| 1 | M | 59.3 | Low | 68.2 | Low | 194 Ų | 194 | 132.3 Ų | 132.3 | 96% | 0.956 | 65% | 0.652 | S | S | * | * | | | | 0 | -84.6 | 0 | -70.7 | -178.2 | 175.1 | 0 | 0 | 112.5 | I3 S4 I5 | M1-I3 VanDerWaalsContact C-N 3.32Å; M1-I3 PolarHBondContact O-N 3.33Å; M1-I3 VanDerWaalsContact O-N 3.14Å; M1-S4 WeakPolarHBondContact O-CA 3.45Å; M1-S4 VanDerWaalsContact O-CB 3.29Å; M1-S4 WeakPolarHBondContact O-CB 2.94Å; M1-S4 PolarHBondContact O-N 2.61Å; M1-S4 PolarHBondContact O-OG 2.67Å; M1-I5 PolarHBondContact O-N 3.3Å; M1-I5 VanDerWaalsContact O-N 3.08Å |
| 2 | K | 57.4 | Low | 68.3 | Low | 186 Ų | 186 | 124.9 Ų | 124.9 | 81% | 0.809 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -53.3 | -40.3 | -172.3 | -69.3 | -173.7 | 178.2 | -179.2 | 0 | 115.2 | I5 L6 | K2-I5 PolarHBondContact O-N 3.32Å; K2-L6 PolarHBondContact O-N 3.47Å; K2-L6 VanDerWaalsContact O-N 3.14Å |
| 3 | I | 70.4 | Confident | 68.1 | Low | 145 Ų | 145 | 124.9 Ų | 124.9 | 74% | 0.744 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.7 | -41.1 | 176.6 | -61.9 | 167.1 | 0 | 0 | 0 | 111.6 | M1 I5 L6 L7 | M1-I3 VanDerWaalsContact C-N 3.32Å; M1-I3 PolarHBondContact O-N 3.33Å; M1-I3 VanDerWaalsContact O-N 3.14Å; I3-I5 VanDerWaalsContact C-N 3.34Å; I3-I5 PolarHBondContact O-N 3.28Å; I3-L6 WeakPolarHBondContact O-CB 3.41Å; I3-L6 PolarHBondContact O-N 2.79Å; I3-L7 PolarHBondContact O-N 3.14Å |
| 4 | S | 66.6 | Low | 67.5 | Low | 71 Ų | 71 | 121.9 Ų | 121.9 | 50% | 0.497 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -60.8 | -42.8 | 177.1 | -40.7 | 0 | 0 | 0 | 0 | 111.6 | M1 L7 T8 | M1-S4 WeakPolarHBondContact O-CA 3.45Å; M1-S4 VanDerWaalsContact O-CB 3.29Å; M1-S4 WeakPolarHBondContact O-CB 2.94Å; M1-S4 PolarHBondContact O-N 2.61Å; M1-S4 PolarHBondContact O-OG 2.67Å; S4-L7 WeakPolarHBondContact O-CB 3.42Å; S4-L7 PolarHBondContact O-N 3.25Å; S4-T8 PolarHBondContact O-N 3.48Å; S4-T8 PolarHBondContact O-OG1 3.15Å |
| 5 | I | 71.8 | Confident | 66.9 | Low | 94 Ų | 94 | 120.4 Ų | 120.4 | 48% | 0.482 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -63.3 | -43.6 | 177 | -65.2 | 166.1 | 0 | 0 | 0 | 110.5 | M1 K2 I3 L7 T8 F9 | M1-I5 PolarHBondContact O-N 3.3Å; M1-I5 VanDerWaalsContact O-N 3.08Å; K2-I5 PolarHBondContact O-N 3.32Å; I3-I5 VanDerWaalsContact C-N 3.34Å; I3-I5 PolarHBondContact O-N 3.28Å; I5-L7 VanDerWaalsContact C-N 3.31Å; I5-L7 PolarHBondContact O-N 3.46Å; I5-T8 WeakPolarHBondContact CA-OG1 3.23Å; I5-T8 PolarHBondContact O-N 3.36Å; I5-T8 PolarHBondContact O-OG1 3.41Å; I5-F9 HydrophobicContact CG2-CD2 3.82Å; I5-F9 HydrophobicContact CG2-CE2 3.87Å; I5-F9 WeakPolarHBondContact O-CD2 3.47Å; I5-F9 PolarHBondContact O-N 3.03Å |
| 6 | L | 72.9 | Confident | 66.4 | Low | 111 Ų | 111 | 117.8 Ų | 117.8 | 58% | 0.581 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -60.4 | -40.9 | 174.1 | -114.4 | 164.5 | 0 | 0 | 0 | 112 | K2 I3 F9 L10 | K2-L6 PolarHBondContact O-N 3.47Å; K2-L6 VanDerWaalsContact O-N 3.14Å; I3-L6 WeakPolarHBondContact O-CB 3.41Å; I3-L6 PolarHBondContact O-N 2.79Å; L6-F9 PolarHBondContact O-N 3.36Å; L6-L10 HydrophobicContact CD2-CD1 4.1Å; L6-L10 WeakPolarHBondContact O-CB 3.34Å; L6-L10 WeakPolarHBondContact O-CG 3.31Å; L6-L10 PolarHBondContact O-N 3.11Å |
| 7 | L | 71.1 | Confident | 65.7 | Low | 118 Ų | 118 | 118.4 Ų | 118.4 | 62% | 0.618 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.3 | -41.8 | 178.1 | -157.3 | 75.6 | 0 | 0 | 0 | 112 | I3 S4 I5 L10 W11 | I3-L7 PolarHBondContact O-N 3.14Å; S4-L7 WeakPolarHBondContact O-CB 3.42Å; S4-L7 PolarHBondContact O-N 3.25Å; I5-L7 VanDerWaalsContact C-N 3.31Å; I5-L7 PolarHBondContact O-N 3.46Å; L7-L10 PolarHBondContact O-N 2.76Å; L7-W11 WeakPolarHBondContact O-CB 3.37Å; L7-W11 PolarHBondContact O-N 3.16Å |
| 8 | T | 71.9 | Confident | 65.1 | Low | 92 Ų | 92 | 118.4 Ų | 118.4 | 56% | 0.564 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.2 | -36.9 | 175.2 | 47.6 | 0 | 0 | 0 | 0 | 112.6 | S4 I5 G12 | S4-T8 PolarHBondContact O-N 3.48Å; S4-T8 PolarHBondContact O-OG1 3.15Å; I5-T8 WeakPolarHBondContact CA-OG1 3.23Å; I5-T8 PolarHBondContact O-N 3.36Å; I5-T8 PolarHBondContact O-OG1 3.41Å; T8-G12 PolarHBondContact O-N 3.48Å |
| 9 | F | 68.8 | Low | 64.5 | Low | 153 Ų | 153 | 119.1 Ų | 119.1 | 67% | 0.671 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -66.6 | -42.3 | 173.6 | -90.2 | -71.4 | 0 | 0 | 0 | 112.4 | I5 L6 G12 L13 | I5-F9 HydrophobicContact CG2-CD2 3.82Å; I5-F9 HydrophobicContact CG2-CE2 3.87Å; I5-F9 WeakPolarHBondContact O-CD2 3.47Å; I5-F9 PolarHBondContact O-N 3.03Å; L6-F9 PolarHBondContact O-N 3.36Å; F9-G12 PolarHBondContact O-N 3.07Å; F9-L13 WeakPolarHBondContact O-CB 3.48Å; F9-L13 PolarHBondContact O-N 2.93Å |
| 10 | L | 69.7 | Low | 63.9 | Low | 103 Ų | 103 | 117.6 Ų | 117.6 | 54% | 0.539 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -64.6 | -38 | 176.5 | -82.2 | 158.5 | 0 | 0 | 0 | 112.5 | L6 L7 S14 | L6-L10 HydrophobicContact CD2-CD1 4.1Å; L6-L10 WeakPolarHBondContact O-CB 3.34Å; L6-L10 WeakPolarHBondContact O-CG 3.31Å; L6-L10 PolarHBondContact O-N 3.11Å; L7-L10 PolarHBondContact O-N 2.76Å; L10-S14 PolarHBondContact O-N 3.34Å; L10-S14 PolarHBondContact O-OG 3.1Å |
| 11 | W | 70.3 | Confident | 63.2 | Low | 188 Ų | 188 | 123 Ų | 123 | 71% | 0.712 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -66.2 | -50.5 | 173.1 | -164.5 | -12.6 | 0 | 0 | 0 | 111.2 | L7 L13 S14 C15 | L7-W11 WeakPolarHBondContact O-CB 3.37Å; L7-W11 PolarHBondContact O-N 3.16Å; W11-L13 VanDerWaalsContact C-N 3.31Å; W11-L13 PolarHBondContact O-N 3.32Å; W11-S14 WeakPolarHBondContact O-CB 3.33Å; W11-S14 PolarHBondContact O-N 3.3Å; W11-C15 PolarHBondContact O-N 2.82Å |
| 12 | G | 69.8 | Low | 62.4 | Low | 44 Ų | 44 | 123.5 Ų | 123.5 | 45% | 0.454 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -56.8 | -42.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | T8 F9 S14 C15 A16 | T8-G12 PolarHBondContact O-N 3.48Å; F9-G12 PolarHBondContact O-N 3.07Å; G12-S14 VanDerWaalsContact C-N 3.27Å; G12-S14 PolarHBondContact O-N 2.6Å; G12-C15 PolarHBondContact O-N 2.69Å; G12-A16 PolarHBondContact O-N 2.73Å |
| 13 | L | 64.7 | Low | 61.8 | Low | 125 Ų | 125 | 122.7 Ų | 122.7 | 65% | 0.654 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -66.2 | -28.7 | 177.4 | -150.6 | 76 | 0 | 0 | 0 | 112.9 | F9 W11 C15 A16 | F9-L13 WeakPolarHBondContact O-CB 3.48Å; F9-L13 PolarHBondContact O-N 2.93Å; W11-L13 VanDerWaalsContact C-N 3.31Å; W11-L13 PolarHBondContact O-N 3.32Å; L13-C15 VanDerWaalsContact C-N 3.34Å; L13-A16 PolarHBondContact O-N 2.9Å |
| 14 | S | 60.4 | Low | 60.6 | Low | 83 Ų | 83 | 122.4 Ų | 122.4 | 58% | 0.58 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -71.9 | -27.1 | 175.4 | -57.5 | 0 | 0 | 0 | 0 | 112.8 | L10 W11 G12 | L10-S14 PolarHBondContact O-N 3.34Å; L10-S14 PolarHBondContact O-OG 3.1Å; W11-S14 WeakPolarHBondContact O-CB 3.33Å; W11-S14 PolarHBondContact O-N 3.3Å; G12-S14 VanDerWaalsContact C-N 3.27Å; G12-S14 PolarHBondContact O-N 2.6Å |
| 15 | C | 59 | Low | 59.4 | Low | 99 Ų | 99 | 125.9 Ų | 125.9 | 67% | 0.669 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -84.8 | -14.5 | 176 | -63.5 | 0 | 0 | 0 | 0 | 113.6 | W11 G12 L13 | W11-C15 PolarHBondContact O-N 2.82Å; G12-C15 PolarHBondContact O-N 2.69Å; L13-C15 VanDerWaalsContact C-N 3.34Å |
| 16 | A | 58.7 | Low | 58.3 | Low | 78 Ų | 78 | 130 Ų | 130 | 65% | 0.645 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -94.5 | -4.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G12 L13 | G12-A16 PolarHBondContact O-N 2.73Å; L13-A16 PolarHBondContact O-N 2.9Å |
| 17 | L | 54.8 | Low | 56.9 | Low | 128 Ų | 128 | 130.2 Ų | 130.2 | 67% | 0.67 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -79.1 | 123.2 | 175.7 | -77.3 | 162 | 0 | 0 | 0 | 110.1 | V19 | L17-V19 PolarHBondContact O-N 2.8Š|
| 18 | P | 54.7 | Low | 55.7 | Low | 119 Ų | 119 | 133.9 Ų | 133.9 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | | | trans | -65.1 | 124.3 | 176.8 | 26.5 | -33.2 | 0 | 0 | 0 | 109.8 | A20 | P18-A20 PolarHBondContact O-N 2.9Š|
| 19 | V | 52.4 | Low | 54.1 | Low | 132 Ų | 132 | 134.9 Ų | 134.9 | 80% | 0.8 | 73% | 0.725 | S | S | * | * | | | trans | -64.6 | 101.3 | 170.5 | 177.2 | 0 | 0 | 0 | 0 | 107.8 | L17 R21 | L17-V19 PolarHBondContact O-N 2.8Å; V19-R21 PolarHBondContact O-N 3.3Å |
| 20 | A | 52.8 | Low | 52.9 | Low | 88 Ų | 88 | 133.3 Ų | 133.3 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | trans | -60.3 | 101.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | P18 Y22 | P18-A20 PolarHBondContact O-N 2.9Å; A20-Y22 VanDerWaalsContact C-N 3.28Å; A20-Y22 PolarHBondContact O-N 2.89Å |
| 21 | R | 49.1 | Very low | 51.5 | Low | 233 Ų | 233 | 136.9 Ų | 136.9 | 88% | 0.879 | 75% | 0.747 | S | S | * | * | | | trans | -66.6 | 92.3 | 172.7 | -75.4 | -170.3 | 178.3 | -176.8 | 1.3 | 108.2 | V19 Q23 | V19-R21 PolarHBondContact O-N 3.3Å; R21-Q23 PolarHBondContact O-N 2.97Å |
| 22 | Y | 43.2 | Very low | 50.2 | Low | 204 Ų | 204 | 136.2 Ų | 136.2 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | | | trans | -59.4 | 103.6 | 172.9 | -143.6 | -94.2 | 0 | 0 | 0 | 107.9 | A20 N24 | A20-Y22 VanDerWaalsContact C-N 3.28Å; A20-Y22 PolarHBondContact O-N 2.89Å; Y22-N24 PolarHBondContact O-N 3.4Å |
| 23 | Q | 45.6 | Very low | 48.7 | Very low | 169 Ų | 169 | 145.9 Ų | 145.9 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | -71.5 | 117 | 168.5 | -75.3 | -173.5 | -18.3 | 0 | 0 | 106.9 | R21 N25 | R21-Q23 PolarHBondContact O-N 2.97Å; Q23-N25 PolarHBondContact O-N 2.84Å |
| 24 | N | 43.1 | Very low | 47.2 | Very low | 138 Ų | 138 | 148.9 Ų | 148.9 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | | | trans | -70.3 | 92.6 | 179.4 | -71.3 | -28.1 | 0 | 0 | 0 | 109.6 | Y22 E26 | Y22-N24 PolarHBondContact O-N 3.4Å; N24-E26 VanDerWaalsContact C-N 3.31Å; N24-E26 PolarHBondContact O-N 2.75Å; N24-E26 VanDerWaalsContact O-N 3.15Å |
| 25 | N | 43.3 | Very low | 46 | Very low | 144 Ų | 144 | 148 Ų | 148 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | | | trans | -75.8 | 95.7 | 154 | -78.7 | 5.6 | 0 | 0 | 0 | 107.4 | Q23 S27 | Q23-N25 PolarHBondContact O-N 2.84Å; N25-S27 PolarHBondContact O-N 3.22Å |
| 26 | E | 46.8 | Very low | 44.6 | Very low | 182 Ų | 182 | 152 Ų | 152 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | | | trans | -34.3 | 123.2 | 166.5 | 52.4 | -156.2 | 63.4 | 0 | 0 | 112.5 | N24 | N24-E26 VanDerWaalsContact C-N 3.31Å; N24-E26 PolarHBondContact O-N 2.75Å; N24-E26 VanDerWaalsContact O-N 3.15Å |
| 27 | S | 44 | Very low | 43.5 | Very low | 115 Ų | 115 | 154.7 Ų | 154.7 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | -127.7 | 119 | 171.4 | -66.3 | 0 | 0 | 0 | 0 | 107 | N25 | N25-S27 PolarHBondContact O-N 3.22Š|
| 28 | E | 47.3 | Very low | 42.5 | Very low | 195 Ų | 195 | 154.6 Ų | 154.6 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | | | trans | -71.1 | 173.9 | -170.1 | -56.1 | 170 | 119.3 | 0 | 0 | 112.5 | | |
| 29 | S | 37 | Very low | 41.5 | Very low | 113 Ų | 113 | 157.3 Ų | 157.3 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | | | trans | 93.6 | 92 | 172.7 | -162.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 30 | S | 43.3 | Very low | 40.7 | Very low | 119 Ų | 119 | 155 Ų | 155 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | | -166 | 115.3 | 108.2 | 18.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 31 | E | 40.8 | Very low | 40.1 | Very low | 178 Ų | 178 | 157 Ų | 157 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | | | trans | -76.3 | 124.2 | -178.2 | -65.9 | 160.6 | 95.3 | 0 | 0 | 111.9 | | |
| 32 | E | 43.2 | Very low | 39.7 | Very low | 174 Ų | 174 | 152.2 Ų | 152.2 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | | | trans | -77.6 | 125.7 | 172 | 66.8 | 170.8 | 130.1 | 0 | 0 | 112 | K34 | E32-K34 PolarHBondContact O-N 3.15Š|
| 33 | W | 38.3 | Very low | 39.8 | Very low | 247 Ų | 247 | 148.2 Ų | 148.2 | 94% | 0.936 | 80% | 0.801 | S | S | * | * | | | trans | -84.3 | 105.1 | -178.8 | -88.4 | 45.3 | 0 | 0 | 0 | 112 | | |
| 34 | K | 34.2 | Very low | 39.3 | Very low | 188 Ų | 188 | 145.6 Ų | 145.6 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | | | trans | -148.6 | 49.6 | 173.6 | -128 | 168.9 | -168.8 | 170 | 0 | 118.2 | E32 | E32-K34 PolarHBondContact O-N 3.15Š|
| 35 | G | 34.9 | Very low | 38.8 | Very low | 65 Ų | 65 | 147 Ų | 147 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | | | trans | 62 | 133.9 | 139.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 36 | H | 29.6 | Very low | 38.4 | Very low | 183 Ų | 183 | 148.8 Ų | 148.8 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | | | | -163.3 | 155.6 | 112.2 | -99.9 | 133.6 | 0 | 0 | 0 | 113 | | |
| 37 | L | 35.3 | Very low | 37.6 | Very low | 135 Ų | 135 | 145.5 Ų | 145.5 | 71% | 0.707 | 81% | 0.806 | S | S | * | * | | | trans | 18.1 | 137.4 | 158.3 | -87 | 68.6 | 0 | 0 | 0 | 121.7 | | |
| 38 | T | 34.2 | Very low | 37.1 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | | | trans | 66.8 | 148.7 | 145.7 | 53.1 | 0 | 0 | 0 | 0 | 118.2 | | |
| 39 | Q | 33 | Very low | 36.6 | Very low | 175 Ų | 175 | 146.2 Ų | 146.2 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | cis | -164.1 | 146.6 | -11.8 | 161.6 | 174.8 | 1.7 | 0 | 0 | 107.7 | | |
| 40 | A | 35.2 | Very low | 36.3 | Very low | 85 Ų | 85 | 145.9 Ų | 145.9 | 70% | 0.702 | 81% | 0.809 | S | S | * | * | | | trans | -75.4 | 153.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 41 | P | 40.7 | Very low | 36.1 | Very low | 128 Ų | 128 | 145 Ų | 145 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | | | | -140.7 | -169.5 | 102.5 | 39.5 | -26 | 0 | 0 | 0 | 115.1 | | |
| 42 | T | 40.6 | Very low | 35.9 | Very low | 134 Ų | 134 | 146.4 Ų | 146.4 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | | | trans | -89.4 | 166.8 | -161.6 | 32.2 | 0 | 0 | 0 | 0 | 116.4 | | |
| 43 | P | 45 | Very low | 35.6 | Very low | 119 Ų | 119 | 141.8 Ų | 141.8 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | trans | -95.6 | 164.5 | -173.9 | 38.4 | -36.8 | 0 | 0 | 0 | 114.4 | | |
| 44 | P | 35 | Very low | 35.4 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | | | trans | -118.3 | 128.2 | 157.5 | 35.6 | -23.9 | 0 | 0 | 0 | 112.5 | | |
| 45 | L | 32.3 | Very low | 35.6 | Very low | 166 Ų | 166 | 135.1 Ų | 135.1 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | | | | 174.1 | 112.3 | 114.9 | -94 | 167.8 | 0 | 0 | 0 | 111.1 | | |
| 46 | E | 34.7 | Very low | 35.7 | Very low | 182 Ų | 182 | 137.1 Ų | 137.1 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | | | trans | -74.4 | 136.8 | 155.6 | -59 | -179.6 | 109.3 | 0 | 0 | 109.3 | | |
| 47 | S | 32 | Very low | 35.8 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | | 176.7 | 118.8 | 122 | 34.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 48 | S | 33.6 | Very low | 36 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | | | trans | -94.8 | 120.3 | 170.1 | -56.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 49 | E | 35.9 | Very low | 36.2 | Very low | 196 Ų | 196 | 133.9 Ų | 133.9 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | | | trans | -148.8 | 163.1 | 150.7 | 60.8 | 178 | 106.9 | 0 | 0 | 113.6 | | |
| 50 | S | 30.5 | Very low | 36.5 | Very low | 107 Ų | 107 | 132.9 Ų | 132.9 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | trans | -147.9 | 133.5 | -165.4 | 161.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 51 | S | 38.4 | Very low | 36.5 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | | | trans | 168.5 | 149.5 | 141.2 | -88.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 52 | K | 36.7 | Very low | 36.3 | Very low | 208 Ų | 208 | 135 Ų | 135 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | | | trans | 74.7 | 137 | 141.9 | -78.5 | 168.2 | 178 | 168.9 | 0 | 121.5 | | |
| 53 | G | 37.4 | Very low | 36.2 | Very low | 77 Ų | 77 | 133.5 Ų | 133.5 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | | | trans | 123.7 | 67.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 54 | S | 34.6 | Very low | 35.8 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | | | | 76.8 | 87 | 56.2 | -172.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 55 | K | 38.2 | Very low | 36.2 | Very low | 185 Ų | 185 | 136.6 Ų | 136.6 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | 84.9 | 125.6 | 138.5 | -89.9 | -159.9 | 165.8 | -167.8 | 0 | 122.8 | | |
| 56 | V | 36.6 | Very low | 37.2 | Very low | 106 Ų | 106 | 132 Ų | 132 | 64% | 0.642 | 74% | 0.741 | S | S | * | * | | | trans | 79.9 | 121.8 | 137.4 | -58.2 | 0 | 0 | 0 | 0 | 122.8 | | |
| 57 | N | 31.7 | Very low | 37.4 | Very low | 142 Ų | 142 | 128.7 Ų | 128.7 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | | | | 64.4 | 153.6 | 128.8 | -70.6 | 60.2 | 0 | 0 | 0 | 119.8 | | |
| 58 | S | 40.2 | Very low | 37.6 | Very low | 73 Ų | 73 | 130.4 Ų | 130.4 | 51% | 0.51 | 74% | 0.738 | S | S | . | * | | | cis | -156.2 | 170.8 | 14.1 | -111.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 59 | E | 37.4 | Very low | 37.8 | Very low | 161 Ų | 161 | 128.6 Ų | 128.6 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | | | trans | 43.1 | 151.1 | 145.3 | -78.5 | 117.6 | 75.6 | 0 | 0 | 122.3 | | |
| 60 | E | 39.6 | Very low | 37.9 | Very low | 154 Ų | 154 | 125.7 Ų | 125.7 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | | | cis | -172.4 | 128.8 | -13.1 | 178 | 177 | 102.5 | 0 | 0 | 109.3 | | |
| 61 | H | 35.3 | Very low | 38.1 | Very low | 170 Ų | 170 | 129.6 Ų | 129.6 | 79% | 0.787 | 73% | 0.728 | S | S | * | * | | | trans | 63.3 | 141.8 | 159.1 | -71.2 | -136 | 0 | 0 | 0 | 117.9 | | |
| 62 | A | 36.8 | Very low | 38 | Very low | 87 Ų | 87 | 129.3 Ų | 129.3 | 72% | 0.719 | 73% | 0.726 | S | S | * | * | | | | 69.8 | 143.4 | 52.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 63 | N | 37.6 | Very low | 38 | Very low | 103 Ų | 103 | 127.6 Ų | 127.6 | 55% | 0.551 | 72% | 0.721 | S | S | * | * | | | cis | -94.7 | -113 | 3.4 | -167.7 | 23.4 | 0 | 0 | 0 | 111.6 | | |
| 64 | E | 37.5 | Very low | 38 | Very low | 162 Ų | 162 | 132.7 Ų | 132.7 | 76% | 0.757 | 72% | 0.724 | S | S | * | * | | | cis | -162.9 | 146.7 | 0.4 | -158.5 | 103.1 | -96.9 | 0 | 0 | 109.5 | | |
| 65 | D | 42.8 | Very low | 37.9 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | | | trans | -141.1 | -127.5 | 170.4 | -146.2 | -25.5 | 0 | 0 | 0 | 108.5 | | |
| 66 | P | 53.8 | Low | 37.9 | Very low | 70 Ų | 70 | 130.7 Ų | 130.7 | 46% | 0.455 | 73% | 0.729 | S | S | . | * | | | cis | -126.8 | 168.3 | -19.9 | 43 | -28.6 | 0 | 0 | 0 | 116 | D277 | P66-D277 WeakPolarHBondContact CG-OD2 3.41Š|
| 67 | S | 38.8 | Very low | 37.6 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 78% | 0.783 | 74% | 0.738 | S | S | * | * | | | trans | 53.4 | 135.6 | 146.3 | -63.4 | 0 | 0 | 0 | 0 | 124.9 | | |
| 68 | D | 35.9 | Very low | 38.2 | Very low | 148 Ų | 148 | 128.2 Ų | 128.2 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | | | trans | 90.7 | 115.4 | 139.2 | -117.8 | -24.2 | 0 | 0 | 0 | 124.6 | | |
| 69 | S | 39.4 | Very low | 38.1 | Very low | 92 Ų | 92 | 132.2 Ų | 132.2 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | | | trans | 4.5 | 136.6 | 146.6 | -43.4 | 0 | 0 | 0 | 0 | 122.8 | | |
| 70 | T | 37.8 | Very low | 38.1 | Very low | 135 Ų | 135 | 132.1 Ų | 132.1 | 83% | 0.828 | 76% | 0.761 | S | S | * | * | | | | 169.9 | 176.6 | 106.4 | 35.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 71 | E | 34.9 | Very low | 38.3 | Very low | 188 Ų | 188 | 130.8 Ų | 130.8 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | | | trans | 73.2 | 147.8 | 171.5 | 109.2 | 170.4 | 109.1 | 0 | 0 | 116.6 | | |
| 72 | S | 34.9 | Very low | 38.6 | Very low | 95 Ų | 95 | 129.9 Ų | 129.9 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | | | cis | -148.3 | 173 | -11.8 | -83.5 | 0 | 0 | 0 | 0 | 107.1 | | |
| 73 | E | 36.3 | Very low | 38.7 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | | | | 166.4 | 168.2 | 71.3 | 179.8 | 153 | 92.6 | 0 | 0 | 110.2 | | |
| 74 | E | 38.3 | Very low | 38.7 | Very low | 184 Ų | 184 | 138.1 Ų | 138.1 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | | | trans | 54.6 | 149.2 | 160.5 | 66.4 | -179.2 | 176.7 | 0 | 0 | 123.5 | | |
| 75 | G | 31.5 | Very low | 38.6 | Very low | 68 Ų | 68 | 140.2 Ų | 140.2 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | | | cis | 170 | 134.9 | -12.8 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 76 | L | 39.2 | Very low | 38.3 | Very low | 186 Ų | 186 | 144.6 Ų | 144.6 | 97% | 0.974 | 78% | 0.78 | S | S | * | * | | | trans | 70.6 | 134.1 | 148.6 | -52.5 | 178.9 | 0 | 0 | 0 | 123.5 | | |
| 77 | G | 31.2 | Very low | 38.1 | Very low | 81 Ų | 81 | 146.4 Ų | 146.4 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | | | trans | 111.1 | 134.7 | 155 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 78 | S | 42.6 | Very low | 37.9 | Very low | 115 Ų | 115 | 145 Ų | 145 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | cis | -154.2 | 168.9 | -5.6 | 59.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 79 | D | 38.2 | Very low | 37.9 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | | | trans | -64.2 | 155.7 | -173.2 | -40.7 | -109.7 | 0 | 0 | 0 | 115.7 | | |
| 80 | D | 38.2 | Very low | 37.7 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | | | | -161.3 | 161 | 99.5 | -141.1 | -21.9 | 0 | 0 | 0 | 112 | | |
| 81 | D | 43.1 | Very low | 37.6 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 67% | 0.674 | 80% | 0.803 | S | S | * | * | | | trans | -124.9 | 161.3 | -161.4 | -148 | -10.1 | 0 | 0 | 0 | 112.5 | | |
| 82 | Q | 42.5 | Very low | 37.7 | Very low | 152 Ų | 152 | 141.9 Ų | 141.9 | 71% | 0.71 | 80% | 0.801 | S | S | * | * | | | trans | 142.2 | 108.7 | 139.7 | -74.5 | 164.2 | 94.8 | 0 | 0 | 118.8 | | |
| 83 | Y | 38.8 | Very low | 38.2 | Very low | 201 Ų | 201 | 149.4 Ų | 149.4 | 79% | 0.788 | 82% | 0.815 | S | S | * | * | | | trans | 42.3 | 137.7 | 140.6 | -50.8 | -79.6 | 0 | 0 | 0 | 121.7 | | |
| 84 | I | 37.9 | Very low | 38.3 | Very low | 162 Ų | 162 | 146.1 Ų | 146.1 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | | | | -161.3 | 153.5 | 59.5 | -81.5 | -178.4 | 0 | 0 | 0 | 112.1 | | |
| 85 | Y | 35 | Very low | 38.3 | Very low | 206 Ų | 206 | 143.8 Ų | 143.8 | 81% | 0.808 | 81% | 0.81 | S | S | * | * | | | trans | -68.3 | 145.8 | 176.4 | -85.8 | -112.6 | 0 | 0 | 0 | 116.7 | P87 | Y85-P87 HydrophobicContact CD1-CG 4.49Š|
| 86 | R | 35.9 | Very low | 38.5 | Very low | 230 Ų | 230 | 144.5 Ų | 144.5 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | | | trans | -160.3 | 99.1 | 136.7 | -159 | 176.7 | -156.2 | -95.3 | 1.8 | 116.4 | | |
| 87 | P | 49.1 | Very low | 38.7 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 70% | 0.695 | 81% | 0.808 | S | S | * | * | | | trans | -102 | 130.8 | 166.3 | 34.7 | -28.4 | 0 | 0 | 0 | 112.3 | Y85 | Y85-P87 HydrophobicContact CD1-CG 4.49Š|
| 88 | A | 35.4 | Very low | 39.3 | Very low | 84 Ų | 84 | 148.7 Ų | 148.7 | 69% | 0.694 | 81% | 0.807 | S | S | * | * | | | trans | -161.5 | 112.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 89 | G | 36.4 | Very low | 39.3 | Very low | 86 Ų | 86 | 146.3 Ų | 146.3 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | | | trans | 81.9 | 139.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 90 | G | 34.8 | Very low | 39.8 | Very low | 74 Ų | 74 | 146.2 Ų | 146.2 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | | | cis | 151.7 | 99.2 | -5.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 91 | F | 35.2 | Very low | 40.7 | Very low | 217 Ų | 217 | 145.9 Ų | 145.9 | 95% | 0.952 | 80% | 0.798 | S | S | * | * | | | trans | -60 | 135.6 | -179.1 | -59.8 | -84.3 | 0 | 0 | 0 | 113.2 | | |
| 92 | S | 38.2 | Very low | 41.5 | Very low | 120 Ų | 120 | 148.3 Ų | 148.3 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | | | trans | -157.1 | 119.5 | 155.4 | -80.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 93 | R | 44.8 | Very low | 42.1 | Very low | 252 Ų | 252 | 147.7 Ų | 147.7 | 95% | 0.951 | 81% | 0.805 | S | S | * | * | | | trans | -81 | 139 | 172.2 | -66.4 | 160.4 | 65.1 | -171.4 | 4.7 | 109.5 | | |
| 94 | S | 38 | Very low | 43.1 | Very low | 103 Ų | 103 | 145.3 Ų | 145.3 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | | | trans | -156 | 143.3 | 158.6 | 57.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 95 | T | 38.1 | Very low | 44.2 | Very low | 135 Ų | 135 | 144.1 Ų | 144.1 | 83% | 0.828 | 80% | 0.801 | S | S | * | * | | | trans | 51.8 | 100.9 | 156.6 | 53.1 | 0 | 0 | 0 | 0 | 117.7 | | |
| 96 | G | 36.3 | Very low | 45.4 | Very low | 83 Ų | 83 | 143.4 Ų | 143.4 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | | | trans | -78 | 165.3 | 162 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 97 | K | 43.1 | Very low | 46.6 | Very low | 179 Ų | 179 | 139.2 Ų | 139.2 | 78% | 0.778 | 80% | 0.799 | S | S | * | * | | | trans | -162.7 | 107.9 | 172.6 | 178.3 | 156.6 | 177.3 | 41.9 | 0 | 105 | | |
| 98 | E | 43 | Very low | 47 | Very low | 176 Ų | 176 | 141.5 Ų | 141.5 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | | | | 58.3 | 86.6 | 67 | -166.3 | -174.8 | -150.4 | 0 | 0 | 111.3 | | |
| 99 | G | 44.4 | Very low | 48.3 | Very low | 64 Ų | 64 | 141.8 Ų | 141.8 | 66% | 0.66 | 80% | 0.803 | S | S | * | * | | | trans | 172.3 | 101.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 100 | D | 48.3 | Very low | 49.3 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | | | trans | 62.1 | 101.7 | 152.9 | -48.6 | -14.9 | 0 | 0 | 0 | 118.7 | | |
| 101 | D | 56.2 | Low | 50.5 | Low | 151 Ų | 151 | 143.1 Ų | 143.1 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | | | trans | -60 | 136.7 | 161.7 | -39.7 | -79.6 | 0 | 0 | 0 | 110.4 | | |
| 102 | K | 60.3 | Low | 51.5 | Low | 176 Ų | 176 | 139.8 Ų | 139.8 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | | | trans | -151.3 | 73.6 | 167.6 | -82.7 | -155.5 | 165 | -136.3 | 0 | 109.5 | D104 | K102-D104 PolarHBondContact O-N 2.96Š|
| 103 | D | 54.9 | Low | 52.4 | Low | 140 Ų | 140 | 139.4 Ų | 139.4 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | | | trans | -71.6 | 100.1 | 158.3 | -48.8 | -57.3 | 0 | 0 | 0 | 105.8 | D105 | D103-D105 VanDerWaalsContact C-N 3.3Š|
| 104 | D | 60.8 | Low | 52.8 | Low | 151 Ų | 151 | 137.1 Ų | 137.1 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | | | trans | -100.9 | 59.3 | 177.2 | -139.8 | 18.8 | 0 | 0 | 0 | 106.6 | K102 | K102-D104 PolarHBondContact O-N 2.96Š|
| 105 | D | 60 | Low | 53.4 | Low | 136 Ų | 136 | 135.2 Ų | 135.2 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | trans | -66.6 | 161.3 | 168.1 | -66.9 | -49.3 | 0 | 0 | 0 | 109.7 | D103 | D103-D105 VanDerWaalsContact C-N 3.3Š|
| 106 | E | 60.3 | Low | 53.7 | Low | 192 Ų | 192 | 136.3 Ų | 136.3 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | | | trans | 89 | 76.3 | -174.5 | -56.2 | -164 | -145.8 | 0 | 0 | 116.9 | | |
| 107 | D | 61.4 | Low | 54.3 | Low | 141 Ų | 141 | 139.2 Ų | 139.2 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | | | trans | -123.5 | 60.3 | 141.8 | -165.3 | -0.9 | 0 | 0 | 0 | 109.1 | S109 | D107-S109 PolarHBondContact O-N 2.91Å; D107-S109 VanDerWaalsContact O-N 3.14Å; D107-S109 VanDerWaalsContact OD1-CB 3.31Å; D107-S109 WeakPolarHBondContact OD1-CB 3.49Å; D107-S109 PolarHBondContact OD1-OG 3.32Å |
| 108 | D | 58.1 | Low | 54.7 | Low | 156 Ų | 156 | 138.3 Ų | 138.3 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | | | trans | -83.3 | 56.8 | 169.4 | -168.8 | 21.3 | 0 | 0 | 0 | 109.6 | G110 | D108-G110 PolarHBondContact O-N 3.24Š|
| 109 | S | 61.1 | Low | 55.1 | Low | 89 Ų | 89 | 135.1 Ų | 135.1 | 62% | 0.622 | 76% | 0.763 | S | S | * | * | | | trans | -78 | 74.3 | 176.8 | 46.6 | 0 | 0 | 0 | 0 | 110.6 | D107 D111 | D107-S109 PolarHBondContact O-N 2.91Å; D107-S109 VanDerWaalsContact O-N 3.14Å; D107-S109 VanDerWaalsContact OD1-CB 3.31Å; D107-S109 WeakPolarHBondContact OD1-CB 3.49Å; D107-S109 PolarHBondContact OD1-OG 3.32Å; S109-D111 PolarHBondContact O-N 3.45Å |
| 110 | G | 58.3 | Low | 54.9 | Low | 60 Ų | 60 | 135 Ų | 135 | 62% | 0.619 | 76% | 0.762 | S | S | * | * | | | trans | -58.1 | 98.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D108 D112 | D108-G110 PolarHBondContact O-N 3.24Å; G110-D112 PolarHBondContact O-N 3.17Å |
| 111 | D | 58.9 | Low | 54.7 | Low | 129 Ų | 129 | 133.5 Ų | 133.5 | 69% | 0.69 | 76% | 0.76 | S | S | * | * | | | trans | -78.2 | 61.1 | 174.2 | -169.5 | 9.4 | 0 | 0 | 0 | 111.4 | S109 T113 | S109-D111 PolarHBondContact O-N 3.45Å; D111-T113 PolarHBondContact O-N 3.01Å; D111-T113 WeakPolarHBondContact OD1-CB 3.44Å; D111-T113 VanDerWaalsContact OD1-CG2 3.23Å; D111-T113 WeakPolarHBondContact OD1-CG2 3.47Å; D111-T113 PolarHBondContact OD1-OG1 3.26Å |
| 112 | D | 57.5 | Low | 53.8 | Low | 147 Ų | 147 | 129.8 Ų | 129.8 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | | | trans | -75.1 | 63.2 | 163.5 | -82.9 | -43.3 | 0 | 0 | 0 | 109.2 | G110 F114 | G110-D112 PolarHBondContact O-N 3.17Å; D112-F114 PolarHBondContact O-N 3.36Å |
| 113 | T | 57.8 | Low | 52.9 | Low | 112 Ų | 112 | 127.5 Ų | 127.5 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | | | trans | -65.3 | 105.6 | 171.4 | 20.1 | 0 | 0 | 0 | 0 | 109.9 | D111 | D111-T113 PolarHBondContact O-N 3.01Å; D111-T113 WeakPolarHBondContact OD1-CB 3.44Å; D111-T113 VanDerWaalsContact OD1-CG2 3.23Å; D111-T113 WeakPolarHBondContact OD1-CG2 3.47Å; D111-T113 PolarHBondContact OD1-OG1 3.26Å |
| 114 | F | 52.7 | Low | 52.4 | Low | 203 Ų | 203 | 130 Ų | 130 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | | | trans | -36.2 | 140.7 | 177.1 | -67 | -96.6 | 0 | 0 | 0 | 114.5 | D112 | D112-F114 PolarHBondContact O-N 3.36Š|
| 115 | G | 49.8 | Very low | 51.4 | Low | 63 Ų | 63 | 129.7 Ų | 129.7 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | | | trans | -54.1 | 146.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | D117 | G115-D117 PolarHBondContact O-N 3.22Š|
| 116 | D | 44.3 | Very low | 50.3 | Low | 158 Ų | 158 | 134 Ų | 134 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | | | trans | -63.3 | 67.4 | 166 | 49.1 | -33 | 0 | 0 | 0 | 111.7 | D118 | D116-D118 PolarHBondContact O-N 3.2Š|
| 117 | D | 49.7 | Very low | 49 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | | | trans | -72.8 | 67.5 | 172.7 | -139.1 | -16.1 | 0 | 0 | 0 | 109.5 | G115 S119 | G115-D117 PolarHBondContact O-N 3.22Å; D117-S119 PolarHBondContact O-N 3.4Å |
| 118 | D | 50.9 | Low | 47.8 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | | | trans | -75 | 57.2 | -170.7 | -143.6 | 6.2 | 0 | 0 | 0 | 111.9 | D116 G120 | D116-D118 PolarHBondContact O-N 3.2Å; D118-G120 PolarHBondContact O-N 2.69Å |
| 119 | S | 52.5 | Low | 46.6 | Very low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | | | trans | -82.1 | 71 | -171.6 | -83.1 | 0 | 0 | 0 | 0 | 112.4 | D117 | D117-S119 PolarHBondContact O-N 3.4Š|
| 120 | G | 39.5 | Very low | 45.4 | Very low | 62 Ų | 62 | 128.8 Ų | 128.8 | 64% | 0.639 | 76% | 0.764 | S | S | * | * | | | trans | -171.6 | 153.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | D118 | D118-G120 PolarHBondContact O-N 2.69Š|
| 121 | P | 44.3 | Very low | 44.1 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 81% | 0.805 | 77% | 0.771 | S | S | * | * | | | cis | -108.8 | 132 | -4.9 | 35.8 | -24.7 | 0 | 0 | 0 | 112.6 | | |
| 122 | G | 36.8 | Very low | 42.8 | Very low | 72 Ų | 72 | 132.2 Ų | 132.2 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 130.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 123 | P | 40.8 | Very low | 42.1 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 140 | 174.5 | 27.9 | -33.6 | 0 | 0 | 0 | 110.7 | D125 | P123-D125 PolarHBondContact O-N 3.14Š|
| 124 | K | 45.8 | Very low | 41.2 | Very low | 193 Ų | 193 | 137.6 Ų | 137.6 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 126.5 | 175.4 | -41.5 | 105.7 | -179 | 178.7 | 0 | 109.2 | | |
| 125 | D | 39.6 | Very low | 40.6 | Very low | 144 Ų | 144 | 130.3 Ų | 130.3 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | | -178 | 144 | 108.9 | -95.5 | -15.1 | 0 | 0 | 0 | 114.7 | P123 | P123-D125 PolarHBondContact O-N 3.14Š|
| 126 | R | 35.6 | Very low | 40.2 | Very low | 228 Ų | 228 | 130.9 Ų | 130.9 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | | | trans | 65.4 | 100.8 | 152.3 | -74.3 | -178.9 | 172.2 | 169.6 | -0.3 | 120.8 | E128 | R126-E128 PolarHBondContact O-N 2.92Š|
| 127 | Q | 34.2 | Very low | 40.4 | Very low | 165 Ų | 165 | 130.9 Ų | 130.9 | 77% | 0.771 | 76% | 0.76 | S | S | * | * | | | | -31.4 | 125.4 | 121.1 | -89.4 | -176.6 | -87 | 0 | 0 | 112 | | |
| 128 | E | 35.3 | Very low | 40.2 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | | | | 88.8 | 146.1 | 74.7 | -170.8 | -174.1 | -166.4 | 0 | 0 | 112.6 | R126 | R126-E128 PolarHBondContact O-N 2.92Š|
| 129 | G | 33.8 | Very low | 39.4 | Very low | 59 Ų | 59 | 130.4 Ų | 130.4 | 61% | 0.608 | 75% | 0.752 | S | S | * | * | | | trans | 65.2 | 71.7 | 147 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 130 | G | 36.1 | Very low | 38.9 | Very low | 86 Ų | 86 | 130.3 Ų | 130.3 | 89% | 0.887 | 75% | 0.751 | S | S | * | * | | | trans | -69 | 130.3 | 170 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 131 | N | 29.9 | Very low | 38.9 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | | | trans | -149.1 | 134.5 | 168.3 | 49 | 30.6 | 0 | 0 | 0 | 113.5 | | |
| 132 | S | 31.8 | Very low | 38.5 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | | | trans | 59.7 | 160.9 | 156.9 | -56.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 133 | R | 42 | Very low | 38.4 | Very low | 237 Ų | 237 | 139.4 Ų | 139.4 | 89% | 0.894 | 77% | 0.766 | S | S | * | * | | | trans | -160.8 | 163.4 | 173.3 | -59.4 | -171.7 | -178.2 | 169.9 | 1 | 107.9 | | |
| 134 | L | 40.1 | Very low | 38.3 | Very low | 135 Ų | 135 | 139.2 Ų | 139.2 | 71% | 0.707 | 76% | 0.757 | S | S | * | * | | | cis | -129.9 | 162.8 | -4.4 | -71.1 | 82.9 | 0 | 0 | 0 | 107.6 | | |
| 135 | G | 39.1 | Very low | 37.6 | Very low | 50 Ų | 50 | 137.9 Ų | 137.9 | 52% | 0.515 | 75% | 0.754 | S | S | . | * | | | cis | 90.5 | 78.4 | -21.2 | 0 | 0 | 0 | 0 | 0 | 117 | D139 | G135-D139 VanDerWaalsContact CA-OD2 3.25Å; G135-D139 WeakPolarHBondContact CA-OD2 3.27Å; G135-D139 PolarHBondContact N-OD2 3.31Å |
| 136 | S | 42.3 | Very low | 37.2 | Very low | 76 Ų | 76 | 136.2 Ų | 136.2 | 53% | 0.531 | 75% | 0.753 | S | S | . | * | | | trans | -163.6 | 172.7 | 161.5 | -75.6 | 0 | 0 | 0 | 0 | 111.3 | E138 D139 | S136-E138 WeakPolarHBondContact O-CA 3.46Å; S136-E138 PolarHBondContact O-N 2.84Å; S136-D139 PolarHBondContact N-OD2 3.42Å; S136-D139 PolarHBondContact O-N 2.95Å |
| 137 | D | 48.9 | Very low | 37 | Very low | 157 Ų | 157 | 129.5 Ų | 129.5 | 84% | 0.84 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | 119.7 | 149.2 | -57.8 | -79.6 | 0 | 0 | 0 | 107.8 | | |
| 138 | E | 45 | Very low | 37 | Very low | 179 Ų | 179 | 129.6 Ų | 129.6 | 84% | 0.836 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -126.9 | 109.4 | -1.2 | -63.5 | 120.4 | 110.5 | 0 | 0 | 111.8 | S136 S140 | S136-E138 WeakPolarHBondContact O-CA 3.46Å; S136-E138 PolarHBondContact O-N 2.84Å; E138-S140 PolarHBondContact O-N 2.96Å; E138-S140 VanDerWaalsContact O-N 3.12Å |
| 139 | D | 34.9 | Very low | 36.8 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 62% | 0.62 | 75% | 0.748 | S | S | * | * | | | trans | -74.3 | 97.7 | 175.7 | -85.3 | -50.1 | 0 | 0 | 0 | 112.4 | G135 S136 | G135-D139 VanDerWaalsContact CA-OD2 3.25Å; G135-D139 WeakPolarHBondContact CA-OD2 3.27Å; G135-D139 PolarHBondContact N-OD2 3.31Å; S136-D139 PolarHBondContact N-OD2 3.42Å; S136-D139 PolarHBondContact O-N 2.95Å |
| 140 | S | 40.8 | Very low | 37.1 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | trans | -157.1 | 85.7 | 167 | -74.5 | 0 | 0 | 0 | 0 | 112.8 | E138 | E138-S140 PolarHBondContact O-N 2.96Å; E138-S140 VanDerWaalsContact O-N 3.12Å |
| 141 | D | 39.9 | Very low | 37 | Very low | 168 Ų | 168 | 132.6 Ų | 132.6 | 90% | 0.898 | 76% | 0.755 | S | S | * | * | | | trans | -177.1 | 151.6 | 132.6 | -97.3 | -20.6 | 0 | 0 | 0 | 111.2 | | |
| 142 | D | 36.1 | Very low | 37.8 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | | | trans | -66.2 | 156.3 | 168.5 | -69 | -76.8 | 0 | 0 | 0 | 111.7 | | |
| 143 | T | 34 | Very low | 37.9 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | | | | 147.3 | 108.8 | 128.7 | -64.5 | 0 | 0 | 0 | 0 | 115.4 | | |
| 144 | I | 38.5 | Very low | 37.5 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 64% | 0.641 | 75% | 0.752 | S | S | * | * | | | trans | 38.2 | 111.9 | 131.1 | -49.5 | -58.2 | 0 | 0 | 0 | 120.1 | | |
| 145 | Q | 32 | Very low | 37 | Very low | 164 Ų | 164 | 130.2 Ų | 130.2 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | | | trans | 41.6 | 155 | 132.4 | -51.3 | 176.4 | -104.7 | 0 | 0 | 122.6 | | |
| 146 | S | 30.8 | Very low | 36.6 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | trans | 80.8 | 158.7 | 159.8 | -24.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 147 | S | 30.7 | Very low | 36.2 | Very low | 87 Ų | 87 | 135.9 Ų | 135.9 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | | | cis | -168.9 | 174.3 | -14.6 | 36.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 148 | E | 34.5 | Very low | 35.5 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | trans | 61.4 | 165.4 | 173 | -90.6 | 97.8 | 95.2 | 0 | 0 | 114.8 | | |
| 149 | E | 32.3 | Very low | 35 | Very low | 185 Ų | 185 | 133.1 Ų | 133.1 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | cis | -155 | 151 | -18 | 45.6 | -172.2 | 172.2 | 0 | 0 | 109.3 | | |
| 150 | G | 39.5 | Very low | 34.7 | Very low | 79 Ų | 79 | 134 Ų | 134 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | | | trans | 157.1 | 64.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 151 | A | 33.1 | Very low | 34.5 | Very low | 101 Ų | 101 | 136.8 Ų | 136.8 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | | | trans | -72.1 | 155 | -173 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 152 | P | 48.3 | Very low | 34 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | | | trans | -95.9 | 159.5 | -165.8 | 37.9 | -37.1 | 0 | 0 | 0 | 114.6 | | |
| 153 | Q | 33.5 | Very low | 34.1 | Very low | 199 Ų | 199 | 133.4 Ų | 133.4 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | | | trans | -157.5 | 131.6 | 168.3 | -164 | 164 | -13.6 | 0 | 0 | 114 | | |
| 154 | G | 32.9 | Very low | 34 | Very low | 67 Ų | 67 | 134.7 Ų | 134.7 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | | | trans | 70.9 | 86.6 | 168 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 155 | Q | 30.1 | Very low | 33.8 | Very low | 192 Ų | 192 | 133.8 Ų | 133.8 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | | | | 56.4 | 104.2 | 65.7 | -67 | -163.2 | -93.9 | 0 | 0 | 116.4 | | |
| 156 | D | 30 | Very low | 34 | Very low | 143 Ų | 143 | 136 Ų | 136 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | | | trans | 86.6 | 126.3 | 137.1 | -142.6 | -8.5 | 0 | 0 | 0 | 120.8 | | |
| 157 | S | 34.7 | Very low | 34.2 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | | | trans | 46.8 | 120.1 | 155.7 | -67.3 | 0 | 0 | 0 | 0 | 123.1 | | |
| 158 | A | 34.4 | Very low | 34.5 | Very low | 90 Ų | 90 | 142.7 Ų | 142.7 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | | | trans | 89.4 | 125.7 | 135.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 159 | Q | 33.8 | Very low | 34.5 | Very low | 188 Ų | 188 | 140.6 Ų | 140.6 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | | | trans | 70.7 | 139.1 | 165.9 | -51 | -169.4 | 2.1 | 0 | 0 | 113.2 | | |
| 160 | D | 29.6 | Very low | 34.8 | Very low | 133 Ų | 133 | 139.5 Ų | 139.5 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | | | cis | -139.9 | 164.5 | 47.4 | -135.8 | -30.8 | 0 | 0 | 0 | 115.6 | | |
| 161 | I | 36.3 | Very low | 34.8 | Very low | 166 Ų | 166 | 144 Ų | 144 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | | | trans | -117.4 | 94.5 | 174.2 | 42.2 | 156.6 | 0 | 0 | 0 | 110.8 | | |
| 162 | T | 28.6 | Very low | 35 | Very low | 118 Ų | 118 | 146.8 Ų | 146.8 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | | | trans | -128.3 | 104 | 177.6 | 53.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 163 | S | 38.4 | Very low | 34.6 | Very low | 133 Ų | 133 | 149.4 Ų | 149.4 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | | | trans | -66.2 | 127.1 | 159.4 | -52.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 164 | E | 32.3 | Very low | 34.8 | Very low | 155 Ų | 155 | 146.9 Ų | 146.9 | 72% | 0.724 | 80% | 0.797 | S | S | * | * | | | trans | -123.1 | 141 | 162.1 | 72.3 | 159 | -120.4 | 0 | 0 | 111.8 | R166 | E164-R166 IonicContact OE1-CZ 3.36Å; E164-R166 IonicContact OE1-NH2 3.22Å; E164-R166 PolarHBondContact OE1-NH2 2.94Å |
| 165 | S | 33.3 | Very low | 34.9 | Very low | 106 Ų | 106 | 150.8 Ų | 150.8 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | | | trans | -82.2 | 150.1 | -168.7 | -46.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 166 | R | 37.1 | Very low | 35.2 | Very low | 211 Ų | 211 | 146.6 Ų | 146.6 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | | | trans | -152.5 | 83.4 | 145.9 | -121.8 | 156 | -79.1 | -160.4 | 2.4 | 112.9 | E164 | E164-R166 IonicContact OE1-CZ 3.36Å; E164-R166 IonicContact OE1-NH2 3.22Å; E164-R166 PolarHBondContact OE1-NH2 2.94Å |
| 167 | E | 35.6 | Very low | 35.4 | Very low | 177 Ų | 177 | 150.2 Ų | 150.2 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | | | trans | -39.1 | 132.2 | 148.1 | 169.7 | -176.8 | -133.7 | 0 | 0 | 111.5 | | |
| 168 | L | 36.5 | Very low | 35.9 | Very low | 158 Ų | 158 | 150.4 Ų | 150.4 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | | | trans | -171.2 | 103.7 | 135.5 | -101.2 | -179.6 | 0 | 0 | 0 | 110.5 | | |
| 169 | D | 35.2 | Very low | 35.7 | Very low | 125 Ų | 125 | 154.4 Ų | 154.4 | 67% | 0.668 | 80% | 0.8 | S | S | * | * | | | trans | 0.2 | 129 | 146.9 | -170.5 | 17.7 | 0 | 0 | 0 | 118.5 | | |
| 170 | N | 38.2 | Very low | 35.9 | Very low | 161 Ų | 161 | 150.5 Ų | 150.5 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | | | trans | -153.6 | 122.1 | 143.3 | -96.4 | -88.6 | 0 | 0 | 0 | 109.3 | | |
| 171 | E | 39.2 | Very low | 36.2 | Very low | 175 Ų | 175 | 152.2 Ų | 152.2 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -69.3 | 123.8 | 172 | 58.6 | -160.4 | 124.5 | 0 | 0 | 112.9 | | |
| 172 | D | 37.9 | Very low | 36.2 | Very low | 159 Ų | 159 | 149.6 Ų | 149.6 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | | | trans | -156.3 | 159.4 | 139.5 | -152.4 | 3.4 | 0 | 0 | 0 | 112.5 | | |
| 173 | Q | 38.6 | Very low | 36.6 | Very low | 178 Ų | 178 | 152.8 Ų | 152.8 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | | | trans | -92.4 | 107.5 | -158.6 | 175.3 | 168.9 | 96.3 | 0 | 0 | 113.8 | | |
| 174 | V | 37.9 | Very low | 36.6 | Very low | 146 Ų | 146 | 153.8 Ų | 153.8 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | | | trans | -136.6 | 117.7 | 158 | -76.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 175 | D | 35.4 | Very low | 37.1 | Very low | 149 Ų | 149 | 154.7 Ų | 154.7 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | | | trans | -108.2 | 122.1 | 174.8 | -156.1 | -11 | 0 | 0 | 0 | 110.9 | | |
| 176 | S | 35.4 | Very low | 37.8 | Very low | 105 Ų | 105 | 160.5 Ų | 160.5 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | | | trans | 11 | 112.4 | 155 | -38.6 | 0 | 0 | 0 | 0 | 119.3 | | |
| 177 | R | 34.3 | Very low | 38.1 | Very low | 219 Ų | 219 | 157.4 Ų | 157.4 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | | | | 166.5 | 143.6 | 108.5 | -175.7 | 171.7 | 175.8 | 148.3 | -3.2 | 111.2 | | |
| 178 | P | 46.3 | Very low | 38.4 | Very low | 107 Ų | 107 | 152.7 Ų | 152.7 | 70% | 0.695 | 81% | 0.808 | S | S | * | * | | | trans | -79.6 | 137 | 168.9 | 31.7 | -34.7 | 0 | 0 | 0 | 111.9 | | |
| 179 | E | 29.8 | Very low | 38.5 | Very low | 174 Ų | 174 | 149.1 Ų | 149.1 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | | | trans | -80.1 | 139.1 | 166.9 | -60.8 | -71.2 | 91.2 | 0 | 0 | 109.2 | | |
| 180 | S | 37.8 | Very low | 38.8 | Very low | 106 Ų | 106 | 148.9 Ų | 148.9 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | | | trans | -158 | 100.2 | 168.8 | -66.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 181 | D | 35.3 | Very low | 39.1 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | | | trans | -149 | 154.2 | 162.8 | -85.8 | -48.7 | 0 | 0 | 0 | 107.2 | | |
| 182 | S | 36.8 | Very low | 39.3 | Very low | 110 Ų | 110 | 143.8 Ų | 143.8 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | | | trans | -125.9 | 121.7 | -169.4 | -56 | 0 | 0 | 0 | 0 | 109.4 | | |
| 183 | E | 38.1 | Very low | 39.8 | Very low | 185 Ų | 185 | 140 Ų | 140 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | -125.8 | 115.2 | 180 | -155 | 86.1 | 172.3 | 0 | 0 | 109.9 | | |
| 184 | E | 38.7 | Very low | 40.2 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | | | trans | -73.6 | 148.4 | 176.5 | 53.8 | -117.6 | 63.2 | 0 | 0 | 113.9 | | |
| 185 | H | 41.8 | Very low | 40.4 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | | | trans | -120.9 | 117.7 | -178.1 | 66.2 | 90.8 | 0 | 0 | 0 | 112.8 | | |
| 186 | W | 47.3 | Very low | 41 | Very low | 227 Ų | 227 | 134.8 Ų | 134.8 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | -78 | 133.2 | -170.6 | -72.2 | 84.4 | 0 | 0 | 0 | 115 | | |
| 187 | V | 44.4 | Very low | 41.5 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | | | trans | -165.3 | 132.1 | 142.7 | -96.3 | 0 | 0 | 0 | 0 | 106.9 | | |
| 188 | G | 42.4 | Very low | 41.9 | Very low | 78 Ų | 78 | 132.1 Ų | 132.1 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | cis | 140.3 | 104.8 | 2.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 189 | G | 38.5 | Very low | 42.2 | Very low | 83 Ų | 83 | 134.8 Ų | 134.8 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | | | trans | -170.4 | 117.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 190 | V | 40.8 | Very low | 43.2 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | | | trans | -98.6 | 156.6 | 179.2 | -65.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 191 | S | 43.9 | Very low | 43.5 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | | | trans | -153.5 | 102 | 164.2 | -77.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 192 | D | 43.9 | Very low | 44.1 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 55% | 0.545 | 79% | 0.785 | S | S | . | * | | | trans | -69.8 | 135.1 | 175.9 | -59.6 | -50 | 0 | 0 | 0 | 111.3 | S401 | D192-S401 PolarHBondContact OD2-OG 3.12Š|
| 193 | G | 49.3 | Very low | 44.9 | Very low | 79 Ų | 79 | 133 Ų | 133 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | | | trans | -109.9 | 68.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | S195 | G193-S195 PolarHBondContact O-N 2.98Š|
| 194 | E | 46.6 | Very low | 45.4 | Very low | 150 Ų | 150 | 131.2 Ų | 131.2 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | trans | -69.4 | 120.4 | 175.3 | 59.5 | 167 | 117.3 | 0 | 0 | 111.9 | | |
| 195 | S | 40.9 | Very low | 46.3 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | -148.4 | 141.9 | 157.2 | 75.9 | 0 | 0 | 0 | 0 | 108.9 | G193 | G193-S195 PolarHBondContact O-N 2.98Š|
| 196 | S | 47.8 | Very low | 47 | Very low | 92 Ų | 92 | 130.5 Ų | 130.5 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | | | trans | -129.9 | 150.3 | -162.7 | -165.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 197 | H | 47.3 | Very low | 47.5 | Very low | 179 Ų | 179 | 122.6 Ų | 122.6 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | | | trans | 68.9 | 88.7 | 169.6 | -47.8 | -57.9 | 0 | 0 | 0 | 117.3 | | |
| 198 | G | 43 | Very low | 48 | Very low | 88 Ų | 88 | 124 Ų | 124 | 91% | 0.907 | 77% | 0.772 | S | S | * | * | | | trans | -119.3 | 77.4 | 152.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 199 | D | 52 | Low | 48.8 | Very low | 164 Ų | 164 | 128.8 Ų | 128.8 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | | | trans | -83.9 | 145.9 | 177.9 | -178.9 | 29.4 | 0 | 0 | 0 | 111.4 | | |
| 200 | G | 50.2 | Low | 49.7 | Very low | 57 Ų | 57 | 129.2 Ų | 129.2 | 59% | 0.588 | 76% | 0.763 | S | S | * | * | | | trans | 86.3 | 86.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 201 | S | 44.8 | Very low | 50.3 | Low | 94 Ų | 94 | 131.9 Ų | 131.9 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | | | | -165.5 | 109.7 | 114.8 | -76.4 | 0 | 0 | 0 | 0 | 110.7 | F203 | S201-F203 PolarHBondContact O-N 2.79Š|
| 202 | E | 48.7 | Very low | 50.8 | Low | 189 Ų | 189 | 132.4 Ų | 132.4 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | | | trans | -69.8 | 120.1 | 160 | 62.1 | -148 | 141.9 | 0 | 0 | 108.8 | | |
| 203 | F | 51.8 | Low | 51.8 | Low | 182 Ų | 182 | 133.3 Ų | 133.3 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | | | trans | -111.7 | 105.2 | 167 | -73 | -75.1 | 0 | 0 | 0 | 107.7 | S201 D205 | S201-F203 PolarHBondContact O-N 2.79Å; F203-D205 PolarHBondContact O-N 3.03Å; F203-D205 VanDerWaalsContact O-N 3.1Å |
| 204 | D | 49.6 | Very low | 51.4 | Low | 147 Ų | 147 | 136.1 Ų | 136.1 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | | | trans | -62.8 | 104.6 | 167.5 | -81.2 | -30.4 | 0 | 0 | 0 | 108.9 | E206 | D204-E206 HydrophobicContact CB-CB 4.27Å; D204-E206 HydrophobicContact CB-CG 4.43Å; D204-E206 PolarHBondContact O-N 2.83Å; D204-E206 VanDerWaalsContact O-N 3.16Å |
| 205 | D | 57.7 | Low | 51.3 | Low | 140 Ų | 140 | 134.7 Ų | 134.7 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | | | trans | -83 | 33.8 | 166.7 | -158.8 | 17.4 | 0 | 0 | 0 | 111.2 | F203 G207 | F203-D205 PolarHBondContact O-N 3.03Å; F203-D205 VanDerWaalsContact O-N 3.1Å; D205-G207 PolarHBondContact O-N 2.96Å |
| 206 | E | 55.5 | Low | 51.7 | Low | 174 Ų | 174 | 135.7 Ų | 135.7 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | | | trans | -89.1 | 77.1 | -178.5 | -75.3 | -81.7 | 174.9 | 0 | 0 | 109.7 | D204 | D204-E206 HydrophobicContact CB-CB 4.27Å; D204-E206 HydrophobicContact CB-CG 4.43Å; D204-E206 PolarHBondContact O-N 2.83Å; D204-E206 VanDerWaalsContact O-N 3.16Å |
| 207 | G | 58.8 | Low | 51.7 | Low | 60 Ų | 60 | 140.8 Ų | 140.8 | 62% | 0.619 | 78% | 0.78 | S | S | * | * | | | trans | 168.7 | 10.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 122.9 | D205 Q209 | D205-G207 PolarHBondContact O-N 2.96Å; G207-Q209 PolarHBondContact O-N 2.95Å |
| 208 | M | 55.5 | Low | 51.5 | Low | 175 Ų | 175 | 137.9 Ų | 137.9 | 86% | 0.862 | 78% | 0.78 | S | S | * | * | | | trans | -74 | 67.8 | 173.6 | -67.4 | -148.7 | -172.7 | 0 | 0 | 112.8 | | |
| 209 | Q | 59.3 | Low | 51.5 | Low | 179 Ų | 179 | 140.2 Ų | 140.2 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | | | trans | -94.1 | 96.3 | 177.2 | -63.7 | -152.6 | -64.1 | 0 | 0 | 112.5 | G207 | G207-Q209 PolarHBondContact O-N 2.95Š|
| 210 | S | 56.5 | Low | 50.9 | Low | 92 Ų | 92 | 143.9 Ų | 143.9 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | | | trans | 46.1 | 116.5 | 144.9 | 58.8 | 0 | 0 | 0 | 0 | 120 | D212 | S210-D212 VanDerWaalsContact C-N 3.33Å; S210-D212 PolarHBondContact O-N 2.99Å |
| 211 | D | 53.8 | Low | 50.6 | Low | 177 Ų | 177 | 144.2 Ų | 144.2 | 95% | 0.947 | 77% | 0.772 | S | S | * | * | | | trans | -64.3 | 87.6 | 151.2 | -79.8 | -56.2 | 0 | 0 | 0 | 110.7 | | |
| 212 | D | 53.7 | Low | 50.3 | Low | 137 Ų | 137 | 146.7 Ų | 146.7 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | | | trans | -128.9 | 125.6 | 169.7 | -114.7 | -39.2 | 0 | 0 | 0 | 111.2 | S210 D214 | S210-D212 VanDerWaalsContact C-N 3.33Å; S210-D212 PolarHBondContact O-N 2.99Å; D212-D214 PolarHBondContact O-N 2.83Å; D212-D214 VanDerWaalsContact O-N 3.15Å |
| 213 | P | 64.1 | Low | 49.6 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | | | trans | -94.9 | 62.3 | -155.5 | 38.1 | -39.7 | 0 | 0 | 0 | 115.5 | | |
| 214 | D | 42.1 | Very low | 49.1 | Very low | 138 Ų | 138 | 145.6 Ų | 145.6 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | | | trans | -120.5 | 56.9 | -176.4 | -119.7 | -35.9 | 0 | 0 | 0 | 115.6 | D212 I216 | D212-D214 PolarHBondContact O-N 2.83Å; D212-D214 VanDerWaalsContact O-N 3.15Å; D214-I216 PolarHBondContact O-N 3.24Å |
| 215 | S | 44.8 | Very low | 48.6 | Very low | 120 Ų | 120 | 146.8 Ų | 146.8 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | | | trans | -77.5 | 58.4 | 177.1 | -159 | 0 | 0 | 0 | 0 | 113.8 | R217 | S215-R217 VanDerWaalsContact C-N 3.27Å; S215-R217 PolarHBondContact O-N 2.85Å |
| 216 | I | 48.3 | Very low | 47.7 | Very low | 144 Ų | 144 | 148.1 Ų | 148.1 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | | | trans | -73.7 | 80.3 | 169.7 | 51.8 | 161.1 | 0 | 0 | 0 | 111.3 | D214 S218 | D214-I216 PolarHBondContact O-N 3.24Å; I216-S218 VanDerWaalsContact C-N 3.32Å; I216-S218 PolarHBondContact O-N 3.43Å |
| 217 | R | 49.1 | Very low | 47 | Very low | 198 Ų | 198 | 145.5 Ų | 145.5 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | | | trans | -60.8 | 77.6 | -175.8 | -171.3 | 179.2 | 175.7 | 166.8 | 0.1 | 114.2 | S215 E219 | S215-R217 VanDerWaalsContact C-N 3.27Å; S215-R217 PolarHBondContact O-N 2.85Å; R217-E219 HydrophobicContact CG-CG 4.37Å; R217-E219 IonicContact CZ-OE1 2.73Å; R217-E219 IonicContact NE-OE1 2.69Å; R217-E219 PolarHBondContact NE-OE1 3.38Å; R217-E219 IonicContact NH2-OE1 3.16Å; R217-E219 PolarHBondContact NH2-OE1 2.99Å; R217-E219 PolarHBondContact O-N 2.94Å; R217-E219 VanDerWaalsContact O-N 3.11Å |
| 218 | S | 42 | Very low | 46 | Very low | 118 Ų | 118 | 147.5 Ų | 147.5 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | -84.2 | 71.8 | 177 | -162.3 | 0 | 0 | 0 | 0 | 111.7 | I216 R220 | I216-S218 VanDerWaalsContact C-N 3.32Å; I216-S218 PolarHBondContact O-N 3.43Å; S218-R220 PolarHBondContact O-N 3.36Å |
| 219 | E | 43.5 | Very low | 45 | Very low | 138 Ų | 138 | 142.9 Ų | 142.9 | 65% | 0.645 | 80% | 0.798 | S | S | * | * | | | trans | -68.3 | 104.8 | 174.1 | -86.1 | 179.6 | -147.1 | 0 | 0 | 111.3 | R217 G221 | R217-E219 HydrophobicContact CG-CG 4.37Å; R217-E219 IonicContact CZ-OE1 2.73Å; R217-E219 IonicContact NE-OE1 2.69Å; R217-E219 PolarHBondContact NE-OE1 3.38Å; R217-E219 IonicContact NH2-OE1 3.16Å; R217-E219 PolarHBondContact NH2-OE1 2.99Å; R217-E219 PolarHBondContact O-N 2.94Å; R217-E219 VanDerWaalsContact O-N 3.11Å; E219-G221 PolarHBondContact O-N 2.98Å |
| 220 | R | 39.6 | Very low | 43.8 | Very low | 240 Ų | 240 | 143.4 Ų | 143.4 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | | | trans | -56.8 | 123.2 | -177.1 | -161 | 177.2 | -167.5 | 172.4 | 5 | 111.7 | S218 | S218-R220 PolarHBondContact O-N 3.36Š|
| 221 | G | 43.9 | Very low | 42.5 | Very low | 64 Ų | 64 | 149 Ų | 149 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | | | trans | -70.3 | 157.3 | -164.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | E219 | E219-G221 PolarHBondContact O-N 2.98Š|
| 222 | N | 37.3 | Very low | 41.7 | Very low | 147 Ų | 147 | 146.6 Ų | 146.6 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | | | trans | -130.8 | 59.4 | 174.5 | -63.7 | 140.2 | 0 | 0 | 0 | 113 | R224 | N222-R224 PolarHBondContact O-N 3.45Š|
| 223 | S | 35.7 | Very low | 41 | Very low | 121 Ų | 121 | 149.7 Ų | 149.7 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | | | trans | -71.4 | 61.6 | 175 | -59.9 | 0 | 0 | 0 | 0 | 113.2 | M225 | S223-M225 PolarHBondContact O-N 3.22Š|
| 224 | R | 39.8 | Very low | 39.7 | Very low | 226 Ų | 226 | 153.3 Ų | 153.3 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | | | trans | -71.5 | 124.8 | 175.1 | -82.5 | -176.3 | 168.1 | 159.6 | -1.3 | 110.9 | N222 N226 | N222-R224 PolarHBondContact O-N 3.45Å; R224-N226 PolarHBondContact O-N 2.94Å |
| 225 | M | 39.2 | Very low | 39.5 | Very low | 173 Ų | 173 | 152.3 Ų | 152.3 | 85% | 0.852 | 83% | 0.83 | S | S | * | * | | | trans | -79.1 | 106.4 | -172.1 | -46.9 | 108.2 | 87.2 | 0 | 0 | 111.9 | S223 S227 | S223-M225 PolarHBondContact O-N 3.22Å; M225-S227 PolarHBondContact O-N 2.74Å |
| 226 | N | 38.9 | Very low | 39.1 | Very low | 167 Ų | 167 | 150 Ų | 150 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | | | trans | -87 | 92.7 | 168.9 | -92.2 | 6.1 | 0 | 0 | 0 | 111 | R224 | R224-N226 PolarHBondContact O-N 2.94Š|
| 227 | S | 42 | Very low | 38.3 | Very low | 120 Ų | 120 | 151.6 Ų | 151.6 | 84% | 0.839 | 83% | 0.829 | S | S | * | * | | | trans | -82.6 | 111.6 | 175 | 46.6 | 0 | 0 | 0 | 0 | 111.9 | M225 | M225-S227 PolarHBondContact O-N 2.74Š|
| 228 | A | 37.3 | Very low | 37.7 | Very low | 102 Ų | 102 | 148.3 Ų | 148.3 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | | | trans | -152.6 | 135.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 229 | G | 34.9 | Very low | 37.2 | Very low | 78 Ų | 78 | 148.6 Ų | 148.6 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | | | trans | 90 | 60.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | K231 | G229-K231 PolarHBondContact O-N 3.34Š|
| 230 | M | 32.5 | Very low | 36.7 | Very low | 189 Ų | 189 | 149 Ų | 149 | 93% | 0.931 | 82% | 0.821 | S | S | * | * | | | trans | -60.6 | 121 | 162.3 | -70 | 176.9 | 166.6 | 0 | 0 | 111.8 | | |
| 231 | K | 30.5 | Very low | 36.4 | Very low | 211 Ų | 211 | 146 Ų | 146 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | | | trans | -145.4 | 95.9 | 154.8 | -70.8 | -162.9 | 177.8 | -178.2 | 0 | 110.7 | G229 | G229-K231 PolarHBondContact O-N 3.34Š|
| 232 | S | 35.7 | Very low | 35.7 | Very low | 125 Ų | 125 | 147.6 Ų | 147.6 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | | | trans | -74.2 | 169.7 | 176.9 | -65.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 233 | K | 39.6 | Very low | 35.3 | Very low | 202 Ų | 202 | 147.1 Ų | 147.1 | 88% | 0.878 | 82% | 0.821 | S | S | * | * | | | trans | -63 | 156.3 | -173.8 | -67.1 | 177.1 | 179.8 | 174.2 | 0 | 114.3 | S235 | K233-S235 PolarHBondContact O-N 2.74Š|
| 234 | E | 37.7 | Very low | 35.1 | Very low | 198 Ų | 198 | 145.9 Ų | 145.9 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | | | trans | -40.2 | 113.4 | 156.5 | 178.8 | -174.8 | 166.3 | 0 | 0 | 114.1 | | |
| 235 | S | 37 | Very low | 34.7 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | | | trans | -159 | 151.3 | 149.6 | 59.1 | 0 | 0 | 0 | 0 | 108.8 | K233 | K233-S235 PolarHBondContact O-N 2.74Š|
| 236 | G | 36.9 | Very low | 34 | Very low | 70 Ų | 70 | 142.3 Ų | 142.3 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | | | trans | -103 | 175 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 237 | E | 31.8 | Very low | 33.9 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | 76.6 | 120.3 | 158 | -60.9 | -170.2 | 80.7 | 0 | 0 | 121.1 | | |
| 238 | N | 35.2 | Very low | 33.3 | Very low | 130 Ų | 130 | 140.2 Ų | 140.2 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | | | trans | 50.1 | 122.9 | 142.3 | 60.5 | 25.8 | 0 | 0 | 0 | 126 | | |
| 239 | N | 32.4 | Very low | 33 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 66% | 0.663 | 80% | 0.801 | S | S | * | * | | | trans | 74.8 | 118.4 | 134.6 | -78.3 | 33.2 | 0 | 0 | 0 | 124.5 | | |
| 240 | E | 33.4 | Very low | 33 | Very low | 147 Ų | 147 | 144.2 Ų | 144.2 | 69% | 0.687 | 80% | 0.799 | S | S | * | * | | | | 75.4 | 100.8 | 123 | -66.3 | 171.6 | 157.3 | 0 | 0 | 122.3 | | |
| 241 | Q | 32.3 | Very low | 33 | Very low | 176 Ų | 176 | 143.7 Ų | 143.7 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | | | | 72.5 | 141.1 | 126.3 | -67.2 | -168.5 | -101.2 | 0 | 0 | 122.3 | | |
| 242 | A | 29.3 | Very low | 33.2 | Very low | 98 Ų | 98 | 140.3 Ų | 140.3 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | | | trans | 67.3 | 152.7 | 154.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 243 | N | 30.4 | Very low | 32.9 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | cis | 165.4 | 174.1 | -10.9 | -179.8 | 23 | 0 | 0 | 0 | 102.9 | | |
| 244 | T | 30.7 | Very low | 32.5 | Very low | 96 Ų | 96 | 141 Ų | 141 | 59% | 0.589 | 78% | 0.782 | S | S | * | * | | | trans | 64.2 | 111.3 | 170.3 | 54.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 245 | Q | 31.8 | Very low | 32.7 | Very low | 181 Ų | 181 | 140.4 Ų | 140.4 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | | 78 | 145.6 | 83.3 | -75 | 177.7 | -101.8 | 0 | 0 | 114.9 | | |
| 246 | D | 25 | Very low | 33.1 | Very low | 143 Ų | 143 | 140.3 Ų | 140.3 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | | | trans | 112.3 | 158.6 | 138.7 | -141.9 | 10.9 | 0 | 0 | 0 | 118.7 | | |
| 247 | L | 34.9 | Very low | 33 | Very low | 164 Ų | 164 | 142.9 Ų | 142.9 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | | | trans | -71.4 | 164.5 | -168.6 | -61.6 | 155.1 | 0 | 0 | 0 | 113.7 | | |
| 248 | G | 30 | Very low | 33.1 | Very low | 79 Ų | 79 | 145.1 Ų | 145.1 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | | | trans | -176.7 | 90.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 249 | D | 30.4 | Very low | 33.6 | Very low | 156 Ų | 156 | 148.6 Ų | 148.6 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | | | trans | -70.5 | 173.8 | 170.4 | -73.8 | -68.8 | 0 | 0 | 0 | 113.9 | | |
| 250 | S | 36 | Very low | 34.3 | Very low | 108 Ų | 108 | 148.2 Ų | 148.2 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | | | trans | 94.9 | 109.6 | 166.9 | -39.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 251 | Q | 31.8 | Very low | 34.6 | Very low | 177 Ų | 177 | 151.2 Ų | 151.2 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | | | | 74.6 | 143.6 | 53.6 | -66.4 | -159.6 | 29.4 | 0 | 0 | 116.1 | | |
| 252 | L | 35.1 | Very low | 34.7 | Very low | 141 Ų | 141 | 152.2 Ų | 152.2 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | | | trans | 79.7 | 99.2 | 157.8 | -70 | 165.4 | 0 | 0 | 0 | 120.6 | | |
| 253 | L | 30.4 | Very low | 35 | Very low | 166 Ų | 166 | 156.7 Ų | 156.7 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | | | | 85.7 | 166.5 | 118.9 | -126.9 | 71.7 | 0 | 0 | 0 | 121.7 | | |
| 254 | E | 30.5 | Very low | 35.4 | Very low | 174 Ų | 174 | 154.5 Ų | 154.5 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | | | trans | 89.3 | 65 | 165 | -149.3 | 166 | -163.2 | 0 | 0 | 120.1 | | |
| 255 | H | 42.5 | Very low | 35.8 | Very low | 187 Ų | 187 | 158 Ų | 158 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | | | trans | -67.8 | 145.6 | 135.2 | -53.8 | -56.1 | 0 | 0 | 0 | 108.4 | | |
| 256 | P | 45.2 | Very low | 36.2 | Very low | 116 Ų | 116 | 156.5 Ų | 156.5 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | | | | -151.8 | 159.9 | 50.9 | 40.2 | -20.1 | 0 | 0 | 0 | 118.3 | | |
| 257 | S | 34.2 | Very low | 36.7 | Very low | 123 Ų | 123 | 153.4 Ų | 153.4 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | trans | -150.4 | 90.8 | 158.7 | 61 | 0 | 0 | 0 | 0 | 115.4 | K259 | S257-K259 PolarHBondContact O-N 3.39Š|
| 258 | R | 34.5 | Very low | 36.9 | Very low | 225 Ų | 225 | 151.3 Ų | 151.3 | 85% | 0.849 | 77% | 0.767 | S | S | * | * | | | trans | -75.7 | 116.5 | 173.9 | 173.1 | -170.5 | -83.9 | 176.8 | -6.7 | 111.8 | I260 | R258-I260 HydrophobicContact CG-CD1 4.2Å; R258-I260 HydrophobicContact CG-CG1 4.25Å |
| 259 | K | 45.3 | Very low | 37.3 | Very low | 204 Ų | 204 | 154.8 Ų | 154.8 | 89% | 0.887 | 76% | 0.762 | S | S | * | * | | | trans | -140.3 | 144.4 | 157.9 | -71 | -171.1 | 179.6 | 173.1 | 0 | 110.6 | S257 | S257-K259 PolarHBondContact O-N 3.39Š|
| 260 | I | 46.1 | Very low | 37.9 | Very low | 116 Ų | 116 | 154.6 Ų | 154.6 | 60% | 0.595 | 76% | 0.761 | S | S | * | * | | | trans | -136.4 | 128.6 | -162.9 | -51.9 | 168.7 | 0 | 0 | 0 | 111.6 | R258 | R258-I260 HydrophobicContact CG-CD1 4.2Å; R258-I260 HydrophobicContact CG-CG1 4.25Å |
| 261 | F | 41.2 | Very low | 38.4 | Very low | 209 Ų | 209 | 155.6 Ų | 155.6 | 92% | 0.917 | 76% | 0.758 | S | S | * | * | | | trans | -143.2 | 88 | 153.6 | -66.1 | -74.5 | 0 | 0 | 0 | 106.8 | | |
| 262 | R | 33.9 | Very low | 38.9 | Very low | 197 Ų | 197 | 159 Ų | 159 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | | | | 55.1 | 112.9 | 82.7 | -147 | -157.6 | -80 | -163.8 | -6.3 | 110.9 | S264 | R262-S264 WeakPolarHBondContact CA-OG 3.29Å; R262-S264 PolarHBondContact N-OG 3.27Å |
| 263 | K | 34.3 | Very low | 39.2 | Very low | 192 Ų | 192 | 155.6 Ų | 155.6 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | | | cis | -135.9 | 122.9 | 31.6 | -40.2 | 95.3 | 78.5 | 176.7 | 0 | 109.9 | | |
| 264 | S | 39 | Very low | 39.8 | Very low | 91 Ų | 91 | 155.4 Ų | 155.4 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | | | cis | 73.4 | 129.6 | 2.5 | -28.4 | 0 | 0 | 0 | 0 | 116.4 | R262 | R262-S264 WeakPolarHBondContact CA-OG 3.29Å; R262-S264 PolarHBondContact N-OG 3.27Å |
| 265 | R | 39.7 | Very low | 40.2 | Very low | 170 Ų | 170 | 155.2 Ų | 155.2 | 64% | 0.642 | 75% | 0.754 | S | S | * | * | | | cis | -65 | -160.4 | -4.8 | -130.7 | -168.5 | 179.9 | -152.8 | 11.2 | 111.8 | E268 | R265-E268 IonicContact CZ-OE1 3.21Å; R265-E268 IonicContact CZ-OE2 3.05Å; R265-E268 IonicContact NE-OE2 2.73Å; R265-E268 VanDerWaalsContact NH1-CD 3.34Å; R265-E268 IonicContact NH1-OE1 2.69Å; R265-E268 PolarHBondContact NH1-OE1 3.14Å; R265-E268 IonicContact NH1-OE2 3.13Å; R265-E268 PolarHBondContact NH1-OE2 3.47Å; R265-E268 IonicContact NH2-OE1 2.82Å; R265-E268 PolarHBondContact NH2-OE1 3.48Å; R265-E268 IonicContact NH2-OE2 2.6Å; R265-E268 PolarHBondContact NH2-OE2 3.08Å |
| 266 | I | 40.3 | Very low | 40.1 | Very low | 149 Ų | 149 | 152.5 Ų | 152.5 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | | | cis | -140.7 | 151.8 | 15.2 | 10.8 | 173.5 | 0 | 0 | 0 | 107.1 | | |
| 267 | S | 35.9 | Very low | 39.8 | Very low | 77 Ų | 77 | 150 Ų | 150 | 54% | 0.538 | 73% | 0.726 | S | S | . | * | | | cis | 77.1 | 133.2 | 9.3 | -54 | 0 | 0 | 0 | 0 | 117.2 | | |
| 268 | E | 37.9 | Very low | 40.2 | Very low | 120 Ų | 120 | 150.3 Ų | 150.3 | 56% | 0.561 | 72% | 0.718 | S | S | * | * | | | cis | -114 | 166.8 | 27.1 | -134.6 | 71.3 | 90.1 | 0 | 0 | 114.9 | R265 | R265-E268 IonicContact CZ-OE1 3.21Å; R265-E268 IonicContact CZ-OE2 3.05Å; R265-E268 IonicContact NE-OE2 2.73Å; R265-E268 VanDerWaalsContact NH1-CD 3.34Å; R265-E268 IonicContact NH1-OE1 2.69Å; R265-E268 PolarHBondContact NH1-OE1 3.14Å; R265-E268 IonicContact NH1-OE2 3.13Å; R265-E268 PolarHBondContact NH1-OE2 3.47Å; R265-E268 IonicContact NH2-OE1 2.82Å; R265-E268 PolarHBondContact NH2-OE1 3.48Å; R265-E268 IonicContact NH2-OE2 2.6Å; R265-E268 PolarHBondContact NH2-OE2 3.08Å |
| 269 | E | 40.1 | Very low | 40.5 | Very low | 152 Ų | 152 | 146.9 Ų | 146.9 | 71% | 0.71 | 72% | 0.717 | S | S | * | * | | | trans | -54.5 | 155.6 | 175.4 | 50.1 | -104.8 | 37.5 | 0 | 0 | 116.4 | | |
| 270 | D | 41.3 | Very low | 40.1 | Very low | 152 Ų | 152 | 143.7 Ų | 143.7 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | | | cis | 95.4 | 134.9 | 20.1 | -160.5 | 39.8 | 0 | 0 | 0 | 116.2 | | |
| 271 | D | 47.3 | Very low | 40.3 | Very low | 130 Ų | 130 | 145.5 Ų | 145.5 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | | | trans | -36.1 | 135.9 | -161 | -72.2 | -23.3 | 0 | 0 | 0 | 121.2 | | |
| 272 | R | 41.4 | Very low | 40.2 | Very low | 247 Ų | 247 | 142.5 Ų | 142.5 | 93% | 0.932 | 71% | 0.711 | S | S | * | * | | | | 172 | 144.6 | 122.9 | -85.7 | 140.1 | -151.6 | -78.8 | -8.5 | 110.5 | | |
| 273 | G | 41.9 | Very low | 40.1 | Very low | 71 Ų | 71 | 138 Ų | 138 | 73% | 0.732 | 70% | 0.698 | S | S | * | * | | | cis | 147.4 | 114.1 | -4.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 274 | E | 43.1 | Very low | 40.4 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | | | trans | 45.5 | 108.9 | 152.1 | -136.2 | 173.3 | -177.2 | 0 | 0 | 119.3 | | |
| 275 | F | 39.2 | Very low | 40.1 | Very low | 170 Ų | 170 | 138.1 Ų | 138.1 | 75% | 0.746 | 70% | 0.699 | S | S | * | * | | | | 160.7 | 168.1 | 120 | -83.1 | -61.8 | 0 | 0 | 0 | 111.9 | | |
| 276 | D | 41.3 | Very low | 40 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | | | trans | -95 | -166.8 | -152.7 | -63.7 | -89.4 | 0 | 0 | 0 | 116.3 | | |
| 277 | D | 38.3 | Very low | 39.7 | Very low | 64 Ų | 64 | 135.4 Ų | 135.4 | 34% | 0.342 | 71% | 0.708 | S | S | . | * | | | trans | 88.2 | 102.5 | 160 | -66.8 | -48.2 | 0 | 0 | 0 | 121.6 | P66 | P66-D277 WeakPolarHBondContact CG-OD2 3.41Š|
| 278 | N | 41.8 | Very low | 39.7 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 68% | 0.684 | 73% | 0.726 | S | S | * | * | | | | 62.5 | 98.3 | 122.7 | -71.1 | -53.7 | 0 | 0 | 0 | 121.6 | | |
| 279 | N | 41.3 | Very low | 39.6 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | | | trans | 47.7 | 108.7 | 130.7 | -169.6 | 26.6 | 0 | 0 | 0 | 119.5 | | |
| 280 | T | 36.8 | Very low | 39.2 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | | | trans | -144.8 | 125.5 | 160.2 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 281 | M | 50.2 | Low | 38.8 | Very low | 153 Ų | 153 | 137.6 Ų | 137.6 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | | | trans | -99.7 | 137.6 | 163.7 | 92.5 | 174.1 | -157.7 | 0 | 0 | 109.2 | | |
| 282 | E | 39 | Very low | 38.1 | Very low | 146 Ų | 146 | 135.5 Ų | 135.5 | 68% | 0.682 | 73% | 0.728 | S | S | * | * | | | | 178.2 | 159.6 | 125.4 | -98.7 | -128.1 | 107.7 | 0 | 0 | 113.5 | | |
| 283 | E | 31.8 | Very low | 37.5 | Very low | 102 Ų | 102 | 130.6 Ų | 130.6 | 48% | 0.477 | 72% | 0.721 | S | S | . | * | | | trans | 48.8 | 117.7 | 151.2 | -67.6 | -173.8 | 140.8 | 0 | 0 | 122.9 | K285 | E283-K285 HydrophobicContact CB-CG 4.43Å; E283-K285 HydrophobicContact CG-CG 4.28Å; E283-K285 WeakPolarHBondContact OE1-CE 3.43Å; E283-K285 WeakPolarHBondContact OE1-CG 3.47Å; E283-K285 IonicContact OE1-NZ 2.67Å; E283-K285 PolarHBondContact OE1-NZ 3.48Å; E283-K285 IonicContact OE2-NZ 2.61Å; E283-K285 PolarHBondContact OE2-NZ 2.68Å |
| 284 | V | 39.9 | Very low | 37.2 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 90% | 0.897 | 72% | 0.723 | S | S | * | * | | | trans | -112.7 | 97.6 | 130.9 | 179.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 285 | K | 34.6 | Very low | 36.7 | Very low | 138 Ų | 138 | 135.2 Ų | 135.2 | 60% | 0.6 | 73% | 0.726 | S | S | * | * | | | trans | -63.6 | 143.4 | 171.2 | -70.3 | -177.5 | 164.2 | 92.8 | 0 | 111.1 | E283 | E283-K285 HydrophobicContact CB-CG 4.43Å; E283-K285 HydrophobicContact CG-CG 4.28Å; E283-K285 WeakPolarHBondContact OE1-CE 3.43Å; E283-K285 WeakPolarHBondContact OE1-CG 3.47Å; E283-K285 IonicContact OE1-NZ 2.67Å; E283-K285 PolarHBondContact OE1-NZ 3.48Å; E283-K285 IonicContact OE2-NZ 2.61Å; E283-K285 PolarHBondContact OE2-NZ 2.68Å |
| 286 | S | 36.7 | Very low | 36.6 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | | | trans | -159 | 114 | 157.4 | -81.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 287 | D | 35 | Very low | 36.3 | Very low | 144 Ų | 144 | 132.7 Ų | 132.7 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | | | trans | -76 | 146.7 | -174.1 | -56.4 | -91.4 | 0 | 0 | 0 | 114.2 | | |
| 288 | S | 34.6 | Very low | 35.9 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 91% | 0.909 | 74% | 0.742 | S | S | * | * | | | trans | -155.7 | 100.7 | 148.4 | -81.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 289 | T | 35.3 | Very low | 35.8 | Very low | 131 Ų | 131 | 131.4 Ų | 131.4 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | | | trans | -79.6 | 142.6 | 169.2 | 54.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 290 | E | 32.6 | Very low | 35.3 | Very low | 160 Ų | 160 | 127.3 Ų | 127.3 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | | | | 169.8 | 129 | 106.3 | -153 | -164 | 94.8 | 0 | 0 | 113 | | |
| 291 | N | 32 | Very low | 35.5 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 67% | 0.674 | 74% | 0.738 | S | S | * | * | | | trans | 57.3 | 177.8 | 159 | 91.3 | 70.7 | 0 | 0 | 0 | 119.5 | | |
| 292 | S | 32.7 | Very low | 35.1 | Very low | 86 Ų | 86 | 128.8 Ų | 128.8 | 60% | 0.601 | 74% | 0.739 | S | S | * | * | | | | -165.3 | 151.1 | -64.7 | -87 | 0 | 0 | 0 | 0 | 111.9 | | |
| 293 | N | 30.3 | Very low | 34.6 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | | | trans | 69.8 | 154.4 | 145.5 | 80.4 | 69.2 | 0 | 0 | 0 | 122.9 | | |
| 294 | S | 34.2 | Very low | 34.8 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | 77.7 | 154.2 | 166.2 | 78.3 | 0 | 0 | 0 | 0 | 119.6 | | |
| 295 | R | 33.7 | Very low | 34.4 | Very low | 219 Ų | 219 | 137.1 Ų | 137.1 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | | | | 179.8 | 145.4 | -64 | 171.5 | 172.1 | -178.6 | -173.5 | -4.8 | 110.6 | | |
| 296 | D | 37.7 | Very low | 34.3 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | 8.2 | 122.5 | 166.1 | -59.5 | -62.9 | 0 | 0 | 0 | 121.8 | | |
| 297 | A | 32.9 | Very low | 34.2 | Very low | 111 Ų | 111 | 140 Ų | 140 | 92% | 0.917 | 77% | 0.765 | S | S | * | * | | | trans | -168.8 | 146.8 | 130.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 298 | G | 30.5 | Very low | 34.2 | Very low | 46 Ų | 46 | 136.7 Ų | 136.7 | 47% | 0.474 | 77% | 0.766 | S | S | . | * | | | cis | 164.8 | 100.5 | -7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 299 | L | 39.7 | Very low | 34.3 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 63% | 0.628 | 76% | 0.763 | S | S | * | * | | | trans | 44.2 | 143.6 | 158.7 | -60.5 | 174.4 | 0 | 0 | 0 | 121.6 | | |
| 300 | G | 31.6 | Very low | 34.4 | Very low | 68 Ų | 68 | 137.9 Ų | 137.9 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | | | trans | 176.2 | 55.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 301 | Q | 40.9 | Very low | 34.5 | Very low | 200 Ų | 200 | 138.7 Ų | 138.7 | 94% | 0.935 | 77% | 0.771 | S | S | * | * | | | trans | -92.3 | 134.9 | 167.6 | -86.9 | -166.3 | -29.9 | 0 | 0 | 112.8 | | |
| 302 | P | 41.9 | Very low | 34.6 | Very low | 120 Ų | 120 | 140 Ų | 140 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | | | trans | -137.1 | 155 | 138.2 | 36.2 | -23.8 | 0 | 0 | 0 | 112.1 | | |
| 303 | R | 28.9 | Very low | 34.7 | Very low | 233 Ų | 233 | 142.9 Ų | 142.9 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | | | cis | -164.7 | 163.5 | -13.3 | -178.4 | 171.8 | 176.2 | 137.7 | -1 | 107.6 | | |
| 304 | R | 34.6 | Very low | 34.7 | Very low | 216 Ų | 216 | 140 Ų | 140 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | | | trans | -66.8 | -175.4 | 167.3 | -52.3 | -179.6 | -169.8 | 147.8 | 1.3 | 111.3 | | |
| 305 | D | 31.8 | Very low | 34.7 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 66% | 0.658 | 77% | 0.772 | S | S | * | * | | | cis | -140.3 | 172.2 | 14.4 | -61.9 | -86.9 | 0 | 0 | 0 | 108.5 | | |
| 306 | S | 33.1 | Very low | 34.5 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | | | cis | -155.7 | -162.4 | 22.5 | -162.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 307 | K | 35 | Very low | 34.4 | Very low | 199 Ų | 199 | 138.6 Ų | 138.6 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | | | trans | -88 | 174 | 177.7 | -58.8 | -179.7 | 174.9 | -172 | 0 | 113.6 | | |
| 308 | G | 34.9 | Very low | 34.5 | Very low | 76 Ų | 76 | 141 Ų | 141 | 78% | 0.784 | 75% | 0.754 | S | S | * | * | | | trans | -165.6 | 49.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 309 | D | 36.7 | Very low | 34.7 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | | | trans | -68.7 | 138 | 161.4 | -79.9 | -62.4 | 0 | 0 | 0 | 110.3 | | |
| 310 | S | 36.2 | Very low | 34.4 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 88% | 0.881 | 77% | 0.767 | S | S | * | * | | | trans | -154 | 128.8 | 169.8 | -70.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 311 | Q | 35 | Very low | 34.4 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | trans | -105.2 | 177 | -173.9 | -161.7 | -177.1 | -85.2 | 0 | 0 | 110.4 | | |
| 312 | E | 34.4 | Very low | 33.8 | Very low | 155 Ų | 155 | 146.4 Ų | 146.4 | 72% | 0.724 | 76% | 0.759 | S | S | * | * | | | trans | 82.9 | 112.1 | 163.6 | -56.4 | -171.1 | 140.6 | 0 | 0 | 118.7 | | |
| 313 | D | 34.8 | Very low | 33.4 | Very low | 145 Ų | 145 | 144.7 Ų | 144.7 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | | | | 44.5 | 116.8 | 124 | -60.3 | 7.5 | 0 | 0 | 0 | 120.7 | | |
| 314 | S | 30.5 | Very low | 33.7 | Very low | 84 Ų | 84 | 142.9 Ų | 142.9 | 59% | 0.587 | 75% | 0.752 | S | S | * | * | | | | 174 | 129.9 | 104.1 | -82.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 315 | K | 33.2 | Very low | 33.6 | Very low | 176 Ų | 176 | 138.7 Ų | 138.7 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | | | trans | 62.1 | 154.2 | 130.6 | -59.2 | 178.6 | -166.6 | 79.7 | 0 | 119.3 | | |
| 316 | E | 30 | Very low | 34 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 67% | 0.673 | 75% | 0.754 | S | S | * | * | | | cis | -177 | 149.4 | -21.8 | -169.9 | -168.5 | 123.6 | 0 | 0 | 106.5 | | |
| 317 | N | 34.9 | Very low | 34 | Very low | 117 Ų | 117 | 140 Ų | 140 | 63% | 0.626 | 75% | 0.748 | S | S | * | * | | | trans | 64.9 | 133.6 | 175 | -52.6 | -56.9 | 0 | 0 | 0 | 116 | | |
| 318 | M | 35.6 | Very low | 34.2 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 79% | 0.788 | 74% | 0.743 | S | S | * | * | | | | -159.7 | 133.7 | 59.9 | -85.4 | -69.4 | 178.8 | 0 | 0 | 112.9 | | |
| 319 | S | 34.1 | Very low | 34.8 | Very low | 87 Ų | 87 | 137.4 Ų | 137.4 | 61% | 0.608 | 74% | 0.741 | S | S | * | * | | | trans | 29.3 | 132.1 | 139.4 | 55.5 | 0 | 0 | 0 | 0 | 121.4 | | |
| 320 | Q | 34.3 | Very low | 34.4 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 78% | 0.78 | 74% | 0.738 | S | S | * | * | | | | 62.6 | 140.5 | 80 | -100.8 | 164 | -75.9 | 0 | 0 | 112.9 | | |
| 321 | E | 31 | Very low | 34.2 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 73% | 0.729 | 73% | 0.732 | S | S | * | * | | | cis | -160.3 | 135.9 | 19.9 | -164.6 | 153.3 | 80.3 | 0 | 0 | 111.1 | | |
| 322 | D | 29.7 | Very low | 34.1 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | | | trans | 46.9 | 158.5 | 133.6 | -157.2 | 38.8 | 0 | 0 | 0 | 125.8 | | |
| 323 | S | 33.8 | Very low | 34 | Very low | 85 Ų | 85 | 133 Ų | 133 | 59% | 0.594 | 74% | 0.738 | S | S | * | * | | | trans | 54.1 | 120.5 | 152.8 | -80.2 | 0 | 0 | 0 | 0 | 121.6 | | |
| 324 | Q | 34.6 | Very low | 34.1 | Very low | 194 Ų | 194 | 131.4 Ų | 131.4 | 91% | 0.907 | 74% | 0.738 | S | S | * | * | | | | 179.5 | 142.2 | 98.2 | -92 | -165.4 | -11 | 0 | 0 | 115.9 | | |
| 325 | N | 31.9 | Very low | 34.4 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 68% | 0.684 | 74% | 0.742 | S | S | * | * | | | trans | -44 | 146.8 | 170.3 | -179.2 | 78.8 | 0 | 0 | 0 | 119.1 | | |
| 326 | V | 39.8 | Very low | 34.6 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 83% | 0.83 | 75% | 0.745 | S | S | * | * | | | trans | -163.9 | 152.1 | 136 | -96 | 0 | 0 | 0 | 0 | 112.4 | | |
| 327 | D | 34.8 | Very low | 34.8 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 69% | 0.69 | 75% | 0.745 | S | S | * | * | | | trans | -84 | 153.4 | -171 | -55 | -107.1 | 0 | 0 | 0 | 116.9 | | |
| 328 | S | 38.8 | Very low | 34.8 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | | | | 14.6 | 160.2 | 128.9 | -50.3 | 0 | 0 | 0 | 0 | 121.2 | | |
| 329 | P | 47.1 | Very low | 35.1 | Very low | 113 Ų | 113 | 131 Ų | 131 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | | | cis | -146.8 | -172 | 21.4 | 44.8 | -25 | 0 | 0 | 0 | 117.8 | | |
| 330 | S | 28.2 | Very low | 35.6 | Very low | 114 Ų | 114 | 133 Ų | 133 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | | | trans | 73.7 | 121.3 | 149.1 | -61.8 | 0 | 0 | 0 | 0 | 120.8 | | |
| 331 | S | 31.9 | Very low | 35.7 | Very low | 108 Ų | 108 | 129.8 Ų | 129.8 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | | -161.6 | 149.9 | 121.1 | -134.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 332 | E | 33.7 | Very low | 36.2 | Very low | 186 Ų | 186 | 131.7 Ų | 131.7 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | | | trans | 64.3 | 100.2 | 161.1 | -42.6 | -77.6 | 82.5 | 0 | 0 | 119 | | |
| 333 | S | 31.5 | Very low | 36.2 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | | | trans | -117.4 | 130.7 | 157.6 | 62 | 0 | 0 | 0 | 0 | 111.2 | | |
| 334 | S | 36.5 | Very low | 36 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | -177.8 | 160.7 | 167.5 | -83.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 335 | Q | 36.3 | Very low | 36 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 67% | 0.673 | 78% | 0.775 | S | S | * | * | | | cis | -157 | 150.8 | 15.1 | -144.1 | 169.8 | -78.8 | 0 | 0 | 110.7 | | |
| 336 | E | 37.6 | Very low | 36.1 | Very low | 174 Ų | 174 | 131.9 Ų | 131.9 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | trans | 48.7 | 158 | 148.4 | -76 | 155.1 | -169.7 | 0 | 0 | 122.1 | | |
| 337 | G | 34.6 | Very low | 35.6 | Very low | 66 Ų | 66 | 133.4 Ų | 133.4 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | | | cis | 150.2 | 141.5 | -6.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 338 | N | 35.5 | Very low | 35.6 | Very low | 149 Ų | 149 | 131.1 Ų | 131.1 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | trans | 69.7 | 115.3 | 165.8 | -75.5 | -7 | 0 | 0 | 0 | 122.2 | | |
| 339 | L | 42.6 | Very low | 35.4 | Very low | 141 Ų | 141 | 134.4 Ų | 134.4 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | | | | 44.5 | 126.3 | 113 | -56.2 | 172.8 | 0 | 0 | 0 | 120.3 | | |
| 340 | P | 44.3 | Very low | 35.1 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 132.7 | 146.1 | 33 | -29.6 | 0 | 0 | 0 | 110.6 | | |
| 341 | S | 36.7 | Very low | 35.1 | Very low | 99 Ų | 99 | 140.3 Ų | 140.3 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 143.8 | 175.8 | -61.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 342 | Q | 40.4 | Very low | 35.4 | Very low | 196 Ų | 196 | 140.7 Ų | 140.7 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 117.5 | 157.9 | -66.2 | -176.4 | -83.3 | 0 | 0 | 109.2 | | |
| 343 | E | 30.3 | Very low | 35.7 | Very low | 174 Ų | 174 | 137.8 Ų | 137.8 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | | | trans | -152.8 | 79.3 | 165.7 | 41.6 | -171.1 | 70.2 | 0 | 0 | 113.3 | | |
| 344 | N | 29.8 | Very low | 35.9 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | -135.8 | 147.5 | 146 | 56.5 | -7 | 0 | 0 | 0 | 109.2 | | |
| 345 | S | 33.2 | Very low | 36 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | | | trans | -155.2 | 153.3 | -173.3 | -73.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 346 | S | 34.4 | Very low | 36.3 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | trans | 70.1 | 158.3 | 171.8 | -58.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 347 | E | 29.7 | Very low | 36.8 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | cis | -169 | 148 | -32.8 | -92.8 | -140.5 | 82.1 | 0 | 0 | 106.3 | | |
| 348 | S | 35 | Very low | 37.1 | Very low | 82 Ų | 82 | 137.8 Ų | 137.8 | 57% | 0.573 | 76% | 0.759 | S | S | * | * | | | cis | -170.3 | 152.4 | -11.4 | -101.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 349 | Q | 34.3 | Very low | 37.2 | Very low | 178 Ų | 178 | 138.5 Ų | 138.5 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | trans | 67.6 | 100.1 | 141.3 | -171.9 | -170.9 | -3.3 | 0 | 0 | 120.7 | | |
| 350 | E | 39.8 | Very low | 36.7 | Very low | 191 Ų | 191 | 139.1 Ų | 139.1 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | | | trans | -162.3 | 169.2 | 143.4 | 56.1 | -158.8 | 124.2 | 0 | 0 | 109.1 | | |
| 351 | E | 30 | Very low | 37.2 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | | -170.8 | 159.5 | -59.2 | 173.2 | 164.3 | 141.3 | 0 | 0 | 104.6 | | |
| 352 | V | 37.8 | Very low | 37.3 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 70% | 0.703 | 76% | 0.758 | S | S | * | * | | | trans | 54.6 | 117.5 | 171.8 | -75.1 | 0 | 0 | 0 | 0 | 121.9 | | |
| 353 | V | 40.3 | Very low | 37.2 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 76% | 0.758 | 75% | 0.749 | S | S | * | * | | | trans | 66.2 | 109.4 | 132.3 | -176.2 | 0 | 0 | 0 | 0 | 119 | E355 | V353-E355 PolarHBondContact O-N 2.93Š|
| 354 | S | 35.9 | Very low | 37.3 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | | | trans | -55.4 | 118 | 158.7 | 52 | 0 | 0 | 0 | 0 | 114 | S356 | S354-S356 PolarHBondContact O-N 3.49Š|
| 355 | E | 37.6 | Very low | 37.8 | Very low | 139 Ų | 139 | 131.8 Ų | 131.8 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | | | trans | -82.5 | 95.6 | 157.8 | -76.5 | -158.6 | 106 | 0 | 0 | 110.4 | V353 R357 | V353-E355 PolarHBondContact O-N 2.93Å; E355-R357 VanDerWaalsContact CD-NH2 3.27Å; E355-R357 PolarHBondContact O-N 2.83Å; E355-R357 IonicContact OE1-CZ 2.93Å; E355-R357 IonicContact OE1-NH1 2.83Å; E355-R357 IonicContact OE1-NH2 2.68Å; E355-R357 PolarHBondContact OE1-NH2 2.95Å; E355-R357 IonicContact OE2-CZ 3.51Å; E355-R357 IonicContact OE2-NH1 3.45Å; E355-R357 PolarHBondContact OE2-NH1 3.14Å; E355-R357 IonicContact OE2-NH2 3.78Å; E355-R357 PolarHBondContact OE2-NH2 2.8Å; E355-R357 VanDerWaalsContact OE2-NH2 3.16Å |
| 356 | S | 42.6 | Very low | 37.9 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | | | trans | -75.7 | 85.5 | 174.4 | -175.1 | 0 | 0 | 0 | 0 | 110.9 | S354 G358 | S354-S356 PolarHBondContact O-N 3.49Å; S356-G358 PolarHBondContact O-N 3.04Å |
| 357 | R | 49.1 | Very low | 37.8 | Very low | 198 Ų | 198 | 134.3 Ų | 134.3 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | | | trans | -84.4 | 82.9 | 171.6 | -73.5 | -168.1 | 175.1 | 76.4 | 15.3 | 111.2 | E355 | E355-R357 VanDerWaalsContact CD-NH2 3.27Å; E355-R357 PolarHBondContact O-N 2.83Å; E355-R357 IonicContact OE1-CZ 2.93Å; E355-R357 IonicContact OE1-NH1 2.83Å; E355-R357 IonicContact OE1-NH2 2.68Å; E355-R357 PolarHBondContact OE1-NH2 2.95Å; E355-R357 IonicContact OE2-CZ 3.51Å; E355-R357 IonicContact OE2-NH1 3.45Å; E355-R357 PolarHBondContact OE2-NH1 3.14Å; E355-R357 IonicContact OE2-NH2 3.78Å; E355-R357 PolarHBondContact OE2-NH2 2.8Å; E355-R357 VanDerWaalsContact OE2-NH2 3.16Å |
| 358 | G | 40.7 | Very low | 38.2 | Very low | 54 Ų | 54 | 131.3 Ų | 131.3 | 56% | 0.557 | 74% | 0.738 | S | S | * | * | | | trans | -166.1 | 142.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S356 | S356-G358 PolarHBondContact O-N 3.04Š|
| 359 | D | 37.1 | Very low | 38.2 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | | | trans | 48.7 | 97 | 171.9 | -61.2 | -17.1 | 0 | 0 | 0 | 118.8 | | |
| 360 | N | 32.6 | Very low | 38.2 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | | | trans | -99.3 | 111.1 | 152.3 | 179.5 | 47.1 | 0 | 0 | 0 | 109.5 | | |
| 361 | P | 54.8 | Low | 37.9 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | | | trans | -78.6 | 146.2 | -179.3 | 31.2 | -34.7 | 0 | 0 | 0 | 113.1 | P363 | P361-P363 WeakPolarHBondContact O-CD 3.32Š|
| 362 | D | 37.9 | Very low | 38.1 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 69% | 0.69 | 73% | 0.733 | S | S | * | * | | | trans | -58.5 | 122.5 | 176.7 | 176.2 | 0.7 | 0 | 0 | 0 | 112.7 | T364 | D362-T364 PolarHBondContact OD1-N 3.36Å; D362-T364 PolarHBondContact OD1-OG1 2.76Å |
| 363 | P | 39.1 | Very low | 38 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 71% | 0.714 | 74% | 0.739 | S | S | * | * | | | trans | -113.3 | 40.2 | -179 | 40.7 | -29.7 | 0 | 0 | 0 | 114.6 | P361 T365 | P361-P363 WeakPolarHBondContact O-CD 3.32Å; P363-T365 PolarHBondContact O-N 3.22Å |
| 364 | T | 31.3 | Very low | 37.7 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | | | trans | -94.2 | 56.3 | -178.3 | 53.6 | 0 | 0 | 0 | 0 | 116.3 | D362 | D362-T364 PolarHBondContact OD1-N 3.36Å; D362-T364 PolarHBondContact OD1-OG1 2.76Å |
| 365 | T | 40.5 | Very low | 38.1 | Very low | 134 Ų | 134 | 136 Ų | 136 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | | | trans | -143.4 | 73.1 | 166.6 | 171.7 | 0 | 0 | 0 | 0 | 114.6 | P363 | P363-T365 PolarHBondContact O-N 3.22Š|
| 366 | S | 35.6 | Very low | 37.8 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | -162.4 | 137.2 | 148.2 | 52.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 367 | H | 31.7 | Very low | 37.5 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 75% | 0.75 | 76% | 0.758 | S | S | * | * | | | trans | 69.8 | 90.1 | 145 | -152.6 | -65.7 | 0 | 0 | 0 | 123 | | |
| 368 | V | 38 | Very low | 37 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 63% | 0.63 | 76% | 0.763 | S | S | * | * | | | trans | 12.3 | 147.5 | 133.3 | -108.9 | 0 | 0 | 0 | 0 | 123 | | |
| 369 | E | 36.3 | Very low | 36.8 | Very low | 170 Ų | 170 | 140.5 Ų | 140.5 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | | | trans | 71.5 | 136.1 | 153.9 | -72.9 | 171.6 | -168.1 | 0 | 0 | 117.3 | | |
| 370 | D | 34.1 | Very low | 36.6 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 66% | 0.663 | 78% | 0.776 | S | S | * | * | | | cis | -163.4 | 172.1 | -9.3 | -154.9 | -19.6 | 0 | 0 | 0 | 108.9 | | |
| 371 | Q | 33.1 | Very low | 36.6 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 70% | 0.696 | 76% | 0.764 | S | S | * | * | | | trans | 23.9 | 144.3 | 157.7 | -84.6 | 150.9 | 95.1 | 0 | 0 | 121.5 | | |
| 372 | E | 33.3 | Very low | 35.9 | Very low | 166 Ų | 166 | 135.9 Ų | 135.9 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | cis | -169.1 | 158.8 | 18.3 | 46 | -166.9 | 53.7 | 0 | 0 | 112.1 | | |
| 373 | D | 37.3 | Very low | 35.8 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | | | trans | 8.3 | 123.5 | 167 | -55.9 | -14 | 0 | 0 | 0 | 122.7 | | |
| 374 | S | 33.7 | Very low | 35.6 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | | | trans | -171.2 | 128.2 | 134.8 | -81.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 375 | D | 44 | Very low | 35.9 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | | | trans | -75.4 | 136 | 173.9 | -57.3 | -82.7 | 0 | 0 | 0 | 113.3 | | |
| 376 | S | 31.4 | Very low | 35.4 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | | | trans | -166.5 | 152.7 | 143.1 | -81 | 0 | 0 | 0 | 0 | 111.5 | | |
| 377 | S | 37 | Very low | 35.4 | Very low | 101 Ų | 101 | 144.3 Ų | 144.3 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | -56.4 | 157.5 | 168.6 | 49.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 378 | E | 37 | Very low | 35.4 | Very low | 183 Ų | 183 | 142 Ų | 142 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | | | | -142.5 | -163.8 | 51.2 | -77.2 | 167.9 | 139.6 | 0 | 0 | 114.6 | | |
| 379 | E | 36.6 | Very low | 35.5 | Very low | 192 Ų | 192 | 146.2 Ų | 146.2 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | | | trans | -72.4 | 150.7 | -164.2 | -50.4 | 170.5 | 109 | 0 | 0 | 114.2 | | |
| 380 | D | 34.4 | Very low | 35.3 | Very low | 150 Ų | 150 | 143.5 Ų | 143.5 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | | | | 179.3 | 162.2 | 126.9 | -163.8 | 30.5 | 0 | 0 | 0 | 114.7 | | |
| 381 | S | 32.5 | Very low | 35.5 | Very low | 82 Ų | 82 | 145.7 Ų | 145.7 | 57% | 0.573 | 80% | 0.802 | S | S | * | * | | | trans | 41.7 | 93 | 151 | -69.7 | 0 | 0 | 0 | 0 | 122.4 | | |
| 382 | S | 40.1 | Very low | 35.5 | Very low | 88 Ų | 88 | 144.5 Ų | 144.5 | 62% | 0.615 | 81% | 0.81 | S | S | * | * | | | | 44.2 | 152.8 | 115.1 | 63.3 | 0 | 0 | 0 | 0 | 124.7 | | |
| 383 | H | 35.8 | Very low | 35.6 | Very low | 168 Ų | 168 | 146.9 Ų | 146.9 | 78% | 0.778 | 81% | 0.812 | S | S | * | * | | | trans | 78.1 | 105.1 | 163.6 | -47.4 | -69.9 | 0 | 0 | 0 | 120 | | |
| 384 | T | 34.4 | Very low | 35.7 | Very low | 143 Ų | 143 | 147.8 Ų | 147.8 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | | | | -165.9 | 161.3 | 117.5 | 15.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 385 | L | 37.7 | Very low | 35.9 | Very low | 163 Ų | 163 | 150.1 Ų | 150.1 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | | | trans | -73.1 | 141.2 | -166.3 | -60.6 | 81.3 | 0 | 0 | 0 | 114 | | |
| 386 | S | 29.6 | Very low | 35.8 | Very low | 111 Ų | 111 | 150.4 Ų | 150.4 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | | | trans | -173 | 88.3 | 135.1 | -83.9 | 0 | 0 | 0 | 0 | 112.6 | S388 | S386-S388 PolarHBondContact O-N 3.33Š|
| 387 | H | 35.2 | Very low | 36.2 | Very low | 203 Ų | 203 | 149.4 Ų | 149.4 | 94% | 0.94 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 122.1 | 162.3 | -84 | -90.2 | 0 | 0 | 0 | 109.7 | | |
| 388 | S | 31.1 | Very low | 36.4 | Very low | 115 Ų | 115 | 151.2 Ų | 151.2 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 157.2 | 177.3 | -70.4 | 0 | 0 | 0 | 0 | 112 | S386 | S386-S388 PolarHBondContact O-N 3.33Š|
| 389 | K | 39.9 | Very low | 36.4 | Very low | 191 Ų | 191 | 146.7 Ų | 146.7 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 138.2 | 178.3 | -62.9 | -178.6 | 174.8 | -171.6 | 0 | 113.2 | | |
| 390 | S | 34.1 | Very low | 36.4 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | | | trans | -156.1 | 121.4 | 146.7 | -68.2 | 0 | 0 | 0 | 0 | 104.6 | | |
| 391 | E | 37.8 | Very low | 36.2 | Very low | 169 Ų | 169 | 143.1 Ų | 143.1 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | cis | 64.9 | 127.3 | 44.5 | -61.2 | -162.8 | 141.5 | 0 | 0 | 114.4 | | |
| 392 | S | 32.1 | Very low | 36.5 | Very low | 125 Ų | 125 | 144.2 Ų | 144.2 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | | | trans | 85.7 | 137.8 | -172.6 | -44 | 0 | 0 | 0 | 0 | 115.1 | | |
| 393 | R | 36.6 | Very low | 36.2 | Very low | 215 Ų | 215 | 147.4 Ų | 147.4 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | cis | -163.1 | 152.7 | -13.1 | 165.2 | 170.8 | 164.4 | 171.5 | -7.6 | 109.7 | | |
| 394 | E | 38.3 | Very low | 36.3 | Very low | 177 Ų | 177 | 144.6 Ų | 144.6 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | | | trans | -65.2 | 140 | 178.1 | -53.2 | 151.5 | 131.4 | 0 | 0 | 113.6 | | |
| 395 | E | 38.4 | Very low | 36.4 | Very low | 178 Ų | 178 | 144.8 Ų | 144.8 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | -154.1 | 152.9 | 143.4 | -119.7 | 152.8 | -137.4 | 0 | 0 | 109.7 | | |
| 396 | Q | 42 | Very low | 36.6 | Very low | 169 Ų | 169 | 142.2 Ų | 142.2 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | -79.2 | 147.3 | -149.4 | -64.1 | 175.6 | -112.4 | 0 | 0 | 116.8 | D398 | Q396-D398 PolarHBondContact NE2-OD2 3.35Å; Q396-D398 VanDerWaalsContact NE2-OD2 3.14Å |
| 397 | A | 39.3 | Very low | 36.9 | Very low | 100 Ų | 100 | 146.3 Ų | 146.3 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | | | trans | -143.6 | 125.8 | 143 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 398 | D | 40.7 | Very low | 37 | Very low | 140 Ų | 140 | 142.8 Ų | 142.8 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | | | trans | -102.1 | 113.7 | 177.7 | -63.9 | -77.6 | 0 | 0 | 0 | 108.9 | Q396 | Q396-D398 PolarHBondContact NE2-OD2 3.35Å; Q396-D398 VanDerWaalsContact NE2-OD2 3.14Å |
| 399 | S | 37.7 | Very low | 37.5 | Very low | 87 Ų | 87 | 146.2 Ų | 146.2 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | | | trans | -137.5 | 111.4 | 167.8 | -84.8 | 0 | 0 | 0 | 0 | 109.4 | S401 | S399-S401 PolarHBondContact O-N 3Š|
| 400 | E | 36.9 | Very low | 37.1 | Very low | 191 Ų | 191 | 145.3 Ų | 145.3 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | | | trans | -94.7 | 74.9 | -179.6 | 55.1 | -164.4 | 116.9 | 0 | 0 | 111.2 | S402 | E400-S402 PolarHBondContact O-N 3.26Š|
| 401 | S | 30.7 | Very low | 37.1 | Very low | 77 Ų | 77 | 144 Ų | 144 | 54% | 0.538 | 78% | 0.778 | S | S | . | * | | | trans | -68.8 | 117.4 | 171.8 | -172.9 | 0 | 0 | 0 | 0 | 110.4 | D192 S399 | D192-S401 PolarHBondContact OD2-OG 3.12Å; S399-S401 PolarHBondContact O-N 3Å |
| 402 | S | 37.6 | Very low | 37.9 | Very low | 104 Ų | 104 | 141.4 Ų | 141.4 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | -151.6 | 70.7 | 168.6 | 71.5 | 0 | 0 | 0 | 0 | 110.9 | E400 | E400-S402 PolarHBondContact O-N 3.26Š|
| 403 | E | 35 | Very low | 37.9 | Very low | 156 Ų | 156 | 144.2 Ų | 144.2 | 73% | 0.729 | 78% | 0.775 | S | S | * | * | | | trans | -81.4 | 137.2 | 156.5 | 76.3 | 161.3 | -148.9 | 0 | 0 | 110.8 | | |
| 404 | S | 37 | Very low | 37.8 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | trans | -169.6 | 153.6 | -179.2 | -79 | 0 | 0 | 0 | 0 | 109.3 | | |
| 405 | L | 37.7 | Very low | 38.6 | Very low | 148 Ų | 148 | 136 Ų | 136 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | | | trans | 74.2 | 82.2 | 172.1 | -46.7 | -175.3 | 0 | 0 | 0 | 115.7 | F407 | L405-F407 PolarHBondContact O-N 3.31Š|
| 406 | S | 41.5 | Very low | 38.7 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | trans | -36 | 126.5 | 136.8 | 53.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 407 | F | 34.8 | Very low | 38.6 | Very low | 197 Ų | 197 | 136.6 Ų | 136.6 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | | | trans | -168.2 | 121.6 | 150.1 | -89.3 | -60.9 | 0 | 0 | 0 | 109.9 | L405 | L405-F407 PolarHBondContact O-N 3.31Š|
| 408 | S | 38 | Very low | 38.6 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | | | trans | -163.3 | 97.8 | 156.2 | -162.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 409 | E | 40.4 | Very low | 38.3 | Very low | 187 Ų | 187 | 141.8 Ų | 141.8 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | -141.5 | 149.6 | 170.3 | -164.3 | 179.8 | 131.3 | 0 | 0 | 107.8 | | |
| 410 | E | 33.2 | Very low | 38.1 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | | | trans | 62 | 153.4 | -170.3 | -90.9 | -159.8 | 61.7 | 0 | 0 | 116 | | |
| 411 | S | 33.4 | Very low | 38.5 | Very low | 86 Ų | 86 | 139.5 Ų | 139.5 | 60% | 0.601 | 79% | 0.788 | S | S | * | * | | | cis | -151.8 | 164.8 | -0.6 | -134.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 412 | P | 55.3 | Low | 38.9 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | | | trans | -95.2 | -165.5 | 178.9 | 39.2 | -34.6 | 0 | 0 | 0 | 114.1 | | |
| 413 | E | 31.8 | Very low | 38.9 | Very low | 183 Ų | 183 | 142.8 Ų | 142.8 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | | | trans | 85.3 | 143.9 | -169.1 | -56.7 | -162.1 | 83.6 | 0 | 0 | 114.4 | | |
| 414 | S | 34.3 | Very low | 38.9 | Very low | 96 Ų | 96 | 143.5 Ų | 143.5 | 67% | 0.671 | 80% | 0.798 | S | S | * | * | | | cis | -135.9 | 161.9 | 8.2 | -56.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 415 | P | 54.3 | Low | 38.8 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | | | trans | -99.4 | 119.9 | 171.8 | 35.1 | -28.1 | 0 | 0 | 0 | 113.1 | | |
| 416 | E | 40.3 | Very low | 38.7 | Very low | 184 Ų | 184 | 143.1 Ų | 143.1 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | trans | -139 | 103.4 | 171.8 | -68 | -170.6 | 133.5 | 0 | 0 | 111.5 | | |
| 417 | D | 40.9 | Very low | 38.3 | Very low | 174 Ų | 174 | 146.7 Ų | 146.7 | 93% | 0.93 | 81% | 0.811 | S | S | * | * | | | trans | -155.8 | 120.7 | 149.8 | -132 | -25.3 | 0 | 0 | 0 | 109.4 | | |
| 418 | E | 38.3 | Very low | 38.4 | Very low | 190 Ų | 190 | 141.6 Ų | 141.6 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | | | trans | -102.9 | 112.7 | -158.9 | -64.5 | -177.9 | 100.6 | 0 | 0 | 113.7 | | |
| 419 | N | 34.5 | Very low | 38.2 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | | | trans | -140.1 | 72.8 | 158.9 | -169.7 | 2.4 | 0 | 0 | 0 | 111.3 | | |
| 420 | S | 34.5 | Very low | 38 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | -82.6 | 137.5 | 175 | -77.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 421 | S | 44.3 | Very low | 38.1 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | | | trans | -57.2 | 145.4 | 175 | -178.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 422 | S | 39 | Very low | 38.1 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | | | trans | -149 | 105.7 | 171.1 | -78.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 423 | Q | 37.6 | Very low | 37 | Very low | 151 Ų | 151 | 139.8 Ų | 139.8 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | | | | 57 | 124.2 | 129.1 | -68.6 | -172.2 | -101 | 0 | 0 | 122.6 | | |
| 424 | E | 35.1 | Very low | 37.1 | Very low | 170 Ų | 170 | 139 Ų | 139 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | | | trans | 44.3 | 128.9 | 142.1 | 72.1 | -146.4 | 53.5 | 0 | 0 | 123.4 | | |
| 425 | G | 35.8 | Very low | 37.1 | Very low | 80 Ų | 80 | 138.2 Ų | 138.2 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | trans | -176.7 | 57.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 426 | L | 36 | Very low | 36 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | | | trans | 7.8 | 121 | 160.9 | -56.4 | 173.5 | 0 | 0 | 0 | 120.1 | | |
| 427 | Q | 33.3 | Very low | 35.7 | Very low | 185 Ų | 185 | 136 Ų | 136 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | | | | 178.2 | 124.8 | 119.1 | -104.3 | 178.9 | -139.2 | 0 | 0 | 115.3 | | |
| 428 | S | 36.4 | Very low | 35.6 | Very low | 90 Ų | 90 | 135.9 Ų | 135.9 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | | | trans | 60.6 | 144.1 | 147.4 | -46.7 | 0 | 0 | 0 | 0 | 119.7 | | |
| 429 | H | 34.4 | Very low | 35.4 | Very low | 186 Ų | 186 | 134.7 Ų | 134.7 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | | | cis | -138 | 165.7 | 18.6 | -72.3 | -96.3 | 0 | 0 | 0 | 113.3 | | |
| 430 | S | 35.9 | Very low | 35.6 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | trans | -84.4 | 172.9 | 174.1 | 48.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 431 | T | 33.9 | Very low | 35.6 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | | | cis | -158.8 | 166.9 | 45.5 | 48.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 432 | S | 33.9 | Very low | 35.3 | Very low | 125 Ų | 125 | 133 Ų | 133 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | | | trans | -94.3 | 158.5 | -175.2 | -31 | 0 | 0 | 0 | 0 | 115.7 | | |
| 433 | A | 33.1 | Very low | 35.4 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 84% | 0.835 | 76% | 0.758 | S | S | * | * | | | trans | -151.3 | -175.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 434 | E | 33.2 | Very low | 35.7 | Very low | 166 Ų | 166 | 136.9 Ų | 136.9 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | | | trans | -156.5 | 161.1 | -139.6 | -99.4 | -79.2 | 11.9 | 0 | 0 | 117.5 | | |
| 435 | S | 34.8 | Very low | 36 | Very low | 80 Ų | 80 | 136.1 Ų | 136.1 | 56% | 0.559 | 77% | 0.767 | S | S | * | * | | | trans | 68.1 | 131.5 | 143.7 | -68.5 | 0 | 0 | 0 | 0 | 125.3 | | |
| 436 | Q | 31.8 | Very low | 36.5 | Very low | 181 Ų | 181 | 138.7 Ų | 138.7 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | | | trans | 70.1 | 160.2 | 136.7 | -71.8 | 172.1 | -13 | 0 | 0 | 121 | | |
| 437 | S | 33.7 | Very low | 36.8 | Very low | 82 Ų | 82 | 135 Ų | 135 | 57% | 0.573 | 75% | 0.751 | S | S | * | * | | | cis | 179.5 | 148.7 | -31.5 | -107 | 0 | 0 | 0 | 0 | 112 | | |
| 438 | E | 37.7 | Very low | 37.3 | Very low | 170 Ų | 170 | 133.5 Ų | 133.5 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | | | trans | 54.7 | 159.4 | 158.8 | -72.7 | 80.6 | -81.2 | 0 | 0 | 122.6 | | |
| 439 | E | 34.1 | Very low | 37.9 | Very low | 165 Ų | 165 | 133.5 Ų | 133.5 | 77% | 0.771 | 75% | 0.748 | S | S | * | * | | | cis | -171.7 | 179.5 | -32.8 | -149.4 | -127.7 | 84.1 | 0 | 0 | 112.7 | | |
| 440 | S | 38.3 | Very low | 38.4 | Very low | 81 Ų | 81 | 133.6 Ų | 133.6 | 57% | 0.566 | 75% | 0.749 | S | S | * | * | | | trans | 81.6 | 129.4 | 155.5 | -89.9 | 0 | 0 | 0 | 0 | 127.8 | | |
| 441 | Q | 35.2 | Very low | 39 | Very low | 167 Ų | 167 | 134.1 Ų | 134.1 | 78% | 0.78 | 74% | 0.744 | S | S | * | * | | | trans | 64.5 | 136.1 | 144.7 | -55.4 | -173.3 | -100.7 | 0 | 0 | 125 | | |
| 442 | S | 37.3 | Very low | 39.5 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | | | trans | 178.3 | 131.3 | 167.4 | 60.8 | 0 | 0 | 0 | 0 | 116.1 | | |
| 443 | E | 41.2 | Very low | 40.1 | Very low | 148 Ų | 148 | 128.5 Ų | 128.5 | 69% | 0.692 | 71% | 0.71 | S | S | * | * | | | trans | -151.9 | 159.6 | -168.7 | -54.6 | 79.2 | -152 | 0 | 0 | 119.5 | | |
| 444 | E | 45.5 | Very low | 40.4 | Very low | 185 Ų | 185 | 135.7 Ų | 135.7 | 86% | 0.864 | 72% | 0.715 | S | S | * | * | | | trans | 85.9 | 153.4 | 153.9 | -41.2 | -158.4 | 130.2 | 0 | 0 | 127.3 | | |
| 445 | D | 41.2 | Very low | 40.8 | Very low | 153 Ų | 153 | 133.4 Ų | 133.4 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | | | trans | 63.9 | 159.2 | 160.2 | -75.8 | 4.5 | 0 | 0 | 0 | 126.9 | | |
| 446 | D | 45.4 | Very low | 41.1 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | | | cis | -173.6 | 162.8 | -36.6 | -168.3 | 30.2 | 0 | 0 | 0 | 115.9 | | |
| 447 | S | 41.9 | Very low | 41.6 | Very low | 91 Ų | 91 | 136.9 Ų | 136.9 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | | | trans | 77.3 | 114.1 | 145.3 | -86.6 | 0 | 0 | 0 | 0 | 129.9 | | |
| 448 | D | 45.5 | Very low | 41.7 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | | | | 89.4 | 173 | 121.6 | -129.8 | -13.5 | 0 | 0 | 0 | 127.8 | | |
| 449 | S | 48.3 | Very low | 41.8 | Very low | 90 Ų | 90 | 136.9 Ų | 136.9 | 63% | 0.629 | 73% | 0.729 | S | S | * | * | | | trans | -137 | 176.8 | -136.7 | -38.8 | 0 | 0 | 0 | 0 | 119.6 | | |
| 450 | Q | 44.7 | Very low | 42.1 | Very low | 188 Ų | 188 | 136.3 Ų | 136.3 | 88% | 0.879 | 73% | 0.731 | S | S | * | * | | | trans | -149.9 | 170 | 176.9 | -68.5 | -66.4 | -86.9 | 0 | 0 | 115.2 | | |
| 451 | D | 48.3 | Very low | 41.9 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 63% | 0.631 | 74% | 0.741 | S | S | * | * | | | trans | -159.7 | 165.4 | -177.2 | -178.4 | 47.8 | 0 | 0 | 0 | 117.7 | | |
| 452 | S | 44.7 | Very low | 42.1 | Very low | 68 Ų | 68 | 136.5 Ų | 136.5 | 48% | 0.476 | 75% | 0.745 | S | S | . | * | | | trans | 76.6 | 158 | 153.5 | -89.9 | 0 | 0 | 0 | 0 | 123 | | |
| 453 | S | 47.2 | Very low | 42.1 | Very low | 71 Ų | 71 | 140.3 Ų | 140.3 | 50% | 0.497 | 75% | 0.751 | S | S | . | * | | | cis | -180 | 160.3 | -21.5 | -97.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 454 | R | 37.9 | Very low | 41.9 | Very low | 251 Ų | 251 | 139.3 Ų | 139.3 | 95% | 0.947 | 76% | 0.761 | S | S | * | * | | | trans | 105.7 | 156.5 | 153.8 | -62.8 | -157.6 | 166.6 | 104.7 | 4 | 121.8 | | |
| 455 | S | 41.9 | Very low | 41.3 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | | | trans | -132.9 | 172.9 | -162.1 | 57.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 456 | K | 41.5 | Very low | 40.8 | Very low | 184 Ų | 184 | 136.8 Ų | 136.8 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | | | trans | -150.7 | 151.8 | 160.5 | -120.2 | -62.5 | -170.6 | 167.8 | 0 | 112.2 | | |
| 457 | E | 41.8 | Very low | 40.2 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | | | trans | -129.1 | 143.5 | -173.8 | 170.8 | -160 | 126.5 | 0 | 0 | 108.9 | | |
| 458 | D | 36.2 | Very low | 40 | Very low | 152 Ų | 152 | 135 Ų | 135 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | | | trans | -156.1 | 145.2 | 154.8 | -89.9 | -55.6 | 0 | 0 | 0 | 109.1 | | |
| 459 | S | 38.9 | Very low | 39.5 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | trans | -122.2 | 150.4 | -167 | -64.9 | 0 | 0 | 0 | 0 | 114 | | |
| 460 | N | 40.8 | Very low | 39.2 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -144.8 | 88 | 164.1 | 66 | -40.6 | 0 | 0 | 0 | 113.6 | | |
| 461 | S | 33.6 | Very low | 39.2 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | -68.7 | 136.6 | 170.5 | -49.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 462 | T | 40.9 | Very low | 38.8 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 87% | 0.865 | 77% | 0.772 | S | S | * | * | | | trans | -128.1 | 115.7 | 156.6 | 50.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 463 | E | 35.8 | Very low | 38.6 | Very low | 185 Ų | 185 | 143.2 Ų | 143.2 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | | | trans | -76.6 | 142 | -165.3 | -55.6 | 164 | 139.6 | 0 | 0 | 111.7 | | |
| 464 | S | 37.9 | Very low | 38.3 | Very low | 128 Ų | 128 | 145.5 Ų | 145.5 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | | | trans | -158.7 | 136.7 | 157.9 | -76.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 465 | E | 33.6 | Very low | 38.5 | Very low | 188 Ų | 188 | 141 Ų | 141 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | | | trans | -82.6 | 161 | 178.4 | -65 | 166.2 | 121.1 | 0 | 0 | 110.6 | | |
| 466 | S | 30.7 | Very low | 38.8 | Very low | 96 Ų | 96 | 143.8 Ų | 143.8 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | | | cis | -168.7 | 161 | -9.7 | -103.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 467 | S | 33 | Very low | 39 | Very low | 102 Ų | 102 | 141.4 Ų | 141.4 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | | | trans | 53.2 | 139.3 | 148 | 62.1 | 0 | 0 | 0 | 0 | 123.4 | | |
| 468 | S | 37 | Very low | 39.3 | Very low | 86 Ų | 86 | 144 Ų | 144 | 60% | 0.601 | 79% | 0.794 | S | S | * | * | | | trans | 58.9 | 108 | 145.3 | 61 | 0 | 0 | 0 | 0 | 119.8 | | |
| 469 | E | 34.5 | Very low | 40.2 | Very low | 208 Ų | 208 | 142.8 Ų | 142.8 | 97% | 0.972 | 79% | 0.786 | S | S | * | * | | | trans | -119.4 | 120.8 | 136.8 | -76.7 | -176 | 103.4 | 0 | 0 | 108.3 | | |
| 470 | E | 41.7 | Very low | 40.5 | Very low | 169 Ų | 169 | 143.7 Ų | 143.7 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | trans | -118.2 | 171 | 177.9 | 59 | -162.9 | 77.3 | 0 | 0 | 109.5 | G472 | E470-G472 PolarHBondContact O-N 2.83Š|
| 471 | D | 45.7 | Very low | 41 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | | | trans | -52.3 | 129.8 | -170.7 | -175.5 | 24.6 | 0 | 0 | 0 | 113.5 | | |
| 472 | G | 38.5 | Very low | 42 | Very low | 65 Ų | 65 | 146.5 Ų | 146.5 | 67% | 0.67 | 78% | 0.781 | S | S | * | * | | | trans | -162.4 | 63.3 | -154.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | E470 | E470-G472 PolarHBondContact O-N 2.83Š|
| 473 | Q | 42.4 | Very low | 42.9 | Very low | 176 Ų | 176 | 148.8 Ų | 148.8 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | -50.1 | 142.1 | 170.1 | -172.3 | -176.1 | 73 | 0 | 0 | 112.8 | | |
| 474 | L | 40.3 | Very low | 43.7 | Very low | 118 Ų | 118 | 147.8 Ų | 147.8 | 62% | 0.618 | 78% | 0.779 | S | S | * | * | | | trans | 164.1 | 137.9 | 131.6 | -87.4 | 179.3 | 0 | 0 | 0 | 115.3 | | |
| 475 | K | 41.6 | Very low | 44.5 | Very low | 157 Ų | 157 | 147.6 Ų | 147.6 | 68% | 0.683 | 77% | 0.773 | S | S | * | * | | | trans | 49.1 | 111.1 | 145.4 | -65.9 | 155.9 | -176.4 | 146.9 | 0 | 119.7 | | |
| 476 | N | 48.8 | Very low | 45.6 | Very low | 177 Ų | 177 | 144.8 Ų | 144.8 | 95% | 0.947 | 77% | 0.768 | S | S | * | * | | | | -124.1 | 151.6 | 126.2 | -92.8 | -61.3 | 0 | 0 | 0 | 109.3 | | |
| 477 | I | 45.3 | Very low | 46.7 | Very low | 134 Ų | 134 | 146 Ų | 146 | 69% | 0.687 | 77% | 0.767 | S | S | * | * | | | trans | -134.6 | 113 | -169.9 | -139.9 | 166.4 | 0 | 0 | 0 | 108.1 | I479 | I477-I479 HydrophobicContact CD1-CD1 4.06Å; I477-I479 HydrophobicContact CG1-CD1 3.97Å; I477-I479 HydrophobicContact CG1-CG1 4.17Å; I477-I479 HydrophobicContact CG2-CD1 3.92Å; I477-I479 HydrophobicContact CG2-CG1 4.19Å |
| 478 | E | 48.7 | Very low | 47.8 | Very low | 205 Ų | 205 | 145.9 Ų | 145.9 | 96% | 0.958 | 77% | 0.772 | S | S | * | * | | | trans | -99 | 101.4 | 177.6 | -168.6 | 161.3 | -167.8 | 0 | 0 | 109 | | |
| 479 | I | 53.6 | Low | 48.5 | Very low | 125 Ų | 125 | 150.3 Ų | 150.3 | 64% | 0.641 | 78% | 0.777 | S | S | * | * | | | trans | -122.4 | 144.6 | -178 | -55.8 | 175.9 | 0 | 0 | 0 | 107.5 | I477 | I477-I479 HydrophobicContact CD1-CD1 4.06Å; I477-I479 HydrophobicContact CG1-CD1 3.97Å; I477-I479 HydrophobicContact CG1-CG1 4.17Å; I477-I479 HydrophobicContact CG2-CD1 3.92Å; I477-I479 HydrophobicContact CG2-CG1 4.19Å |
| 480 | E | 45.8 | Very low | 49.5 | Very low | 121 Ų | 121 | 147.2 Ų | 147.2 | 57% | 0.565 | 76% | 0.762 | S | S | * | * | | | trans | 78.7 | 89.9 | 178.4 | -50.3 | -154.3 | 130.5 | 0 | 0 | 117.9 | R482 | E480-R482 HydrophobicContact CB-CG 4.23Å; E480-R482 HydrophobicContact CG-CG 4.38Å; E480-R482 VanDerWaalsContact OE1-CD 3.27Å; E480-R482 WeakPolarHBondContact OE1-CD 3.25Å; E480-R482 IonicContact OE1-CZ 3.95Å; E480-R482 IonicContact OE1-NE 3.64Å; E480-R482 PolarHBondContact OE1-NE 2.84Å; E480-R482 IonicContact OE1-NH2 3.87Å; E480-R482 IonicContact OE2-CZ 2.75Å; E480-R482 VanDerWaalsContact OE2-CZ 3.23Å; E480-R482 IonicContact OE2-NE 3.23Å; E480-R482 PolarHBondContact OE2-NE 2.8Å; E480-R482 IonicContact OE2-NH2 2.74Å; E480-R482 PolarHBondContact OE2-NH2 2.73Å |
| 481 | S | 50.8 | Low | 49.9 | Very low | 132 Ų | 132 | 146.8 Ų | 146.8 | 92% | 0.923 | 77% | 0.765 | S | S | * | * | | | trans | -124.4 | 106.2 | 130.2 | -84.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 482 | R | 55 | Low | 50.6 | Low | 190 Ų | 190 | 147.5 Ų | 147.5 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | | | trans | -93.5 | 111.5 | -158.7 | -70 | 175.2 | -103.9 | 126.9 | -8.7 | 113.5 | E480 | E480-R482 HydrophobicContact CB-CG 4.23Å; E480-R482 HydrophobicContact CG-CG 4.38Å; E480-R482 VanDerWaalsContact OE1-CD 3.27Å; E480-R482 WeakPolarHBondContact OE1-CD 3.25Å; E480-R482 IonicContact OE1-CZ 3.95Å; E480-R482 IonicContact OE1-NE 3.64Å; E480-R482 PolarHBondContact OE1-NE 2.84Å; E480-R482 IonicContact OE1-NH2 3.87Å; E480-R482 IonicContact OE2-CZ 2.75Å; E480-R482 VanDerWaalsContact OE2-CZ 3.23Å; E480-R482 IonicContact OE2-NE 3.23Å; E480-R482 PolarHBondContact OE2-NE 2.8Å; E480-R482 IonicContact OE2-NH2 2.74Å; E480-R482 PolarHBondContact OE2-NH2 2.73Å |
| 483 | K | 59.7 | Low | 51.5 | Low | 190 Ų | 190 | 150 Ų | 150 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | | | trans | -160.9 | 76.9 | 161.9 | -166.7 | -173.8 | 179.3 | -165.5 | 0 | 109.8 | | |
| 484 | L | 52.7 | Low | 52.1 | Low | 163 Ų | 163 | 149.7 Ų | 149.7 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | | | | 55.2 | 78.1 | 64.1 | -162.6 | 84.8 | 0 | 0 | 0 | 113.8 | | |
| 485 | T | 56.1 | Low | 52.6 | Low | 125 Ų | 125 | 146.7 Ų | 146.7 | 77% | 0.767 | 77% | 0.765 | S | S | * | * | | | trans | -140.5 | 97.9 | 148 | 26.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 486 | V | 56.8 | Low | 53.1 | Low | 128 Ų | 128 | 146.6 Ų | 146.6 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | trans | 47.6 | 90 | 137 | -172.9 | 0 | 0 | 0 | 0 | 117.4 | | |
| 487 | D | 52.8 | Low | 53.4 | Low | 122 Ų | 122 | 145.3 Ų | 145.3 | 65% | 0.652 | 76% | 0.76 | S | S | * | * | | | | 8.4 | 118.8 | 123.7 | -172.7 | 22.2 | 0 | 0 | 0 | 117.6 | Y489 | D487-Y489 WeakPolarHBondContact OD1-CD2 3.5Š|
| 488 | A | 55.9 | Low | 54.1 | Low | 100 Ų | 100 | 145 Ų | 145 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | | | trans | -126.1 | 93.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 489 | Y | 51.7 | Low | 54.8 | Low | 178 Ų | 178 | 140.5 Ų | 140.5 | 70% | 0.698 | 74% | 0.742 | S | S | * | * | | | trans | -56.3 | 141.2 | -177.6 | -118.5 | -118.3 | 0 | 0 | 0 | 113.4 | D487 | D487-Y489 WeakPolarHBondContact OD1-CD2 3.5Š|
| 490 | H | 54.6 | Low | 55.1 | Low | 143 Ų | 143 | 139.8 Ų | 139.8 | 66% | 0.662 | 74% | 0.74 | S | S | * | * | | | trans | 12.2 | 123.2 | 139.3 | -51.2 | 78.5 | 0 | 0 | 0 | 118 | | |
| 491 | N | 51.8 | Low | 56 | Low | 160 Ų | 160 | 141.2 Ų | 141.2 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | | | | -167.1 | 127.3 | 123.8 | -97.8 | -17.4 | 0 | 0 | 0 | 111.8 | | |
| 492 | K | 59.3 | Low | 56.5 | Low | 189 Ų | 189 | 139.5 Ų | 139.5 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | | | trans | -92 | 130.7 | 147.7 | -69.6 | -171.2 | 176.9 | -168.1 | 0 | 107.1 | | |
| 493 | P | 58.5 | Low | 56.6 | Low | 118 Ų | 118 | 139.5 Ų | 139.5 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | | | trans | -68 | 140.9 | 148.1 | 30.6 | -29.7 | 0 | 0 | 0 | 109.2 | | |
| 494 | I | 54 | Low | 56.6 | Low | 168 Ų | 168 | 137.2 Ų | 137.2 | 86% | 0.862 | 74% | 0.743 | S | S | * | * | | | trans | -116.1 | 141 | 161.5 | -69.7 | 171.1 | 0 | 0 | 0 | 104.9 | | |
| 495 | G | 51.6 | Low | 56.6 | Low | 56 Ų | 56 | 132.7 Ų | 132.7 | 58% | 0.577 | 74% | 0.736 | S | S | * | * | | | trans | 89.2 | 139.5 | -160.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 496 | D | 52.3 | Low | 56 | Low | 154 Ų | 154 | 141.6 Ų | 141.6 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | | | cis | -79.5 | 141.9 | 21.2 | -3.6 | 61.1 | 0 | 0 | 0 | 115.7 | | |
| 497 | Q | 54.4 | Low | 55.9 | Low | 151 Ų | 151 | 142.3 Ų | 142.3 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | | | trans | -82.7 | 125.5 | 134.9 | -76.3 | 167.4 | -127.3 | 0 | 0 | 105 | D499 | Q497-D499 WeakPolarHBondContact CB-OD1 3.42Å; Q497-D499 PolarHBondContact NE2-OD1 3.03Å; Q497-D499 PolarHBondContact NE2-OD2 3.35Å; Q497-D499 PolarHBondContact O-N 3.16Å |
| 498 | D | 60.7 | Low | 56.1 | Low | 128 Ų | 128 | 143.4 Ų | 143.4 | 68% | 0.684 | 76% | 0.763 | S | S | * | * | | | trans | -91.5 | 82.6 | 166.9 | -152.9 | 28.8 | 0 | 0 | 0 | 107.6 | N500 | D498-N500 PolarHBondContact O-N 3.44Å; D498-N500 PolarHBondContact OD2-ND2 2.69Å |
| 499 | D | 63.3 | Low | 56.1 | Low | 110 Ų | 110 | 145.8 Ų | 145.8 | 59% | 0.588 | 76% | 0.759 | S | S | * | * | | | trans | -70.6 | 66.5 | -177.9 | -65.5 | -40.8 | 0 | 0 | 0 | 110.2 | Q497 D501 | Q497-D499 WeakPolarHBondContact CB-OD1 3.42Å; Q497-D499 PolarHBondContact NE2-OD1 3.03Å; Q497-D499 PolarHBondContact NE2-OD2 3.35Å; Q497-D499 PolarHBondContact O-N 3.16Å; D499-D501 PolarHBondContact O-N 3.35Å |
| 500 | N | 59.3 | Low | 56.4 | Low | 110 Ų | 110 | 143.9 Ų | 143.9 | 59% | 0.588 | 76% | 0.763 | S | S | * | * | | | trans | -75.1 | 67.2 | 178.5 | -75.3 | -58.3 | 0 | 0 | 0 | 111.6 | D498 C502 | D498-N500 PolarHBondContact O-N 3.44Å; D498-N500 PolarHBondContact OD2-ND2 2.69Å; N500-C502 PolarHBondContact O-N 2.78Å |
| 501 | D | 64.1 | Low | 56.5 | Low | 151 Ų | 151 | 143.9 Ų | 143.9 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | | | trans | -66.9 | 59.9 | 162.4 | -81 | -35.2 | 0 | 0 | 0 | 110.7 | D499 Q503 | D499-D501 PolarHBondContact O-N 3.35Å; D501-Q503 WeakPolarHBondContact O-CA 3.43Å; D501-Q503 WeakPolarHBondContact O-CB 3.35Å; D501-Q503 PolarHBondContact O-N 3.41Å |
| 502 | C | 61.3 | Low | 56.8 | Low | 96 Ų | 96 | 142.9 Ų | 142.9 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | | | trans | -84.8 | 91.7 | 168.5 | -75.4 | 0 | 0 | 0 | 0 | 108.2 | N500 D504 | N500-C502 PolarHBondContact O-N 2.78Å; C502-D504 VanDerWaalsContact C-N 3.25Å |
| 503 | Q | 58.5 | Low | 56.6 | Low | 189 Ų | 189 | 139.6 Ų | 139.6 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | | | cis | 94.2 | -22.7 | 30.1 | -65.5 | -172.5 | 46.9 | 0 | 0 | 110.9 | D501 | D501-Q503 WeakPolarHBondContact O-CA 3.43Å; D501-Q503 WeakPolarHBondContact O-CB 3.35Å; D501-Q503 PolarHBondContact O-N 3.41Å |
| 504 | D | 59.6 | Low | 56.5 | Low | 143 Ų | 143 | 141.2 Ų | 141.2 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | | | trans | -127.9 | 83.2 | -161.4 | -66.8 | 75.5 | 0 | 0 | 0 | 109.9 | C502 | C502-D504 VanDerWaalsContact C-N 3.25Š|
| 505 | G | 51.6 | Low | 56.7 | Low | 68 Ų | 68 | 139 Ų | 139 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | | | trans | -96.9 | 172.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 506 | Y | 43.7 | Very low | 57.2 | Low | 312 Ų | 312 | 146.5 Ų | 146.5 | 100% | 1.224 | 77% | 0.765 | S | S | * | * | | | trans | -138.4 | 0 | 160 | -97.1 | -75 | 0 | 0 | 0 | 110.4 | | |