5 | 127.3 | 173.1 | -165.9 | -56.4 | 0 | 0 | 0 | 110 | I35 S39 | I35-D37 PolarHBondContact O-N 3.23Å; D37-S39 VanDerWaalsContact C-N 3.3Å; D37-S39 PolarHBondContact O-N 2.96Å; D37-S39 VanDerWaalsContact O-N 3.08Å; D37-S39 WeakPolarHBondContact OD1-CB 3.19Å; D37-S39 PolarHBondContact OD1-OG 2.85Å |
| 38 | V | 53.9 | Low | 48.7 | Very low | 150 Ų | 150 | 144.5 Ų | 144.5 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -88.6 | 65.4 | -173.6 | -170.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 39 | S | 50.7 | Low | 48.9 | Very low | 92 Ų | 92 | 141.5 Ų | 141.5 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | | | trans | -142.7 | 31.2 | -171.6 | 59.3 | 0 | 0 | 0 | 0 | 115.6 | D37 | D37-S39 VanDerWaalsContact C-N 3.3Å; D37-S39 PolarHBondContact O-N 2.96Å; D37-S39 VanDerWaalsContact O-N 3.08Å; D37-S39 WeakPolarHBondContact OD1-CB 3.19Å; D37-S39 PolarHBondContact OD1-OG 2.85Å |
| 40 | R | 44.7 | Very low | 49.5 | Very low | 212 Ų | 212 | 142.4 Ų | 142.4 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | | | trans | -142.3 | 82.7 | 172.4 | -163.1 | 165.8 | 177.9 | -172.7 | -4 | 115.4 | T42 | R40-T42 HydrophobicContact CG-CG2 4.04Å; R40-T42 PolarHBondContact O-N 3.3Å; R40-T42 VanDerWaalsContact O-N 3.16Å |
| 41 | A | 54 | Low | 49.6 | Very low | 107 Ų | 107 | 144 Ų | 144 | 88% | 0.884 | 76% | 0.758 | S | S | * | * | | | trans | -70 | 99.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 42 | T | 46.3 | Very low | 49.5 | Very low | 93 Ų | 93 | 136 Ų | 136 | 57% | 0.571 | 75% | 0.747 | S | S | * | * | | | trans | -98.9 | 120.1 | 160.1 | 38.7 | 0 | 0 | 0 | 0 | 108.8 | R40 | R40-T42 HydrophobicContact CG-CG2 4.04Å; R40-T42 PolarHBondContact O-N 3.3Å; R40-T42 VanDerWaalsContact O-N 3.16Å |
| 43 | P | 49 | Very low | 49.7 | Very low | 92 Ų | 92 | 128.6 Ų | 128.6 | 60% | 0.597 | 73% | 0.732 | S | S | * | * | | | trans | -67.2 | 159.4 | 171.6 | 28.9 | -34.1 | 0 | 0 | 0 | 111.4 | | |
| 44 | H | 49 | Very low | 49.6 | Very low | 176 Ų | 176 | 131 Ų | 131 | 82% | 0.815 | 73% | 0.728 | S | S | * | * | | | trans | 52 | 97.1 | 174.8 | 15.3 | 69.4 | 0 | 0 | 0 | 117.4 | | |
| 45 | T | 41.5 | Very low | 50 | Low | 140 Ų | 140 | 129 Ų | 129 | 86% | 0.859 | 72% | 0.717 | S | S | * | * | | | | -133.2 | 121.6 | 122.9 | -50.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 46 | I | 47.1 | Very low | 50.2 | Low | 152 Ų | 152 | 125 Ų | 125 | 78% | 0.779 | 70% | 0.703 | S | S | * | * | | | trans | -73.6 | 128.4 | 164 | -65.2 | 170.9 | 0 | 0 | 0 | 105.9 | E48 | I46-E48 VanDerWaalsContact C-N 3.27Å; I46-E48 PolarHBondContact O-N 2.98Å |
| 47 | D | 51.1 | Low | 50.8 | Low | 139 Ų | 139 | 124 Ų | 124 | 74% | 0.743 | 70% | 0.695 | S | S | * | * | | | trans | -71.2 | 90.2 | 168.8 | -170.1 | 38.9 | 0 | 0 | 0 | 108.1 | M49 | D47-M49 PolarHBondContact O-N 3.17Š|
| 48 | E | 57.2 | Low | 52 | Low | 161 Ų | 161 | 121.4 Ų | 121.4 | 75% | 0.752 | 69% | 0.692 | S | S | * | * | | | trans | -72.4 | 67 | 177 | -165.2 | -167.8 | 120.4 | 0 | 0 | 109.7 | I46 | I46-E48 VanDerWaalsContact C-N 3.27Å; I46-E48 PolarHBondContact O-N 2.98Å |
| 49 | M | 53.5 | Low | 53.3 | Low | 152 Ų | 152 | 119.7 Ų | 119.7 | 75% | 0.749 | 68% | 0.678 | S | S | * | * | | | trans | -53.9 | 122.6 | 169.6 | -180 | 160.1 | 43.8 | 0 | 0 | 108.1 | D47 E51 | D47-M49 PolarHBondContact O-N 3.17Å; M49-E51 PolarHBondContact O-N 3.3Å |
| 50 | P | 54.9 | Low | 55.1 | Low | 92 Ų | 92 | 120.5 Ų | 120.5 | 60% | 0.597 | 67% | 0.669 | S | S | * | * | | | trans | -68.9 | 105.1 | -144.3 | 20.7 | -34.2 | 0 | 0 | 0 | 114.6 | A52 A53 | P50-A52 PolarHBondContact O-N 3.24Å; P50-A53 PolarHBondContact O-N 3.19Å; P50-A53 VanDerWaalsContact O-N 3.12Å |
| 51 | E | 52.7 | Low | 57.3 | Low | 113 Ų | 113 | 116 Ų | 116 | 53% | 0.528 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.9 | -20.1 | 175.9 | -147.2 | -144 | 112.4 | 0 | 0 | 112.9 | M49 A53 M54 K55 | M49-E51 PolarHBondContact O-N 3.3Å; E51-A53 PolarHBondContact O-N 3.12Å; E51-A53 VanDerWaalsContact O-N 3.1Å; E51-M54 PolarHBondContact O-N 3.02Å; E51-K55 VanDerWaalsContact OE1-CD 3.27Å; E51-K55 WeakPolarHBondContact OE1-CD 3.46Å; E51-K55 WeakPolarHBondContact OE1-CE 3.49Å; E51-K55 IonicContact OE1-NZ 2.62Å; E51-K55 PolarHBondContact OE1-NZ 3.4Å; E51-K55 IonicContact OE2-NZ 3.61Å |
| 52 | A | 49.1 | Very low | 59.1 | Low | 85 Ų | 85 | 114.7 Ų | 114.7 | 70% | 0.702 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.5 | -25.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114.3 | P50 | P50-A52 PolarHBondContact O-N 3.24Š|
| 53 | A | 51.3 | Low | 61.3 | Low | 66 Ų | 66 | 111.5 Ų | 111.5 | 55% | 0.545 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.9 | -48 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P50 E51 S56 | P50-A53 PolarHBondContact O-N 3.19Å; P50-A53 VanDerWaalsContact O-N 3.12Å; E51-A53 PolarHBondContact O-N 3.12Å; E51-A53 VanDerWaalsContact O-N 3.1Å; A53-S56 WeakPolarHBondContact O-CB 3.25Å; A53-S56 PolarHBondContact O-N 3.3Å; A53-S56 PolarHBondContact O-OG 3.29Å |
| 54 | M | 48.8 | Very low | 63.4 | Low | 154 Ų | 154 | 109.5 Ų | 109.5 | 76% | 0.759 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -80.9 | -27.6 | -169.7 | -68.5 | -168.7 | 173.1 | 0 | 0 | 113.9 | E51 S56 T57 A58 | E51-M54 PolarHBondContact O-N 3.02Å; M54-S56 PolarHBondContact O-N 2.77Å; M54-S56 VanDerWaalsContact O-N 3.14Å; M54-T57 PolarHBondContact O-N 2.85Å; M54-T57 PolarHBondContact O-OG1 3.15Å; M54-A58 PolarHBondContact O-N 3.25Å |
| 55 | K | 54.7 | Low | 65.4 | Low | 129 Ų | 129 | 105.1 Ų | 105.1 | 56% | 0.561 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -63.9 | -15.4 | 173.1 | -92.7 | 166.9 | 174.8 | 152.6 | 0 | 114 | E51 N59 | E51-K55 VanDerWaalsContact OE1-CD 3.27Å; E51-K55 WeakPolarHBondContact OE1-CD 3.46Å; E51-K55 WeakPolarHBondContact OE1-CE 3.49Å; E51-K55 IonicContact OE1-NZ 2.62Å; E51-K55 PolarHBondContact OE1-NZ 3.4Å; E51-K55 IonicContact OE2-NZ 3.61Å; K55-N59 PolarHBondContact O-ND2 3.45Å |
| 56 | S | 56.4 | Low | 67.9 | Low | 77 Ų | 77 | 100.9 Ų | 100.9 | 54% | 0.538 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -74.8 | -26.5 | 178.4 | 75.3 | 0 | 0 | 0 | 0 | 114.6 | A53 M54 | A53-S56 WeakPolarHBondContact O-CB 3.25Å; A53-S56 PolarHBondContact O-N 3.3Å; A53-S56 PolarHBondContact O-OG 3.29Å; M54-S56 PolarHBondContact O-N 2.77Å; M54-S56 VanDerWaalsContact O-N 3.14Å |
| 57 | T | 59.1 | Low | 70.1 | Confident | 91 Ų | 91 | 94 Ų | 94 | 56% | 0.558 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -27.1 | 177.4 | 50.2 | 0 | 0 | 0 | 0 | 112.7 | M54 N59 K60 | M54-T57 PolarHBondContact O-N 2.85Å; M54-T57 PolarHBondContact O-OG1 3.15Å; T57-N59 PolarHBondContact O-N 3.4Å; T57-K60 PolarHBondContact O-N 3.35Å |
| 58 | A | 66.6 | Low | 72.2 | Confident | 77 Ų | 77 | 90 Ų | 90 | 64% | 0.636 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -24 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | M54 | M54-A58 PolarHBondContact O-N 3.25Š|
| 59 | N | 81.4 | Confident | 73.8 | Confident | 114 Ų | 114 | 85.5 Ų | 85.5 | 61% | 0.61 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | 24.8 | 179.8 | -65.3 | -82.2 | 0 | 0 | 0 | 113.3 | K55 T57 P76 | K55-N59 PolarHBondContact O-ND2 3.45Å; T57-N59 PolarHBondContact O-N 3.4Å; N59-P76 WeakPolarHBondContact O-CD 3.33Å |
| 60 | K | 89.8 | Confident | 75.7 | Confident | 108 Ų | 108 | 84.3 Ų | 84.3 | 47% | 0.47 | 46% | 0.458 | S | S | . | . | | | trans | -132.1 | 132.5 | 178.6 | -58.4 | -178.3 | -174.1 | 179.4 | 0 | 111 | T57 F73 L74 | T57-K60 PolarHBondContact O-N 3.35Å; K60-F73 HydrophobicContact CB-CB 4.29Å; K60-F73 HydrophobicContact CD-CB 4.34Å; K60-L74 CarbonylContact C-O 3.04Å; K60-L74 VanDerWaalsContact CA-O 3.24Å; K60-L74 WeakPolarHBondContact CA-O 3.5Å |
| 61 | Y | 90.3 | Very high | 77.5 | Confident | 118 Ų | 118 | 82.9 Ų | 82.9 | 46% | 0.463 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 144 | 172.7 | -60.1 | -86.9 | 0 | 0 | 0 | 109.9 | V63 F73 L74 P76 L79 | Y61-V63 PolarHBondContact O-N 2.92Å; Y61-F73 WeakPolarHBondContact O-CA 3.11Å; Y61-L74 PolarHBondContact N-O 3Å; Y61-L74 PolarHBondContact O-N 2.89Å; Y61-P76 HydrophobicContact CE2-CG 4.04Å; Y61-L79 HydrophobicContact CD2-CD1 3.44Å; Y61-L79 VanDerWaalsContact CD2-CD1 3.44Å; Y61-L79 HydrophobicContact CE2-CD1 4.3Å; Y61-L79 HydrophobicContact CG-CD1 3.97Å |
| 62 | Q | 91.9 | Very high | 79.3 | Confident | 80 Ų | 80 | 79.1 Ų | 79.1 | 37% | 0.374 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 109.4 | 167.1 | -168.4 | 167.6 | 3.5 | 0 | 0 | 108.2 | T71 A72 F73 Y116 | Q62-T71 HydrophobicContact CG-CG2 3.45Å; Q62-T71 VanDerWaalsContact CG-CG2 3.45Å; Q62-A72 CarbonylContact C-O 3.49Å; Q62-A72 WeakPolarHBondContact CA-O 3.25Å; Q62-F73 HydrophobicContact CB-CD1 4.04Å; Q62-F73 HydrophobicContact CB-CE1 3.68Å; Q62-F73 HydrophobicContact CB-CZ 4.29Å; Q62-F73 HydrophobicContact CG-CD1 4.41Å; Q62-F73 HydrophobicContact CG-CE1 3.93Å; Q62-F73 HydrophobicContact CG-CZ 4.02Å; Q62-Y116 VanDerWaalsContact NE2-CZ 3.28Å; Q62-Y116 PolarHBondContact NE2-OH 3.44Å; Q62-Y116 PolarHBondContact OE1-OH 3.05Å |
| 63 | V | 92.4 | Very high | 81.4 | Confident | 25 Ų | 25 | 81.3 Ų | 81.3 | 15% | 0.152 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 128.7 | -174.5 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | Y61 T71 A72 L74 L79 | Y61-V63 PolarHBondContact O-N 2.92Å; V63-T71 WeakPolarHBondContact O-CA 3.3Å; V63-T71 WeakPolarHBondContact O-CG2 3.31Å; V63-A72 PolarHBondContact N-O 2.95Å; V63-A72 PolarHBondContact O-N 3.29Å; V63-L74 HydrophobicContact CB-CD1 4.25Å; V63-L74 HydrophobicContact CB-CG 4.37Å; V63-L74 HydrophobicContact CG1-CD1 4.31Å; V63-L74 HydrophobicContact CG2-CB 3.87Å; V63-L74 HydrophobicContact CG2-CD1 4.11Å; V63-L74 HydrophobicContact CG2-CG 4.11Å; V63-L79 HydrophobicContact CG1-CD2 4.45Å; V63-L79 HydrophobicContact CG2-CD1 4Å; V63-L79 HydrophobicContact CG2-CD2 3.82Å; V63-L79 HydrophobicContact CG2-CG 4.18Å |
| 64 | F | 92.4 | Very high | 83.4 | Confident | 50 Ų | 50 | 80.2 Ų | 80.2 | 22% | 0.219 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 135.8 | 172.5 | 172.8 | -109.5 | 0 | 0 | 0 | 110.7 | F66 E70 V111 K112 | F64-F66 HydrophobicContact CD1-CD1 4.32Å; F64-F66 HydrophobicContact CD1-CD2 4.49Å; F64-F66 HydrophobicContact CD1-CE1 4.31Å; F64-F66 HydrophobicContact CD1-CE2 4.48Å; F64-F66 HydrophobicContact CD1-CG 4.41Å; F64-F66 HydrophobicContact CD1-CZ 4.39Å; F64-F66 HydrophobicContact CE1-CB 4.42Å; F64-F66 AromaticContact CE1-CD1 3.64Å; F64-F66 HydrophobicContact CE1-CD1 3.64Å; F64-F66 HydrophobicContact CE1-CD2 4.42Å; F64-F66 AromaticContact CE1-CE1 3.95Å; F64-F66 HydrophobicContact CE1-CE1 3.95Å; F64-F66 AromaticContact CE1-CG 3.9Å; F64-F66 HydrophobicContact CE1-CG 3.9Å; F64-F66 HydrophobicContact CE1-CZ 4.46Å; F64-E70 VanDerWaalsContact CD2-O 3.32Å; F64-E70 WeakPolarHBondContact CD2-O 3.45Å; F64-V111 HydrophobicContact CE1-CG1 4.32Å; F64-K112 HydrophobicContact CD1-CB 4.04Å; F64-K112 HydrophobicContact CD2-CB 4.09Å; F64-K112 HydrophobicContact CD2-CG 4.48Å; F64-K112 HydrophobicContact CE1-CB 3.76Å; F64-K112 HydrophobicContact CE1-CG 4.03Å; F64-K112 HydrophobicContact CE2-CB 3.86Å; F64-K112 HydrophobicContact CE2-CD 4.08Å; F64-K112 HydrophobicContact CE2-CG 3.78Å; F64-K112 HydrophobicContact CG-CB 4.21Å; F64-K112 HydrophobicContact CZ-CB 3.7Å; F64-K112 HydrophobicContact CZ-CD 4.27Å; F64-K112 HydrophobicContact CZ-CG 3.52Å |
| 65 | F | 92.4 | Very high | 85.5 | Confident | 84 Ų | 84 | 73.6 Ų | 73.6 | 37% | 0.368 | 39% | 0.386 | S | S | . | . | | | trans | -104.9 | 111 | 175.4 | -66.5 | -71.7 | 0 | 0 | 0 | 111.4 | H69 E70 A72 L74 | F65-H69 WeakPolarHBondContact O-CA 3.21Å; F65-H69 PolarHBondContact O-N 3.07Å; F65-E70 PolarHBondContact N-O 3.15Å; F65-A72 HydrophobicContact CE2-CB 3.83Å; F65-L74 HydrophobicContact CZ-CD1 4.08Å |
| 66 | F | 93 | Very high | 87.2 | Confident | 51 Ų | 51 | 71.3 Ų | 71.3 | 22% | 0.224 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 148.3 | 168.7 | -65.4 | -80 | 0 | 0 | 0 | 111.6 | F64 T68 G101 E104 I105 V111 | F64-F66 HydrophobicContact CD1-CD1 4.32Å; F64-F66 HydrophobicContact CD1-CD2 4.49Å; F64-F66 HydrophobicContact CD1-CE1 4.31Å; F64-F66 HydrophobicContact CD1-CE2 4.48Å; F64-F66 HydrophobicContact CD1-CG 4.41Å; F64-F66 HydrophobicContact CD1-CZ 4.39Å; F64-F66 HydrophobicContact CE1-CB 4.42Å; F64-F66 AromaticContact CE1-CD1 3.64Å; F64-F66 HydrophobicContact CE1-CD1 3.64Å; F64-F66 HydrophobicContact CE1-CD2 4.42Å; F64-F66 AromaticContact CE1-CE1 3.95Å; F64-F66 HydrophobicContact CE1-CE1 3.95Å; F64-F66 AromaticContact CE1-CG 3.9Å; F64-F66 HydrophobicContact CE1-CG 3.9Å; F64-F66 HydrophobicContact CE1-CZ 4.46Å; F66-T68 VanDerWaalsContact C-N 3.27Å; F66-T68 PolarHBondContact O-N 2.84Å; F66-G101 VanDerWaalsContact C-CA 3.5Å; F66-E104 VanDerWaalsContact CA-OE2 3.27Å; F66-E104 WeakPolarHBondContact CA-OE2 3.34Å; F66-E104 HydrophobicContact CB-CB 4.07Å; F66-E104 WeakPolarHBondContact CB-OE2 3.32Å; F66-E104 HydrophobicContact CD1-CB 3.74Å; F66-E104 WeakPolarHBondContact CD1-OE2 3.4Å; F66-E104 HydrophobicContact CG-CB 4.26Å; F66-I105 HydrophobicContact CD2-CB 4.01Å; F66-I105 HydrophobicContact CD2-CD1 4.09Å; F66-I105 HydrophobicContact CD2-CG1 4.21Å; F66-I105 HydrophobicContact CE2-CB 4.08Å; F66-I105 HydrophobicContact CE2-CD1 3.83Å; F66-I105 HydrophobicContact CE2-CG1 3.85Å; F66-I105 HydrophobicContact CG-CB 4.35Å; F66-I105 HydrophobicContact CZ-CB 4.47Å; F66-I105 HydrophobicContact CZ-CG1 4.29Å; F66-V111 HydrophobicContact CD1-CG1 3.94Å; F66-V111 HydrophobicContact CE1-CG1 3.94Å |
| 67 | G | 94 | Very high | 88.9 | Confident | 7 Ų | 7 | 76.5 Ų | 76.5 | 7% | 0.072 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | -60.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | H69 G97 E104 | G67-H69 PolarHBondContact O-N 2.86Å; G67-H69 PolarHBondContact O-ND1 3.33Å; G67-G97 WeakPolarHBondContact CA-O 3.19Å; G67-E104 VanDerWaalsContact CA-OE1 3.28Å; G67-E104 WeakPolarHBondContact CA-OE1 3.4Å; G67-E104 PolarHBondContact N-OE1 3.02Å; G67-E104 PolarHBondContact N-OE2 3.2Å |
| 68 | T | 93.4 | Very high | 90.4 | Very high | 57 Ų | 57 | 76.9 Ų | 76.9 | 35% | 0.35 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -18.6 | 175.8 | 74.1 | 0 | 0 | 0 | 0 | 112.8 | F66 E70 | F66-T68 VanDerWaalsContact C-N 3.27Å; F66-T68 PolarHBondContact O-N 2.84Å; T68-E70 WeakPolarHBondContact CB-OE2 3.38Å; T68-E70 PolarHBondContact O-N 3.32Å; T68-E70 VanDerWaalsContact O-N 3.16Å; T68-E70 PolarHBondContact OG1-OE2 3.4Å |
| 69 | H | 92.1 | Very high | 91.6 | Very high | 66 Ų | 66 | 76.2 Ų | 76.2 | 31% | 0.306 | 38% | 0.382 | S | S | . | . | | | trans | 60.5 | 17.9 | -179.6 | -71.7 | 83.4 | 0 | 0 | 0 | 114.5 | F65 G67 E104 K112 | F65-H69 WeakPolarHBondContact O-CA 3.21Å; F65-H69 PolarHBondContact O-N 3.07Å; G67-H69 PolarHBondContact O-N 2.86Å; G67-H69 PolarHBondContact O-ND1 3.33Å; H69-E104 IonicContact CE1-OE1 3.89Å; H69-E104 PolarHBondContact CE1-OE1 3Å; H69-E104 IonicContact CE1-OE2 3.88Å; H69-E104 IonicContact ND1-OE1 3.79Å; H69-E104 IonicContact NE2-OE1 3.08Å; H69-K112 VanDerWaalsContact O-CE 3.31Å; H69-K112 WeakPolarHBondContact O-CE 3.46Å; H69-K112 PolarHBondContact O-NZ 3.4Å |
| 70 | E | 92.3 | Very high | 92 | Very high | 126 Ų | 126 | 76.8 Ų | 76.8 | 59% | 0.589 | 38% | 0.379 | S | S | * | . | | | trans | -88 | 164 | 178 | -65.8 | 173.8 | 119.4 | 0 | 0 | 112.5 | F64 F65 T68 | F64-E70 VanDerWaalsContact CD2-O 3.32Å; F64-E70 WeakPolarHBondContact CD2-O 3.45Å; F65-E70 PolarHBondContact N-O 3.15Å; T68-E70 WeakPolarHBondContact CB-OE2 3.38Å; T68-E70 PolarHBondContact O-N 3.32Å; T68-E70 VanDerWaalsContact O-N 3.16Å; T68-E70 PolarHBondContact OG1-OE2 3.4Å |
| 71 | T | 92.5 | Very high | 92.2 | Very high | 62 Ų | 62 | 75 Ų | 75 | 38% | 0.38 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 132.5 | 178.6 | -51.2 | 0 | 0 | 0 | 0 | 110.2 | Q62 V63 | Q62-T71 HydrophobicContact CG-CG2 3.45Å; Q62-T71 VanDerWaalsContact CG-CG2 3.45Å; V63-T71 WeakPolarHBondContact O-CA 3.3Å; V63-T71 WeakPolarHBondContact O-CG2 3.31Å |
| 72 | A | 91.6 | Very high | 92.1 | Very high | 34 Ų | 34 | 73 Ų | 73 | 28% | 0.281 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 174.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q62 V63 F65 | Q62-A72 CarbonylContact C-O 3.49Å; Q62-A72 WeakPolarHBondContact CA-O 3.25Å; V63-A72 PolarHBondContact N-O 2.95Å; V63-A72 PolarHBondContact O-N 3.29Å; F65-A72 HydrophobicContact CE2-CB 3.83Å |
| 73 | F | 92.3 | Very high | 92 | Very high | 131 Ų | 131 | 75.3 Ų | 75.3 | 58% | 0.575 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 106.3 | 174.7 | -69.6 | -85.5 | 0 | 0 | 0 | 110.8 | K60 Y61 Q62 | K60-F73 HydrophobicContact CB-CB 4.29Å; K60-F73 HydrophobicContact CD-CB 4.34Å; Y61-F73 WeakPolarHBondContact O-CA 3.11Å; Q62-F73 HydrophobicContact CB-CD1 4.04Å; Q62-F73 HydrophobicContact CB-CE1 3.68Å; Q62-F73 HydrophobicContact CB-CZ 4.29Å; Q62-F73 HydrophobicContact CG-CD1 4.41Å; Q62-F73 HydrophobicContact CG-CE1 3.93Å; Q62-F73 HydrophobicContact CG-CZ 4.02Å |
| 74 | L | 93.1 | Very high | 91.9 | Very high | 43 Ų | 43 | 80.8 Ų | 80.8 | 23% | 0.225 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 152.4 | -179.3 | -64.6 | -174.5 | 0 | 0 | 0 | 111.9 | K60 Y61 V63 F65 D78 | K60-L74 CarbonylContact C-O 3.04Å; K60-L74 VanDerWaalsContact CA-O 3.24Å; K60-L74 WeakPolarHBondContact CA-O 3.5Å; Y61-L74 PolarHBondContact N-O 3Å; Y61-L74 PolarHBondContact O-N 2.89Å; V63-L74 HydrophobicContact CB-CD1 4.25Å; V63-L74 HydrophobicContact CB-CG 4.37Å; V63-L74 HydrophobicContact CG1-CD1 4.31Å; V63-L74 HydrophobicContact CG2-CB 3.87Å; V63-L74 HydrophobicContact CG2-CD1 4.11Å; V63-L74 HydrophobicContact CG2-CG 4.11Å; F65-L74 HydrophobicContact CZ-CD1 4.08Å; L74-D78 HydrophobicContact CB-CB 4.27Å; L74-D78 HydrophobicContact CD1-CB 4.27Å; L74-D78 HydrophobicContact CD2-CB 4.37Å |
| 75 | G | 93.3 | Very high | 91.7 | Very high | 16 Ų | 16 | 79.2 Ų | 79.2 | 17% | 0.165 | 40% | 0.4 | C | S | . | . | | | trans | -84 | 165 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K77 D78 | G75-K77 PolarHBondContact O-N 2.96Å; G75-D78 PolarHBondContact N-OD2 2.64Å; G75-D78 PolarHBondContact O-N 2.7Å |
| 76 | P | 91.8 | Very high | 91.5 | Very high | 81 Ų | 81 | 79.1 Ų | 79.1 | 53% | 0.526 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -19.5 | 173.6 | -19.6 | 23.9 | 0 | 0 | 0 | 114.8 | N59 Y61 | N59-P76 WeakPolarHBondContact O-CD 3.33Å; Y61-P76 HydrophobicContact CE2-CG 4.04Å |
| 77 | K | 91.8 | Very high | 91.3 | Very high | 186 Ų | 186 | 83.5 Ų | 83.5 | 81% | 0.809 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -21.1 | -179.7 | -63.6 | -179.2 | 178.7 | 179.7 | 0 | 113.9 | G75 F80 | G75-K77 PolarHBondContact O-N 2.96Å; K77-F80 WeakPolarHBondContact O-CZ 3.19Å |
| 78 | D | 90.6 | Very high | 91 | Very high | 99 Ų | 99 | 89.7 Ų | 89.7 | 53% | 0.529 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -103.6 | 3.1 | -179.1 | -46.8 | -69.9 | 0 | 0 | 0 | 111.4 | L74 G75 | L74-D78 HydrophobicContact CB-CB 4.27Å; L74-D78 HydrophobicContact CD1-CB 4.27Å; L74-D78 HydrophobicContact CD2-CB 4.37Å; G75-D78 PolarHBondContact N-OD2 2.64Å; G75-D78 PolarHBondContact O-N 2.7Å |
| 79 | L | 91.3 | Very high | 90.6 | Very high | 63 Ų | 63 | 92.3 Ų | 92.3 | 33% | 0.33 | 45% | 0.453 | S | S | . | . | | | trans | -109.4 | 123.8 | -178.7 | -87.5 | 158.5 | 0 | 0 | 0 | 109.6 | Y61 V63 | Y61-L79 HydrophobicContact CD2-CD1 3.44Å; Y61-L79 VanDerWaalsContact CD2-CD1 3.44Å; Y61-L79 HydrophobicContact CE2-CD1 4.3Å; Y61-L79 HydrophobicContact CG-CD1 3.97Å; V63-L79 HydrophobicContact CG1-CD2 4.45Å; V63-L79 HydrophobicContact CG2-CD1 4Å; V63-L79 HydrophobicContact CG2-CD2 3.82Å; V63-L79 HydrophobicContact CG2-CG 4.18Å |
| 80 | F | 90.2 | Very high | 90.3 | Very high | 126 Ų | 126 | 90.7 Ų | 90.7 | 55% | 0.553 | 45% | 0.453 | S | S | * | . | | | trans | -124.1 | 138.3 | -179.2 | -59.3 | -82.6 | 0 | 0 | 0 | 109.1 | K77 Y82 F89 | K77-F80 WeakPolarHBondContact O-CZ 3.19Å; F80-Y82 PolarHBondContact O-N 3.4Å; F80-F89 HydrophobicContact CD2-CE2 4.48Å |
| 81 | P | 92.9 | Very high | 90.1 | Very high | 71 Ų | 71 | 90.7 Ų | 90.7 | 46% | 0.461 | 45% | 0.451 | S | S | . | . | | | trans | -54.5 | 130.9 | 170.1 | -26.7 | 37 | 0 | 0 | 0 | 110.4 | E83 E84 S85 | P81-E83 VanDerWaalsContact C-N 3.32Å; P81-E83 PolarHBondContact O-N 3.34Å; P81-E84 HydrophobicContact CB-CB 4.49Å; P81-E84 HydrophobicContact CB-CG 4.34Å; P81-E84 WeakPolarHBondContact CG-OE1 3.32Å; P81-S85 VanDerWaalsContact O-CB 3.25Å; P81-S85 WeakPolarHBondContact O-CB 3.28Å; P81-S85 PolarHBondContact O-N 2.7Å; P81-S85 PolarHBondContact O-OG 3.05Å |
| 82 | Y | 89.7 | Confident | 90 | Very high | 74 Ų | 74 | 93.1 Ų | 93.1 | 29% | 0.29 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | -176.9 | 173 | -105.8 | 0 | 0 | 0 | 111.7 | F80 E84 S85 K86 I105 E106 | F80-Y82 PolarHBondContact O-N 3.4Å; Y82-E84 PolarHBondContact O-N 3.38Å; Y82-S85 PolarHBondContact O-N 3.07Å; Y82-S85 VanDerWaalsContact O-N 3.07Å; Y82-S85 PolarHBondContact O-OG 3.42Å; Y82-K86 HydrophobicContact CE1-CB 4.5Å; Y82-K86 HydrophobicContact CE1-CD 4.21Å; Y82-K86 HydrophobicContact CE2-CB 4.11Å; Y82-K86 WeakPolarHBondContact O-CB 3.45Å; Y82-K86 PolarHBondContact O-N 3.11Å; Y82-I105 HydrophobicContact CD1-CD1 4.46Å; Y82-I105 HydrophobicContact CD2-CD1 3.73Å; Y82-I105 HydrophobicContact CE2-CD1 4.05Å; Y82-I105 HydrophobicContact CE2-CG2 3.76Å; Y82-I105 HydrophobicContact CG-CD1 3.95Å; Y82-E106 PolarHBondContact OH-OE1 2.95Å |
| 83 | E | 89.2 | Confident | 89.8 | Confident | 130 Ų | 130 | 94.9 Ų | 94.9 | 61% | 0.607 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.4 | -40.5 | -174.6 | -167.8 | 59.4 | -161.1 | 0 | 0 | 113.4 | P81 K86 | P81-E83 VanDerWaalsContact C-N 3.32Å; P81-E83 PolarHBondContact O-N 3.34Å; E83-K86 WeakPolarHBondContact OE1-CE 3.49Å; E83-K86 IonicContact OE1-NZ 2.64Å; E83-K86 PolarHBondContact OE1-NZ 2.89Å; E83-K86 WeakPolarHBondContact OE2-CE 3.49Å; E83-K86 IonicContact OE2-NZ 2.7Å; E83-K86 PolarHBondContact OE2-NZ 3.08Å |
| 84 | E | 91 | Very high | 89.9 | Confident | 140 Ų | 140 | 98.9 Ų | 98.9 | 65% | 0.654 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -75.1 | -24.3 | 175.4 | -65.1 | 171.2 | -133.1 | 0 | 0 | 113.5 | P81 Y82 | P81-E84 HydrophobicContact CB-CB 4.49Å; P81-E84 HydrophobicContact CB-CG 4.34Å; P81-E84 WeakPolarHBondContact CG-OE1 3.32Å; Y82-E84 PolarHBondContact O-N 3.38Å |
| 85 | S | 86.7 | Confident | 89.7 | Confident | 16 Ų | 16 | 105.1 Ų | 105.1 | 11% | 0.112 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -107.4 | -13.5 | -166.9 | 71.8 | 0 | 0 | 0 | 0 | 113.9 | P81 Y82 E87 K88 F89 | P81-S85 VanDerWaalsContact O-CB 3.25Å; P81-S85 WeakPolarHBondContact O-CB 3.28Å; P81-S85 PolarHBondContact O-N 2.7Å; P81-S85 PolarHBondContact O-OG 3.05Å; Y82-S85 PolarHBondContact O-N 3.07Å; Y82-S85 VanDerWaalsContact O-N 3.07Å; Y82-S85 PolarHBondContact O-OG 3.42Å; S85-E87 VanDerWaalsContact C-N 3.28Å; S85-E87 PolarHBondContact O-N 3.48Å; S85-K88 PolarHBondContact O-N 3.18Å; S85-F89 PolarHBondContact O-N 2.97Å |
| 86 | K | 88.8 | Confident | 89.7 | Confident | 83 Ų | 83 | 113.7 Ų | 113.7 | 36% | 0.361 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.9 | -32.4 | 175.5 | 69.5 | -172.9 | 178.1 | -175 | 0 | 113.7 | Y82 E83 K88 G90 | Y82-K86 HydrophobicContact CE1-CB 4.5Å; Y82-K86 HydrophobicContact CE1-CD 4.21Å; Y82-K86 HydrophobicContact CE2-CB 4.11Å; Y82-K86 WeakPolarHBondContact O-CB 3.45Å; Y82-K86 PolarHBondContact O-N 3.11Å; E83-K86 WeakPolarHBondContact OE1-CE 3.49Å; E83-K86 IonicContact OE1-NZ 2.64Å; E83-K86 PolarHBondContact OE1-NZ 2.89Å; E83-K86 WeakPolarHBondContact OE2-CE 3.49Å; E83-K86 IonicContact OE2-NZ 2.7Å; E83-K86 PolarHBondContact OE2-NZ 3.08Å; K86-K88 PolarHBondContact O-N 2.8Å; K86-G90 WeakPolarHBondContact O-CA 3.44Å; K86-G90 PolarHBondContact O-N 3.06Å |
| 87 | E | 88.5 | Confident | 89.7 | Confident | 142 Ų | 142 | 110.6 Ų | 110.6 | 66% | 0.664 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.7 | -29.3 | 174.7 | -159.8 | -142.8 | 138.3 | 0 | 0 | 112.6 | S85 K91 | S85-E87 VanDerWaalsContact C-N 3.28Å; S85-E87 PolarHBondContact O-N 3.48Å; E87-K91 WeakPolarHBondContact O-CE 3.42Å; E87-K91 PolarHBondContact O-NZ 3.37Å |
| 88 | K | 88 | Confident | 89.8 | Confident | 138 Ų | 138 | 104 Ų | 104 | 60% | 0.6 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -93.6 | -40.6 | -177.6 | -68 | 163.1 | -173.2 | 155 | 0 | 111.8 | S85 K86 | S85-K88 PolarHBondContact O-N 3.18Å; K86-K88 PolarHBondContact O-N 2.8Å |
| 89 | F | 84.6 | Confident | 89.9 | Confident | 112 Ų | 112 | 102.6 Ų | 102.6 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -109.5 | -14.3 | -173.6 | -56.4 | -55 | 0 | 0 | 0 | 115.3 | F80 S85 K91 F98 | F80-F89 HydrophobicContact CD2-CE2 4.48Å; S85-F89 PolarHBondContact O-N 2.97Å; F89-K91 PolarHBondContact O-N 2.76Å; F89-F98 VanDerWaalsContact O-CE1 3.31Å; F89-F98 WeakPolarHBondContact O-CE1 3.27Å; F89-F98 WeakPolarHBondContact O-CZ 3.42Å |
| 90 | G | 86.4 | Confident | 90 | Very high | 31 Ų | 31 | 104.6 Ų | 104.6 | 32% | 0.32 | 50% | 0.504 | S | S | . | . | | | trans | -68.4 | 9.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | K86 L102 | K86-G90 WeakPolarHBondContact O-CA 3.44Å; K86-G90 PolarHBondContact O-N 3.06Å; G90-L102 WeakPolarHBondContact O-CD1 3.38Å |
| 91 | K | 88.8 | Confident | 90.2 | Very high | 126 Ų | 126 | 99.1 Ų | 99.1 | 55% | 0.548 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -85.6 | 124.2 | 179.5 | -70.9 | 165.7 | 177 | 150.6 | 0 | 109.1 | E87 F89 N93 F98 | E87-K91 WeakPolarHBondContact O-CE 3.42Å; E87-K91 PolarHBondContact O-NZ 3.37Å; F89-K91 PolarHBondContact O-N 2.76Å; K91-N93 PolarHBondContact O-N 3.16Å; K91-F98 WeakPolarHBondContact O-CE1 3.44Å |
| 92 | P | 88.8 | Confident | 90.2 | Very high | 114 Ų | 114 | 97.3 Ų | 97.3 | 74% | 0.74 | 47% | 0.469 | S | S | * | . | | | trans | -50.2 | 124.3 | -176.9 | -31.1 | 36.1 | 0 | 0 | 0 | 113.4 | | |
| 93 | N | 89.3 | Confident | 90.4 | Very high | 71 Ų | 71 | 100.7 Ų | 100.7 | 38% | 0.38 | 48% | 0.481 | S | S | . | . | | | trans | -110.6 | 153.9 | -172.3 | -159 | -54.1 | 0 | 0 | 0 | 110.9 | K91 R95 F98 | K91-N93 PolarHBondContact O-N 3.16Å; N93-R95 PolarHBondContact O-N 2.77Å; N93-R95 PolarHBondContact OD1-N 2.97Å; N93-F98 HydrophobicContact CB-CB 4.03Å; N93-F98 HydrophobicContact CB-CD1 3.29Å; N93-F98 HydrophobicContact CB-CD2 3.99Å; N93-F98 HydrophobicContact CB-CE1 3.6Å; N93-F98 HydrophobicContact CB-CE2 4.27Å; N93-F98 HydrophobicContact CB-CG 3.48Å; N93-F98 VanDerWaalsContact CB-CG 3.48Å; N93-F98 HydrophobicContact CB-CZ 4.08Å |
| 94 | K | 93.2 | Very high | 90.7 | Very high | 215 Ų | 215 | 95 Ų | 95 | 94% | 0.935 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -75.7 | -3.2 | 177.6 | -69.9 | -170.4 | 174.7 | -175.5 | 0 | 114.3 | | |
| 95 | R | 89.6 | Confident | 90.7 | Very high | 173 Ų | 173 | 90.6 Ų | 90.6 | 65% | 0.653 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -72.8 | 139.1 | 174.3 | -74.1 | -168.1 | -81.3 | 173.2 | -5.4 | 110.9 | N93 F98 | N93-R95 PolarHBondContact O-N 2.77Å; N93-R95 PolarHBondContact OD1-N 2.97Å; R95-F98 HydrophobicContact CB-CB 4.38Å; R95-F98 VanDerWaalsContact O-CB 3.3Å; R95-F98 WeakPolarHBondContact O-CB 3.41Å; R95-F98 PolarHBondContact O-N 2.87Å |
| 96 | K | 93.1 | Very high | 90.9 | Very high | 196 Ų | 196 | 96.2 Ų | 96.2 | 85% | 0.852 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 147.3 | 172.8 | -66.5 | -171.8 | 176.3 | -172.3 | 0 | 110.3 | F98 | K96-F98 PolarHBondContact O-N 2.93Å; K96-F98 VanDerWaalsContact O-N 3.12Å |
| 97 | G | 91.6 | Very high | 91.1 | Very high | 16 Ų | 16 | 96.3 Ų | 96.3 | 17% | 0.165 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | -3.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | G67 G101 | G67-G97 WeakPolarHBondContact CA-O 3.19Å; G97-G101 PolarHBondContact O-N 2.99Å |
| 98 | F | 93.4 | Very high | 91.3 | Very high | 48 Ų | 48 | 92.9 Ų | 92.9 | 21% | 0.211 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -72.7 | -50.2 | -172.1 | -163.9 | -89.9 | 0 | 0 | 0 | 113.4 | F89 K91 N93 R95 K96 E100 G101 L102 | F89-F98 VanDerWaalsContact O-CE1 3.31Å; F89-F98 WeakPolarHBondContact O-CE1 3.27Å; F89-F98 WeakPolarHBondContact O-CZ 3.42Å; K91-F98 WeakPolarHBondContact O-CE1 3.44Å; N93-F98 HydrophobicContact CB-CB 4.03Å; N93-F98 HydrophobicContact CB-CD1 3.29Å; N93-F98 HydrophobicContact CB-CD2 3.99Å; N93-F98 HydrophobicContact CB-CE1 3.6Å; N93-F98 HydrophobicContact CB-CE2 4.27Å; N93-F98 HydrophobicContact CB-CG 3.48Å; N93-F98 VanDerWaalsContact CB-CG 3.48Å; N93-F98 HydrophobicContact CB-CZ 4.08Å; R95-F98 HydrophobicContact CB-CB 4.38Å; R95-F98 VanDerWaalsContact O-CB 3.3Å; R95-F98 WeakPolarHBondContact O-CB 3.41Å; R95-F98 PolarHBondContact O-N 2.87Å; K96-F98 PolarHBondContact O-N 2.93Å; K96-F98 VanDerWaalsContact O-N 3.12Å; F98-E100 PolarHBondContact O-N 2.83Å; F98-G101 PolarHBondContact O-N 2.79Å; F98-L102 HydrophobicContact CD1-CD1 4.02Å; F98-L102 HydrophobicContact CD1-CG 4.27Å; F98-L102 HydrophobicContact CE1-CD1 3.78Å; F98-L102 HydrophobicContact CE1-CD2 4.43Å; F98-L102 HydrophobicContact CE1-CG 4.1Å; F98-L102 WeakPolarHBondContact O-CG 3.34Å; F98-L102 PolarHBondContact O-N 2.97Å |
| 99 | S | 93.4 | Very high | 91.2 | Very high | 70 Ų | 70 | 89.7 Ų | 89.7 | 49% | 0.49 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.9 | -30.2 | 176.3 | -50.5 | 0 | 0 | 0 | 0 | 112.5 | W103 | S99-W103 PolarHBondContact O-N 2.87Å |
| 100 | E | 94.2 | Very high | 91.2 | Very high | 105 Ų | 105 | 89.2 Ų | 89.2 | 49% | 0.491 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.1 | -48.3 | 174.5 | -172.1 | 176 | -169.6 | 0 | 0 | 110.3 | F98 L102 W103 E104 | F98-E100 PolarHBondContact O-N 2.83Å; E100-L102 VanDerWaalsContact C-N 3.35Å; E100-L102 PolarHBondContact O-N 3.16Å; E100-W103 WeakPolarHBondContact O-CB 3.31Å; E100-W103 PolarHBondContact O-N 2.93Å; E100-W103 VanDerWaalsContact O-N 3.07Å; E100-E104 WeakPolarHBondContact O-CG 3.31Å; E100-E104 PolarHBondContact O-N 3Å |
| 101 | G | 94.2 | Very high | 91 | Very high | 10 Ų | 10 | 90.6 Ų | 90.6 | 10% | 0.103 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -66.7 | -30.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | F66 G97 F98 I105 | F66-G101 VanDerWaalsContact C-CA 3.5Å; G97-G101 PolarHBondContact O-N 2.99Å; F98-G101 PolarHBondContact O-N 2.79Å; G101-I105 WeakPolarHBondContact O-CG2 3.36Å; G101-I105 PolarHBondContact O-N 3.37Å; G101-I105 VanDerWaalsContact O-N 3.15Å |
| 102 | L | 93 | Very high | 90.1 | Very high | 34 Ų | 34 | 88.5 Ų | 88.5 | 18% | 0.178 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -66.4 | -37.6 | 169.4 | -71.7 | -179.5 | 0 | 0 | 0 | 112.1 | G90 F98 E100 I105 | G90-L102 WeakPolarHBondContact O-CD1 3.38Å; F98-L102 HydrophobicContact CD1-CD1 4.02Å; F98-L102 HydrophobicContact CD1-CG 4.27Å; F98-L102 HydrophobicContact CE1-CD1 3.78Å; F98-L102 HydrophobicContact CE1-CD2 4.43Å; F98-L102 HydrophobicContact CE1-CG 4.1Å; F98-L102 WeakPolarHBondContact O-CG 3.34Å; F98-L102 PolarHBondContact O-N 2.97Å; E100-L102 VanDerWaalsContact C-N 3.35Å; E100-L102 PolarHBondContact O-N 3.16Å; L102-I105 WeakPolarHBondContact O-CG2 3.43Å |
| 103 | W | 93.5 | Very high | 88.9 | Confident | 144 Ų | 144 | 86 Ų | 86 | 55% | 0.545 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -73.1 | -41.2 | 175.9 | -177.8 | 79.3 | 0 | 0 | 0 | 111.9 | S99 E100 E106 N107 N108 | S99-W103 PolarHBondContact O-N 2.87Å; E100-W103 WeakPolarHBondContact O-CB 3.31Å; E100-W103 PolarHBondContact O-N 2.93Å; E100-W103 VanDerWaalsContact O-N 3.07Å; W103-E106 PolarHBondContact O-N 3.44Å; W103-N107 VanDerWaalsContact CD1-ND2 3.34Å; W103-N107 HydrophobicContact CD2-CB 4.23Å; W103-N107 HydrophobicContact CH2-CB 4.39Å; W103-N107 HydrophobicContact CZ2-CB 3.93Å; W103-N107 PolarHBondContact NE1-ND2 3.23Å; W103-N107 WeakPolarHBondContact O-CB 3.34Å; W103-N107 PolarHBondContact O-N 3.37Å; W103-N107 PolarHBondContact O-ND2 3.28Å; W103-N108 WeakPolarHBondContact CH2-ND2 3.35Å; W103-N108 VanDerWaalsContact CZ3-ND2 3.33Å; W103-N108 WeakPolarHBondContact CZ3-ND2 3.24Å |
| 104 | E | 94.5 | Very high | 87.5 | Confident | 11 Ų | 11 | 88 Ų | 88 | 5% | 0.051 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -60.8 | -44 | 178 | -78.3 | 173.6 | -152.5 | 0 | 0 | 113.5 | F66 G67 H69 E100 E106 N107 N108 | F66-E104 VanDerWaalsContact CA-OE2 3.27Å; F66-E104 WeakPolarHBondContact CA-OE2 3.34Å; F66-E104 HydrophobicContact CB-CB 4.07Å; F66-E104 WeakPolarHBondContact CB-OE2 3.32Å; F66-E104 HydrophobicContact CD1-CB 3.74Å; F66-E104 WeakPolarHBondContact CD1-OE2 3.4Å; F66-E104 HydrophobicContact CG-CB 4.26Å; G67-E104 VanDerWaalsContact CA-OE1 3.28Å; G67-E104 WeakPolarHBondContact CA-OE1 3.4Å; G67-E104 PolarHBondContact N-OE1 3.02Å; G67-E104 PolarHBondContact N-OE2 3.2Å; H69-E104 IonicContact CE1-OE1 3.89Å; H69-E104 PolarHBondContact CE1-OE1 3Å; H69-E104 IonicContact CE1-OE2 3.88Å; H69-E104 IonicContact ND1-OE1 3.79Å; H69-E104 IonicContact NE2-OE1 3.08Å; E100-E104 WeakPolarHBondContact O-CG 3.31Å; E100-E104 PolarHBondContact O-N 3Å; E104-E106 PolarHBondContact O-N 3.21Å; E104-N107 PolarHBondContact O-N 3.19Å; E104-N108 CarbonylContact O-C 3.53Å; E104-N108 VanDerWaalsContact O-CA 3.31Å; E104-N108 WeakPolarHBondContact O-CA 3.48Å; E104-N108 PolarHBondContact O-N 3.33Å |
| 105 | I | 91 | Very high | 86 | Confident | 47 Ų | 47 | 81 Ų | 81 | 24% | 0.241 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -66.5 | -28.8 | -177.3 | -167.2 | 165 | 0 | 0 | 0 | 112.5 | F66 Y82 G101 L102 | F66-I105 HydrophobicContact CD2-CB 4.01Å; F66-I105 HydrophobicContact CD2-CD1 4.09Å; F66-I105 HydrophobicContact CD2-CG1 4.21Å; F66-I105 HydrophobicContact CE2-CB 4.08Å; F66-I105 HydrophobicContact CE2-CD1 3.83Å; F66-I105 HydrophobicContact CE2-CG1 3.85Å; F66-I105 HydrophobicContact CG-CB 4.35Å; F66-I105 HydrophobicContact CZ-CB 4.47Å; F66-I105 HydrophobicContact CZ-CG1 4.29Å; Y82-I105 HydrophobicContact CD1-CD1 4.46Å; Y82-I105 HydrophobicContact CD2-CD1 3.73Å; Y82-I105 HydrophobicContact CE2-CD1 4.05Å; Y82-I105 HydrophobicContact CE2-CG2 3.76Å; Y82-I105 HydrophobicContact CG-CD1 3.95Å; G101-I105 WeakPolarHBondContact O-CG2 3.36Å; G101-I105 PolarHBondContact O-N 3.37Å; G101-I105 VanDerWaalsContact O-N 3.15Å; L102-I105 WeakPolarHBondContact O-CG2 3.43Å |
| 106 | E | 91.4 | Very high | 84.5 | Confident | 134 Ų | 134 | 79.3 Ų | 79.3 | 63% | 0.626 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -83.5 | -37.2 | 175.7 | -66.8 | 178.2 | -179 | 0 | 0 | 112.9 | Y82 W103 E104 | Y82-E106 PolarHBondContact OH-OE1 2.95Å; W103-E106 PolarHBondContact O-N 3.44Å; E104-E106 PolarHBondContact O-N 3.21Å |
| 107 | N | 93.7 | Very high | 82.5 | Confident | 86 Ų | 86 | 78 Ų | 78 | 46% | 0.46 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -109.8 | -29.1 | -167.4 | -64.8 | -100.9 | 0 | 0 | 0 | 114.2 | W103 E104 | W103-N107 VanDerWaalsContact CD1-ND2 3.34Å; W103-N107 HydrophobicContact CD2-CB 4.23Å; W103-N107 HydrophobicContact CH2-CB 4.39Å; W103-N107 HydrophobicContact CZ2-CB 3.93Å; W103-N107 PolarHBondContact NE1-ND2 3.23Å; W103-N107 WeakPolarHBondContact O-CB 3.34Å; W103-N107 PolarHBondContact O-N 3.37Å; W103-N107 PolarHBondContact O-ND2 3.28Å; E104-N107 PolarHBondContact O-N 3.19Å |
| 108 | N | 91.1 | Very high | 80.7 | Confident | 70 Ų | 70 | 81.7 Ų | 81.7 | 37% | 0.374 | 46% | 0.455 | S | S | . | . | | | trans | -140.4 | 50.2 | -174.5 | -70.7 | -78.5 | 0 | 0 | 0 | 113.1 | W103 E104 T110 V111 | W103-N108 WeakPolarHBondContact CH2-ND2 3.35Å; W103-N108 VanDerWaalsContact CZ3-ND2 3.33Å; W103-N108 WeakPolarHBondContact CZ3-ND2 3.24Å; E104-N108 CarbonylContact O-C 3.53Å; E104-N108 VanDerWaalsContact O-CA 3.31Å; E104-N108 WeakPolarHBondContact O-CA 3.48Å; E104-N108 PolarHBondContact O-N 3.33Å; N108-T110 PolarHBondContact O-N 3.14Å; N108-V111 WeakPolarHBondContact O-CB 3.27Å; N108-V111 PolarHBondContact O-N 2.7Å |
| 109 | P | 87.3 | Confident | 78.7 | Confident | 71 Ų | 71 | 84.2 Ų | 84.2 | 46% | 0.461 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -17 | -174.3 | 25.7 | -36.2 | 0 | 0 | 0 | 114.3 | | |
| 110 | T | 84 | Confident | 76.4 | Confident | 101 Ų | 101 | 88.7 Ų | 88.7 | 62% | 0.62 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -11 | 178.6 | 49.5 | 0 | 0 | 0 | 0 | 114.5 | N108 K112 A113 | N108-T110 PolarHBondContact O-N 3.14Å; T110-K112 PolarHBondContact O-N 3.49Å; T110-A113 PolarHBondContact O-N 3.29Å |
| 111 | V | 81.5 | Confident | 73.9 | Confident | 61 Ų | 61 | 93.3 Ų | 93.3 | 37% | 0.37 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.7 | -37 | -166.5 | 66 | 0 | 0 | 0 | 0 | 114.7 | F64 F66 N108 | F64-V111 HydrophobicContact CE1-CG1 4.32Å; F66-V111 HydrophobicContact CD1-CG1 3.94Å; F66-V111 HydrophobicContact CE1-CG1 3.94Å; N108-V111 WeakPolarHBondContact O-CB 3.27Å; N108-V111 PolarHBondContact O-N 2.7Å |
| 112 | K | 70.3 | Confident | 71.4 | Confident | 82 Ų | 82 | 101.5 Ų | 101.5 | 36% | 0.357 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | 4.6 | 178.5 | -67.1 | -105.8 | -85.6 | -165.9 | 0 | 114.2 | F64 H69 T110 | F64-K112 HydrophobicContact CD1-CB 4.04Å; F64-K112 HydrophobicContact CD2-CB 4.09Å; F64-K112 HydrophobicContact CD2-CG 4.48Å; F64-K112 HydrophobicContact CE1-CB 3.76Å; F64-K112 HydrophobicContact CE1-CG 4.03Å; F64-K112 HydrophobicContact CE2-CB 3.86Å; F64-K112 HydrophobicContact CE2-CD 4.08Å; F64-K112 HydrophobicContact CE2-CG 3.78Å; F64-K112 HydrophobicContact CG-CB 4.21Å; F64-K112 HydrophobicContact CZ-CB 3.7Å; F64-K112 HydrophobicContact CZ-CD 4.27Å; F64-K112 HydrophobicContact CZ-CG 3.52Å; H69-K112 VanDerWaalsContact O-CE 3.31Å; H69-K112 WeakPolarHBondContact O-CE 3.46Å; H69-K112 PolarHBondContact O-NZ 3.4Å; T110-K112 PolarHBondContact O-N 3.49Å |
| 113 | A | 62.9 | Low | 68.6 | Low | 62 Ų | 62 | 104.8 Ų | 104.8 | 51% | 0.512 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.8 | -32.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T110 G115 Y116 | T110-A113 PolarHBondContact O-N 3.29Å; A113-G115 PolarHBondContact O-N 3.12Å; A113-Y116 PolarHBondContact O-N 3.1Å |
| 114 | S | 61.8 | Low | 66.1 | Low | 112 Ų | 112 | 104.3 Ų | 104.3 | 78% | 0.783 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -35.3 | -178.8 | 54.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 115 | G | 60.3 | Low | 63.5 | Low | 67 Ų | 67 | 110 Ų | 110 | 69% | 0.691 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -4.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | A113 | A113-G115 PolarHBondContact O-N 3.12Š|
| 116 | Y | 57.8 | Low | 61 | Low | 138 Ų | 138 | 116.2 Ų | 116.2 | 54% | 0.541 | 65% | 0.649 | S | S | . | * | | | trans | -140.1 | 69.1 | -171.8 | -129.7 | -76.3 | 0 | 0 | 0 | 112.4 | Q62 A113 S118 | Q62-Y116 VanDerWaalsContact NE2-CZ 3.28Å; Q62-Y116 PolarHBondContact NE2-OH 3.44Å; Q62-Y116 PolarHBondContact OE1-OH 3.05Å; A113-Y116 PolarHBondContact O-N 3.1Å; Y116-S118 PolarHBondContact O-N 3.15Å |
| 117 | Q | 52.7 | Low | 58.6 | Low | 168 Ų | 168 | 117.4 Ų | 117.4 | 79% | 0.785 | 65% | 0.654 | S | S | * | * | | | trans | -48.3 | 121.3 | 167 | -92.1 | -97.3 | -64.7 | 0 | 0 | 110.5 | S119 | Q117-S119 PolarHBondContact O-N 2.77Š|
| 118 | S | 52.1 | Low | 56 | Low | 94 Ų | 94 | 118.7 Ų | 118.7 | 66% | 0.657 | 67% | 0.668 | S | S | * | * | | | trans | -61.1 | 111.5 | 178.1 | 45.1 | 0 | 0 | 0 | 0 | 110 | Y116 Q120 | Y116-S118 PolarHBondContact O-N 3.15Å; S118-Q120 PolarHBondContact O-N 3.01Å |
| 119 | S | 51.3 | Low | 53.6 | Low | 101 Ų | 101 | 122.4 Ų | 122.4 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -76.6 | 50 | -174.2 | -68.5 | 0 | 0 | 0 | 0 | 113 | Q117 | Q117-S119 PolarHBondContact O-N 2.77Š|
| 120 | Q | 46.2 | Very low | 51.4 | Low | 164 Ų | 164 | 124.8 Ų | 124.8 | 77% | 0.766 | 70% | 0.698 | S | S | * | * | | | trans | -112.3 | 12.5 | 177.2 | -64.6 | -159.3 | -61.2 | 0 | 0 | 113.4 | S118 | S118-Q120 PolarHBondContact O-N 3.01Š|
| 121 | K | 41 | Very low | 49.3 | Very low | 203 Ų | 203 | 127.3 Ų | 127.3 | 88% | 0.883 | 70% | 0.703 | S | S | * | * | | | trans | -131.4 | 58.4 | 170.4 | -156.4 | 165.2 | -174.4 | 173.9 | 0 | 113.3 | | |
| 122 | K | 41.3 | Very low | 47.4 | Very low | 181 Ų | 181 | 130.2 Ų | 130.2 | 79% | 0.787 | 72% | 0.723 | S | S | * | * | | | trans | -131.1 | 84 | 153.6 | 53.6 | 178.1 | 179.2 | 179.4 | 0 | 110.5 | | |
| 123 | S | 35.6 | Very low | 45.9 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | | | trans | -52 | 144.5 | 151.8 | 44.7 | 0 | 0 | 0 | 0 | 109.1 | V125 | S123-V125 PolarHBondContact O-N 3Š|
| 124 | C | 39.7 | Very low | 44.8 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 91% | 0.905 | 76% | 0.755 | S | S | * | * | | | trans | -58.3 | 124.6 | 169.2 | -168 | 0 | 0 | 0 | 0 | 109 | | |
| 125 | V | 39.9 | Very low | 43.7 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | | | trans | -142.8 | 148.2 | 162.6 | 70.8 | 0 | 0 | 0 | 0 | 107.8 | S123 | S123-V125 PolarHBondContact O-N 3Š|
| 126 | E | 38.6 | Very low | 42.8 | Very low | 177 Ų | 177 | 143.8 Ų | 143.8 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | | | trans | -56.6 | 153.5 | -163.5 | -130.5 | 132.4 | 94.9 | 0 | 0 | 115.8 | | |
| 127 | E | 41.5 | Very low | 41.8 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | trans | -57.5 | 143.4 | 158.5 | -178.2 | 179.5 | 138.9 | 0 | 0 | 110.9 | | |
| 128 | P | 39.8 | Very low | 41.1 | Very low | 114 Ų | 114 | 141 Ų | 141 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | | | trans | -125.4 | 139.1 | 132.4 | 34.9 | -30.4 | 0 | 0 | 0 | 112.1 | | |
| 129 | E | 40.6 | Very low | 40.5 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | | | trans | -55.8 | 154.7 | 167.9 | -61.5 | 174.8 | 113.4 | 0 | 0 | 111.7 | | |
| 130 | P | 41 | Very low | 40.3 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | | | | -129.5 | 99.2 | 129.1 | 34.5 | -26.4 | 0 | 0 | 0 | 111.9 | | |
| 131 | E | 39.5 | Very low | 40.6 | Very low | 155 Ų | 155 | 143.8 Ų | 143.8 | 72% | 0.724 | 80% | 0.8 | S | S | * | * | | | trans | -61.1 | 139.3 | 141 | -67.6 | -160.8 | 141.8 | 0 | 0 | 108.3 | | |
| 132 | P | 42 | Very low | 41.1 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | | | | -132.1 | 145.1 | 112.2 | 36 | -29.1 | 0 | 0 | 0 | 112.9 | | |
| 133 | E | 37.8 | Very low | 41.1 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | | | trans | -67.4 | 159.6 | 178.4 | -63 | -172.5 | 108 | 0 | 0 | 114.1 | | |
| 134 | A | 40.6 | Very low | 41.6 | Very low | 89 Ų | 89 | 141.3 Ų | 141.3 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | | | trans | 56.1 | 115 | 147.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 135 | T | 37.6 | Very low | 41.7 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | | | | -149.8 | 132.6 | 121.5 | -5.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 136 | E | 42.2 | Very low | 42.1 | Very low | 203 Ų | 203 | 142.1 Ų | 142.1 | 95% | 0.949 | 80% | 0.8 | S | S | * | * | | | trans | -77.3 | 147.4 | -179 | -61.5 | -167.9 | 138.9 | 0 | 0 | 111.8 | | |
| 137 | G | 35.8 | Very low | 42 | Very low | 77 Ų | 77 | 137.4 Ų | 137.4 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | | | trans | -151.9 | 84.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 138 | D | 39.2 | Very low | 42.4 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | | | trans | -52.4 | 143.9 | 171.9 | 176.5 | -131.7 | 0 | 0 | 0 | 112.5 | | |
| 139 | G | 39.3 | Very low | 42.8 | Very low | 63 Ų | 63 | 135.4 Ų | 135.4 | 65% | 0.649 | 81% | 0.805 | S | S | * | * | | | trans | 168.5 | 53.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | K141 | G139-K141 PolarHBondContact O-N 2.62Š|
| 140 | D | 48 | Very low | 43.3 | Very low | 155 Ų | 155 | 135 Ų | 135 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | | | trans | -54.8 | 117.7 | 175.8 | -135.4 | -62.9 | 0 | 0 | 0 | 112.6 | | |
| 141 | K | 52 | Low | 43.8 | Very low | 199 Ų | 199 | 137.1 Ų | 137.1 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | | | trans | -143.7 | 67.3 | 171.8 | -147.6 | 169.3 | -169.1 | 175.1 | 0 | 115.1 | G139 G143 | G139-K141 PolarHBondContact O-N 2.62Å; K141-G143 PolarHBondContact O-N 3Å |
| 142 | K | 50.8 | Low | 44.5 | Very low | 203 Ų | 203 | 137 Ų | 137 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | | | trans | -42.8 | 116.2 | 157.3 | 177.7 | -177.1 | 178.6 | -178.7 | 0 | 111.3 | | |
| 143 | G | 40.7 | Very low | 44.9 | Very low | 65 Ų | 65 | 134.9 Ų | 134.9 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | | | trans | -153.7 | 32.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116 | K141 A145 | K141-G143 PolarHBondContact O-N 3Å; G143-A145 PolarHBondContact O-N 3.49Å; G143-A145 VanDerWaalsContact O-N 3.17Å |
| 144 | N | 46.7 | Very low | 45.8 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | | | trans | -71.5 | 105.7 | 166.9 | 180 | 29.2 | 0 | 0 | 0 | 109.5 | | |
| 145 | A | 42.2 | Very low | 46 | Very low | 88 Ų | 88 | 138 Ų | 138 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | | | trans | -135 | 105.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | G143 G147 | G143-A145 PolarHBondContact O-N 3.49Å; G143-A145 VanDerWaalsContact O-N 3.17Å; A145-G147 PolarHBondContact O-N 3.3Å |
| 146 | E | 47.5 | Very low | 46.7 | Very low | 194 Ų | 194 | 135.9 Ų | 135.9 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | | | trans | -36.7 | 115.5 | 166.8 | -166.3 | 166.2 | 101.1 | 0 | 0 | 112.7 | | |
| 147 | G | 37.1 | Very low | 47.1 | Very low | 78 Ų | 78 | 133.6 Ų | 133.6 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -123.1 | 57 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A145 S149 | A145-G147 PolarHBondContact O-N 3.3Å; G147-S149 PolarHBondContact O-N 2.79Å |
| 148 | S | 50.6 | Low | 48 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -76.3 | 113.8 | 172.5 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 149 | S | 47.2 | Very low | 48.9 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | | | trans | -139.3 | 107.8 | 161.5 | -157.3 | 0 | 0 | 0 | 0 | 110 | G147 | G147-S149 PolarHBondContact O-N 2.79Š|
| 150 | D | 51.3 | Low | 49.8 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | | | trans | -68.6 | 146.2 | 155.8 | -176.3 | -150.1 | 0 | 0 | 0 | 108.8 | | |
| 151 | E | 52.5 | Low | 49.7 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | -166.5 | 83.7 | 166.3 | -166.7 | 78.6 | 136.3 | 0 | 0 | 110.8 | G153 | E151-G153 PolarHBondContact O-N 3.17Å; E151-G153 VanDerWaalsContact O-N 3.16Å |
| 152 | E | 54.2 | Low | 49.8 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | | | trans | 53.7 | 46.7 | 135.6 | -63.5 | -100.4 | 90.1 | 0 | 0 | 118.8 | K154 | E152-K154 PolarHBondContact O-N 2.91Š|
| 153 | G | 49.3 | Very low | 49.9 | Very low | 78 Ų | 78 | 135.1 Ų | 135.1 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -70.2 | 43.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | E151 L155 | E151-G153 PolarHBondContact O-N 3.17Å; E151-G153 VanDerWaalsContact O-N 3.16Å; G153-L155 PolarHBondContact O-N 3.23Å |
| 154 | K | 57.2 | Low | 50.3 | Low | 157 Ų | 157 | 140.4 Ų | 140.4 | 68% | 0.683 | 78% | 0.782 | S | S | * | * | | | trans | -74.4 | 77.3 | -169.1 | -173.5 | 176.4 | 165 | -72.2 | 0 | 113.6 | E152 V156 | E152-K154 PolarHBondContact O-N 2.91Å; K154-V156 PolarHBondContact O-N 3.18Å; K154-V156 VanDerWaalsContact O-N 3.11Å |
| 155 | L | 45.1 | Very low | 50.3 | Low | 168 Ų | 168 | 139.1 Ų | 139.1 | 88% | 0.88 | 78% | 0.775 | S | S | * | * | | | trans | -65.8 | 108.1 | 167.8 | -68.5 | 177.4 | 0 | 0 | 0 | 110.4 | G153 I157 | G153-L155 PolarHBondContact O-N 3.23Å; L155-I157 PolarHBondContact O-N 3.24Å |
| 156 | V | 51.3 | Low | 50.4 | Low | 100 Ų | 100 | 144.1 Ų | 144.1 | 61% | 0.606 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 120.7 | 175.5 | 172.6 | 0 | 0 | 0 | 0 | 109.3 | K154 D158 | K154-V156 PolarHBondContact O-N 3.18Å; K154-V156 VanDerWaalsContact O-N 3.11Å; V156-D158 PolarHBondContact O-N 3.16Å |
| 157 | I | 52.4 | Low | 50.4 | Low | 156 Ų | 156 | 143.9 Ų | 143.9 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 117.8 | 162.3 | -62.1 | 171.4 | 0 | 0 | 0 | 106.4 | L155 E159 | L155-I157 PolarHBondContact O-N 3.24Å; I157-E159 PolarHBondContact O-N 3.22Å |
| 158 | D | 52.8 | Low | 50.5 | Low | 144 Ų | 144 | 144.2 Ų | 144.2 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 116.9 | 174 | -127.6 | -61.3 | 0 | 0 | 0 | 109.3 | V156 P160 | V156-D158 PolarHBondContact O-N 3.16Å; D158-P160 WeakPolarHBondContact O-CD 3.01Å |
| 159 | E | 59.3 | Low | 50.4 | Low | 160 Ų | 160 | 143 Ų | 143 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | -101.4 | 97.5 | -177.4 | -174.6 | -171.3 | 118.4 | 0 | 0 | 110.2 | I157 A161 | I157-E159 PolarHBondContact O-N 3.22Å; E159-A161 VanDerWaalsContact C-N 3.32Å; E159-A161 PolarHBondContact O-N 2.57Å |
| 160 | P | 57.1 | Low | 50.3 | Low | 123 Ų | 123 | 146.2 Ų | 146.2 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | | | trans | -72.2 | 89.7 | 168.1 | 29.2 | -33.8 | 0 | 0 | 0 | 109.6 | D158 | D158-P160 WeakPolarHBondContact O-CD 3.01Š|
| 161 | A | 45.9 | Very low | 50.7 | Low | 72 Ų | 72 | 148.8 Ų | 148.8 | 60% | 0.595 | 79% | 0.792 | S | S | * | * | | | trans | -57.5 | 145 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E159 E163 | E159-A161 VanDerWaalsContact C-N 3.32Å; E159-A161 PolarHBondContact O-N 2.57Å; A161-E163 PolarHBondContact O-N 3.08Å |
| 162 | K | 54 | Low | 50.8 | Low | 210 Ų | 210 | 152.5 Ų | 152.5 | 91% | 0.913 | 80% | 0.799 | S | S | * | * | | | trans | -85.2 | 92.1 | 165.4 | -78.9 | -177 | 174.2 | 175.9 | 0 | 110.6 | | |
| 163 | E | 52.7 | Low | 50.7 | Low | 190 Ų | 190 | 156.6 Ų | 156.6 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | | | trans | -99.8 | 164.8 | 161.9 | -164.5 | 141.4 | 97.4 | 0 | 0 | 112.3 | A161 | A161-E163 PolarHBondContact O-N 3.08Š|
| 164 | K | 49 | Very low | 50.3 | Low | 175 Ų | 175 | 157.4 Ų | 157.4 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | | | trans | -117.9 | 143.3 | -156.5 | -59.8 | 168.4 | -176.9 | 163.7 | 0 | 112 | | |
| 165 | N | 48 | Very low | 49.5 | Very low | 141 Ų | 141 | 153.5 Ų | 153.5 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | | | trans | 59.6 | 132.7 | 140.9 | 99.2 | 131.4 | 0 | 0 | 0 | 120.8 | | |
| 166 | E | 45 | Very low | 49.3 | Very low | 193 Ų | 193 | 152.5 Ų | 152.5 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | | | | -142.4 | 161.5 | 125.7 | -170 | 158.9 | 87.8 | 0 | 0 | 109.2 | | |
| 167 | K | 46.1 | Very low | 49.1 | Very low | 190 Ų | 190 | 154.4 Ų | 154.4 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | | | trans | -108.4 | 91.3 | -175.8 | -68.3 | 176.1 | -178.7 | 169.7 | 0 | 112.1 | | |
| 168 | G | 40.3 | Very low | 48.9 | Very low | 84 Ų | 84 | 154.7 Ų | 154.7 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | | | trans | -67.1 | 140.2 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 169 | A | 46.9 | Very low | 48.6 | Very low | 92 Ų | 92 | 156.3 Ų | 156.3 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | | | trans | -109.3 | 134.1 | -166.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 170 | L | 46.3 | Very low | 47.5 | Very low | 181 Ų | 181 | 155.1 Ų | 155.1 | 95% | 0.948 | 82% | 0.816 | S | S | * | * | | | trans | -146.1 | 134.6 | 142.3 | -144.2 | 69.6 | 0 | 0 | 0 | 110.2 | | |
| 171 | K | 59.9 | Low | 46.9 | Very low | 195 Ų | 195 | 154.5 Ų | 154.5 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | | | trans | -104.8 | 137.1 | -175.9 | -63.6 | 174 | -179 | 171.8 | 0 | 110.6 | | |
| 172 | R | 53.4 | Low | 47 | Very low | 240 Ų | 240 | 155.3 Ų | 155.3 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | | | | -147.1 | 159.9 | 126.8 | -68.7 | -143.8 | -45.7 | 154.8 | 7.1 | 110 | | |
| 173 | R | 51.9 | Low | 46.3 | Very low | 240 Ų | 240 | 154.6 Ų | 154.6 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | | | trans | -106.7 | -175.7 | 167.9 | -57.2 | -69.6 | -161.1 | 177.3 | 4.5 | 107.4 | | |
| 174 | A | 41.6 | Very low | 45.8 | Very low | 95 Ų | 95 | 156.6 Ų | 156.6 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | cis | -159.6 | 164.4 | 9.4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 175 | G | 41.2 | Very low | 45.6 | Very low | 75 Ų | 75 | 153.7 Ų | 153.7 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | trans | 70.2 | 175.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 176 | D | 40.5 | Very low | 45.4 | Very low | 147 Ų | 147 | 154 Ų | 154 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | | | cis | -153.7 | 176.7 | -15.6 | -158.4 | 11.9 | 0 | 0 | 0 | 110.3 | | |
| 177 | L | 46.6 | Very low | 45 | Very low | 140 Ų | 140 | 152.3 Ų | 152.3 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | | | trans | -26.6 | 135.5 | 169 | -62 | 156.7 | 0 | 0 | 0 | 114.4 | | |
| 178 | L | 47.3 | Very low | 44.5 | Very low | 161 Ų | 161 | 147.2 Ų | 147.2 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | | | | -168.4 | 167.9 | 71.5 | -93.7 | 178.3 | 0 | 0 | 0 | 114.3 | | |
| 179 | E | 48 | Very low | 44.3 | Very low | 179 Ų | 179 | 152.3 Ų | 152.3 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | | | trans | -85.1 | 146.5 | 166 | 175 | -178.2 | -179.2 | 0 | 0 | 111.2 | | |
| 180 | D | 35.9 | Very low | 43.8 | Very low | 134 Ų | 134 | 154.4 Ų | 154.4 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | | | trans | 163.2 | 159 | 136.8 | -172.9 | 36.2 | 0 | 0 | 0 | 112 | P182 | D180-P182 WeakPolarHBondContact OD2-CD 3.2Š|
| 181 | S | 43.3 | Very low | 43.8 | Very low | 111 Ų | 111 | 150.7 Ų | 150.7 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | | | trans | -155.6 | 118 | 167.7 | -71.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 182 | P | 48.6 | Very low | 42.4 | Very low | 89 Ų | 89 | 150.4 Ų | 150.4 | 58% | 0.578 | 78% | 0.778 | S | S | * | * | | | | -157.8 | 160.6 | 125.8 | 35.4 | -16.1 | 0 | 0 | 0 | 119.3 | D180 | D180-P182 WeakPolarHBondContact OD2-CD 3.2Š|
| 183 | K | 39.3 | Very low | 41.4 | Very low | 195 Ų | 195 | 142 Ų | 142 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | | | trans | 58 | 108.1 | 138.6 | -65.5 | 163 | -170.5 | 165.3 | 0 | 122.6 | | |
| 184 | R | 41.8 | Very low | 40.7 | Very low | 231 Ų | 231 | 139.4 Ų | 139.4 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | | | | 30.1 | 123.8 | 114.9 | -168.2 | -173.5 | -157.7 | 151.2 | 6.2 | 121.6 | | |
| 185 | P | 46.3 | Very low | 40.3 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | | | | -112.1 | 172.3 | 124.6 | 35.4 | -30.3 | 0 | 0 | 0 | 111.2 | | |
| 186 | K | 43.9 | Very low | 40.2 | Very low | 149 Ų | 149 | 144.5 Ų | 144.5 | 65% | 0.648 | 75% | 0.749 | S | S | * | * | | | cis | 85.5 | 111.2 | -10.9 | -173 | 57.4 | 157.8 | 136.5 | 0 | 119.9 | | |
| 187 | E | 35.3 | Very low | 39.9 | Very low | 156 Ų | 156 | 146.1 Ų | 146.1 | 73% | 0.729 | 75% | 0.752 | S | S | * | * | | | trans | 64.3 | 157.3 | 167.4 | -87.2 | 156.9 | 157.9 | 0 | 0 | 117.3 | | |
| 188 | A | 36.7 | Very low | 39.3 | Very low | 84 Ų | 84 | 144.3 Ų | 144.3 | 69% | 0.694 | 76% | 0.758 | S | S | * | * | | | cis | -144.8 | 171.6 | -23.1 | 0 | 0 | 0 | 0 | 0 | 105.4 | | |
| 189 | E | 35.8 | Very low | 38.6 | Very low | 190 Ų | 190 | 141 Ų | 141 | 89% | 0.888 | 75% | 0.753 | S | S | * | * | | | | 170.5 | 179.5 | 56.5 | -169.9 | 159.3 | 100.9 | 0 | 0 | 106 | | |
| 190 | N | 36.3 | Very low | 37.7 | Very low | 136 Ų | 136 | 138 Ų | 138 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | | | trans | -120.6 | 143.5 | 177.6 | -167.9 | 23.3 | 0 | 0 | 0 | 109.5 | | |
| 191 | P | 45.7 | Very low | 37.8 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | | | | -154 | 155.5 | 100.4 | 39.7 | -21.7 | 0 | 0 | 0 | 118 | | |
| 192 | E | 31 | Very low | 37.3 | Very low | 189 Ų | 189 | 142 Ų | 142 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | | | trans | 35.7 | 153.5 | 135.3 | -61.9 | 174.7 | 87.7 | 0 | 0 | 124.6 | | |
| 193 | G | 31.8 | Very low | 36.7 | Very low | 63 Ų | 63 | 141 Ų | 141 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | | | trans | 119.6 | 102.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 194 | E | 37.1 | Very low | 36.6 | Very low | 186 Ų | 186 | 141 Ų | 141 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | | | | 58.4 | 132.7 | 69.2 | -62.1 | -167.9 | 132.1 | 0 | 0 | 113.9 | | |
| 195 | E | 34.6 | Very low | 36.4 | Very low | 131 Ų | 131 | 141 Ų | 141 | 61% | 0.612 | 76% | 0.763 | S | S | * | * | | | cis | -169.7 | -175.5 | -15.4 | 55.9 | 164.7 | 168 | 0 | 0 | 109.3 | | |
| 196 | K | 39.3 | Very low | 36.3 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 63% | 0.63 | 76% | 0.759 | S | S | * | * | | | trans | 67.6 | 116.9 | 166.8 | -71.5 | 171 | 170.6 | 82.8 | 0 | 117.2 | | |
| 197 | E | 33.9 | Very low | 35.8 | Very low | 181 Ų | 181 | 140.6 Ų | 140.6 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | | | | 77.4 | 111.9 | 74.9 | -78.2 | -160.2 | 112.1 | 0 | 0 | 115.5 | | |
| 198 | A | 33.3 | Very low | 35.5 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | | | | 175.9 | 152.2 | 115.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 199 | A | 32.9 | Very low | 35.3 | Very low | 90 Ų | 90 | 142.5 Ų | 142.5 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | | | trans | -36.5 | 159.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 200 | T | 28.6 | Very low | 35.7 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | | | | -173.7 | 139.5 | 60.8 | -54.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 201 | L | 37.7 | Very low | 35.7 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | 50.2 | 107.3 | 159.3 | -67.1 | 170.5 | 0 | 0 | 0 | 118.3 | | |
| 202 | E | 34.7 | Very low | 35.6 | Very low | 178 Ų | 178 | 144.2 Ų | 144.2 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | | | | 90.6 | 124.5 | 87.5 | -84.3 | -63.5 | 134.4 | 0 | 0 | 113.4 | | |
| 203 | G | 34.6 | Very low | 36.1 | Very low | 70 Ų | 70 | 143.7 Ų | 143.7 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | | | trans | 160.8 | 52.3 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 204 | E | 37.3 | Very low | 36.4 | Very low | 195 Ų | 195 | 147.3 Ų | 147.3 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | | | trans | 53 | 87.7 | 160.5 | -58.7 | -172.5 | 117.1 | 0 | 0 | 118.2 | | |
| 205 | R | 36.9 | Very low | 36.8 | Very low | 229 Ų | 229 | 144 Ų | 144 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | | | trans | -72.7 | 174.3 | 159.1 | -109.1 | -172.3 | 170.3 | -148.8 | 0.2 | 111.7 | | |
| 206 | P | 44.3 | Very low | 36.9 | Very low | 102 Ų | 102 | 144.3 Ų | 144.3 | 66% | 0.662 | 78% | 0.777 | S | S | * | * | | | cis | -116.1 | -155.5 | -28 | 24.5 | -0.1 | 0 | 0 | 0 | 108 | | |
| 207 | L | 34.8 | Very low | 37.8 | Very low | 154 Ų | 154 | 142.7 Ų | 142.7 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | | | cis | -142.2 | 153.9 | 8 | -85.1 | 171.5 | 0 | 0 | 0 | 105.7 | | |
| 208 | L | 29.4 | Very low | 37.7 | Very low | 134 Ų | 134 | 139.6 Ų | 139.6 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | | | cis | 67.5 | 95.6 | 20.6 | -64.1 | 179.2 | 0 | 0 | 0 | 115.9 | | |
| 209 | M | 31.1 | Very low | 38.2 | Very low | 146 Ų | 146 | 143.3 Ų | 143.3 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | | | | 84.4 | 125.6 | 72.8 | 178.4 | -179.9 | 162.9 | 0 | 0 | 112.7 | | |
| 210 | E | 44.3 | Very low | 38.9 | Very low | 167 Ų | 167 | 145.3 Ų | 145.3 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | | | trans | -7.3 | 145.1 | 155.7 | -48.8 | 177.8 | 141 | 0 | 0 | 118.8 | | |
| 211 | V | 36.5 | Very low | 39.2 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 76% | 0.758 | 79% | 0.786 | S | S | * | * | | | | -171.9 | 125 | 118.8 | 137.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 212 | E | 43.8 | Very low | 39.3 | Very low | 173 Ų | 173 | 142.3 Ų | 142.3 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | | | trans | -70.5 | 147.4 | 159.1 | -69.3 | 172.9 | 48.5 | 0 | 0 | 110.6 | | |
| 213 | K | 42 | Very low | 39.4 | Very low | 178 Ų | 178 | 136.7 Ų | 136.7 | 77% | 0.774 | 78% | 0.782 | S | S | * | * | | | | -179 | 133 | 127.3 | -96.6 | 143.7 | -159.9 | 163.9 | 0 | 115.4 | | |
| 214 | N | 36.6 | Very low | 39.3 | Very low | 139 Ų | 139 | 145.9 Ų | 145.9 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | | | trans | 65.3 | 115.8 | 136.6 | 94.1 | 146.2 | 0 | 0 | 0 | 122.7 | | |
| 215 | S | 45.4 | Very low | 38.8 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | | 68.1 | 124.1 | 128.8 | -53.4 | 0 | 0 | 0 | 0 | 123.1 | | |
| 216 | T | 37.4 | Very low | 38.9 | Very low | 137 Ų | 137 | 137 Ų | 137 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | | | trans | -69.9 | 179.7 | 164.7 | 21.9 | 0 | 0 | 0 | 0 | 114 | | |
| 217 | P | 58.3 | Low | 38.9 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | | | cis | -131.1 | 172.8 | -4.1 | 38.8 | -22.9 | 0 | 0 | 0 | 115.9 | | |
| 218 | S | 31.9 | Very low | 39 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | | | trans | 149 | 135.8 | 133.8 | -64.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 219 | E | 44.8 | Very low | 39.4 | Very low | 181 Ų | 181 | 137.8 Ų | 137.8 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | trans | -99.2 | 169.3 | 156.1 | -67 | -170.5 | 77.5 | 0 | 0 | 110.1 | | |
| 220 | P | 46.7 | Very low | 39.8 | Very low | 133 Ų | 133 | 140 Ų | 140 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | | | | -155.4 | 138.3 | 95 | 36.6 | -16.6 | 0 | 0 | 0 | 118.6 | | |
| 221 | G | 33.8 | Very low | 39.5 | Very low | 71 Ų | 71 | 140.5 Ų | 140.5 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | | | trans | 81.8 | 166 | 146.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 222 | S | 40.8 | Very low | 39.7 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 92% | 0.923 | 80% | 0.795 | S | S | * | * | | | cis | -172.2 | 154.2 | -7.7 | -171.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 223 | G | 36.4 | Very low | 39.6 | Very low | 60 Ų | 60 | 142 Ų | 142 | 62% | 0.619 | 79% | 0.794 | S | S | * | * | | | cis | 162.7 | -168.9 | 0.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 224 | R | 33.2 | Very low | 39.5 | Very low | 263 Ų | 263 | 142.1 Ų | 142.1 | 99% | 0.992 | 80% | 0.797 | S | S | * | * | | | trans | 78.7 | 130.7 | -174.7 | -60.9 | -176.4 | 171.7 | -89.2 | -2.3 | 116.5 | | |
| 225 | G | 26.9 | Very low | 39.8 | Very low | 73 Ų | 73 | 144.8 Ų | 144.8 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | | | cis | -175.7 | 161.4 | -5.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 226 | L | 38 | Very low | 39.5 | Very low | 164 Ų | 164 | 147.8 Ų | 147.8 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | | | trans | -83.5 | 163.1 | 175.6 | -73.6 | 75.9 | 0 | 0 | 0 | 111.6 | | |
| 227 | P | 44.4 | Very low | 39.8 | Very low | 110 Ų | 110 | 148.5 Ų | 148.5 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | | | | -135.1 | 176 | 81.8 | 19.2 | 3.9 | 0 | 0 | 0 | 113.6 | | |
| 228 | Q | 37.3 | Very low | 39.1 | Very low | 143 Ų | 143 | 152.1 Ų | 152.1 | 67% | 0.668 | 81% | 0.807 | S | S | * | * | | | cis | -171.2 | 155.8 | -22.8 | -105.5 | 176.5 | -109.3 | 0 | 0 | 108.8 | | |
| 229 | E | 37.5 | Very low | 39.6 | Very low | 155 Ų | 155 | 154.1 Ų | 154.1 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | | | trans | 55.2 | 160.9 | 163.9 | -76.6 | 97.6 | -102.5 | 0 | 0 | 119.6 | | |
| 230 | E | 38.9 | Very low | 39.3 | Very low | 191 Ų | 191 | 149.4 Ų | 149.4 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | | | cis | -123.7 | 156.5 | 20.3 | -61.8 | 170.5 | 154.5 | 0 | 0 | 114 | | |
| 231 | E | 38 | Very low | 39 | Very low | 179 Ų | 179 | 146.9 Ų | 146.9 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | | | trans | -93 | 167.2 | 163.3 | -65.1 | 173.8 | 129.3 | 0 | 0 | 108.2 | | |
| 232 | E | 41.1 | Very low | 39.6 | Very low | 161 Ų | 161 | 152.4 Ų | 152.4 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | | | | 179.9 | 151.4 | 76.7 | -89.7 | 174.6 | 155.1 | 0 | 0 | 110.8 | | |
| 233 | E | 41.7 | Very low | 39.6 | Very low | 168 Ų | 168 | 154.5 Ų | 154.5 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | 61.2 | 159.3 | 141.2 | -62.1 | -179.2 | 158.2 | 0 | 0 | 121.7 | | |
| 234 | E | 40.6 | Very low | 40 | Very low | 180 Ų | 180 | 159 Ų | 159 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | | | cis | -130.6 | 157.7 | 5.4 | -69.1 | 175.5 | 131.3 | 0 | 0 | 112.5 | | |
| 235 | E | 41.8 | Very low | 40.8 | Very low | 195 Ų | 195 | 150.8 Ų | 150.8 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | | | trans | -122.1 | 115.4 | 155.8 | -83.7 | -166.4 | 153.6 | 0 | 0 | 109.3 | | |
| 236 | E | 40.3 | Very low | 41.6 | Very low | 181 Ų | 181 | 156.5 Ų | 156.5 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | | | trans | -168.6 | 159.8 | 163 | -116.7 | 174.3 | -164.3 | 0 | 0 | 108.9 | | |
| 237 | E | 42.4 | Very low | 42.2 | Very low | 152 Ų | 152 | 152.6 Ų | 152.6 | 71% | 0.71 | 78% | 0.782 | S | S | * | * | | | cis | -146.2 | 156.5 | -1.2 | -168.5 | -178.7 | -163.4 | 0 | 0 | 109.1 | | |
| 238 | E | 43.9 | Very low | 42.7 | Very low | 187 Ų | 187 | 153.9 Ų | 153.9 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | | | trans | -104.2 | 113.5 | 164.2 | 176.4 | -169.2 | -169.8 | 0 | 0 | 109.5 | | |
| 239 | E | 42 | Very low | 42.7 | Very low | 157 Ų | 157 | 150.1 Ų | 150.1 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | trans | -151.7 | 159.5 | 162.6 | -103.5 | -58 | 175.8 | 0 | 0 | 114.1 | | |
| 240 | A | 40.1 | Very low | 43.2 | Very low | 82 Ų | 82 | 149.2 Ų | 149.2 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | trans | 1.3 | 163.6 | 161 | 0 | 0 | 0 | 0 | 0 | 124.4 | | |
| 241 | A | 40.3 | Very low | 43.8 | Very low | 80 Ų | 80 | 149.5 Ų | 149.5 | 66% | 0.661 | 78% | 0.781 | S | S | * | * | | | cis | 179.4 | 139.7 | -28.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 242 | K | 45.2 | Very low | 44.3 | Very low | 187 Ų | 187 | 148.4 Ų | 148.4 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | | | trans | 63.1 | 169.1 | 158.3 | -64.2 | 172.7 | -179.2 | 175.9 | 0 | 117.8 | | |
| 243 | E | 41.1 | Very low | 44.9 | Very low | 177 Ų | 177 | 148.9 Ų | 148.9 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | | | trans | 38.3 | 117.8 | 161.7 | -74 | 164.3 | 125.8 | 0 | 0 | 116.9 | | |
| 244 | D | 45 | Very low | 45.6 | Very low | 154 Ų | 154 | 148.9 Ų | 148.9 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | | | | -135.6 | 167.8 | 62.4 | -160.2 | -113.7 | 0 | 0 | 0 | 115.2 | | |
| 245 | A | 50.8 | Low | 46.8 | Very low | 90 Ų | 90 | 146 Ų | 146 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | | | trans | -145.7 | 99.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 246 | E | 43.8 | Very low | 47.3 | Very low | 193 Ų | 193 | 148.8 Ų | 148.8 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | | | trans | -139.7 | 165.7 | 157.1 | -136.5 | 178.4 | 76.5 | 0 | 0 | 113.3 | | |
| 247 | A | 49.6 | Very low | 47.6 | Very low | 82 Ų | 82 | 147.2 Ų | 147.2 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | | | trans | -106.9 | -177.2 | -165.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 248 | P | 54.9 | Low | 47.9 | Very low | 137 Ų | 137 | 146.9 Ų | 146.9 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | | | trans | -75.5 | 139.3 | -158.9 | 30.4 | -35.7 | 0 | 0 | 0 | 114.4 | | |
| 249 | G | 38.2 | Very low | 48.1 | Very low | 64 Ų | 64 | 144.7 Ų | 144.7 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | | | trans | -141.5 | 102.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 250 | I | 48.3 | Very low | 48.5 | Very low | 136 Ų | 136 | 143.9 Ų | 143.9 | 70% | 0.697 | 81% | 0.805 | S | S | * | * | | | trans | 54.9 | 132.5 | 140.1 | 57.3 | 162.4 | 0 | 0 | 0 | 123 | | |
| 251 | R | 51.1 | Low | 49 | Very low | 198 Ų | 198 | 147.8 Ų | 147.8 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | | | trans | 80 | 94.8 | 143.9 | -70.6 | 162.6 | -172.3 | 138.4 | 4.2 | 119.5 | | |
| 252 | D | 49.3 | Very low | 49.6 | Very low | 155 Ų | 155 | 152.3 Ų | 152.3 | 83% | 0.829 | 82% | 0.823 | S | S | * | * | | | | 27.5 | 119.7 | 108.9 | -44.5 | -67.9 | 0 | 0 | 0 | 117 | | |
| 253 | H | 53.3 | Low | 49.9 | Very low | 171 Ų | 171 | 149.9 Ų | 149.9 | 79% | 0.792 | 82% | 0.824 | S | S | * | * | | | trans | -123.3 | 136.4 | 156.2 | -155.4 | -67.6 | 0 | 0 | 0 | 109.8 | | |
| 254 | E | 55.4 | Low | 50.6 | Low | 169 Ų | 169 | 147.8 Ų | 147.8 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | | | trans | -69.3 | 157.1 | -178.5 | 68.4 | -153 | 130.2 | 0 | 0 | 112.8 | | |
| 255 | S | 66.4 | Low | 51.1 | Low | 119 Ų | 119 | 147.3 Ų | 147.3 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | | | trans | -111.1 | 151.7 | 168.3 | -68.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 256 | L | 51.9 | Low | 51.1 | Low | 253 Ų | 253 | 152.5 Ų | 152.5 | 100% | 1.325 | 83% | 0.831 | S | S | * | * | | | trans | -61.7 | 0 | -175.4 | -66.6 | 152.6 | 0 | 0 | 0 | 114.3 | | |