| 1 | M | 63.4 | Low | 79.1 | Confident | 209 Ų | 209 | 120.5 Ų | 120.5 | 100% | 1.03 | 63% | 0.634 | S | S | * | * | | | | 0 | 97.7 | 0 | -140.4 | 69 | 175.3 | 0 | 0 | 106.2 | I3 | M1-I3 PolarHBondContact O-N 2.99Å; M1-I3 VanDerWaalsContact O-N 3.11Å |
| 2 | D | 67.3 | Low | 80.2 | Confident | 136 Ų | 136 | 118.3 Ų | 118.3 | 73% | 0.727 | 63% | 0.629 | S | S | * | * | | | trans | -102.1 | 75.6 | -144.4 | -62.6 | -93.9 | 0 | 0 | 0 | 108.8 | Y4 D5 | D2-Y4 PolarHBondContact O-N 3.19Å; D2-D5 WeakPolarHBondContact O-CB 3.37Å; D2-D5 PolarHBondContact O-N 3.45Å |
| 3 | I | 66.5 | Low | 81.1 | Confident | 134 Ų | 134 | 116 Ų | 116 | 69% | 0.687 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -18.4 | -176.5 | -64.8 | 158.8 | 0 | 0 | 0 | 112.3 | M1 | M1-I3 PolarHBondContact O-N 2.99Å; M1-I3 VanDerWaalsContact O-N 3.11Å |
| 4 | Y | 73.2 | Confident | 81.9 | Confident | 205 Ų | 205 | 117.5 Ų | 117.5 | 80% | 0.804 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | 6.7 | 177.5 | -59.6 | -75.3 | 0 | 0 | 0 | 114.5 | D2 T6 | D2-Y4 PolarHBondContact O-N 3.19Å; Y4-T6 PolarHBondContact O-N 3.28Å |
| 5 | D | 85.1 | Confident | 82.8 | Confident | 65 Ų | 65 | 111.8 Ų | 111.8 | 35% | 0.348 | 60% | 0.601 | S | S | . | * | | | trans | -56 | 125.5 | 170.8 | 159.4 | 50.4 | 0 | 0 | 0 | 110.6 | D2 Q7 T8 L9 | D2-D5 WeakPolarHBondContact O-CB 3.37Å; D2-D5 PolarHBondContact O-N 3.45Å; D5-Q7 PolarHBondContact O-N 3.43Å; D5-Q7 PolarHBondContact OD1-N 3.02Å; D5-Q7 VanDerWaalsContact OD1-N 3.15Å; D5-Q7 WeakPolarHBondContact OD2-CB 3.39Å; D5-Q7 PolarHBondContact OD2-N 3.29Å; D5-T8 PolarHBondContact O-N 3.09Å; D5-T8 VanDerWaalsContact O-N 3.16Å; D5-T8 VanDerWaalsContact OD2-CB 3.31Å; D5-T8 WeakPolarHBondContact OD2-CB 3.46Å; D5-T8 PolarHBondContact OD2-N 3.44Å; D5-T8 PolarHBondContact OD2-OG1 3.06Å; D5-L9 WeakPolarHBondContact O-CB 3.2Å; D5-L9 PolarHBondContact O-N 3.03Å |
| 6 | T | 81.8 | Confident | 83.7 | Confident | 120 Ų | 120 | 107 Ų | 107 | 74% | 0.736 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -59.4 | -31.5 | -176.8 | -49.8 | 0 | 0 | 0 | 0 | 112.7 | Y4 G10 | Y4-T6 PolarHBondContact O-N 3.28Å; T6-G10 PolarHBondContact O-N 3.45Å |
| 7 | Q | 83.2 | Confident | 84.4 | Confident | 156 Ų | 156 | 108.9 Ų | 108.9 | 73% | 0.729 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70.3 | -48.6 | 176.3 | -178.5 | 178.5 | 112 | 0 | 0 | 110.9 | D5 G10 V11 | D5-Q7 PolarHBondContact O-N 3.43Å; D5-Q7 PolarHBondContact OD1-N 3.02Å; D5-Q7 VanDerWaalsContact OD1-N 3.15Å; D5-Q7 WeakPolarHBondContact OD2-CB 3.39Å; D5-Q7 PolarHBondContact OD2-N 3.29Å; Q7-G10 PolarHBondContact O-N 2.98Å; Q7-V11 WeakPolarHBondContact O-CG2 3.36Å; Q7-V11 PolarHBondContact O-N 3.05Å |
| 8 | T | 84.5 | Confident | 85 | Confident | 70 Ų | 70 | 109.1 Ų | 109.1 | 43% | 0.429 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.5 | -47.2 | 176.7 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | D5 G10 V11 V12 | D5-T8 PolarHBondContact O-N 3.09Å; D5-T8 VanDerWaalsContact O-N 3.16Å; D5-T8 VanDerWaalsContact OD2-CB 3.31Å; D5-T8 WeakPolarHBondContact OD2-CB 3.46Å; D5-T8 PolarHBondContact OD2-N 3.44Å; D5-T8 PolarHBondContact OD2-OG1 3.06Å; T8-G10 VanDerWaalsContact C-N 3.31Å; T8-G10 PolarHBondContact O-N 2.73Å; T8-V11 PolarHBondContact O-N 3.46Å; T8-V12 HydrophobicContact CG2-CG2 4.49Å; T8-V12 WeakPolarHBondContact O-CG2 3.04Å; T8-V12 PolarHBondContact O-N 2.76Å |
| 9 | L | 87.6 | Confident | 85.6 | Confident | 89 Ų | 89 | 107.8 Ų | 107.8 | 47% | 0.466 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60.9 | -41.1 | 175.2 | -176 | 64 | 0 | 0 | 0 | 111.2 | D5 V12 V13 | D5-L9 WeakPolarHBondContact O-CB 3.2Å; D5-L9 PolarHBondContact O-N 3.03Å; L9-V12 PolarHBondContact O-N 3.2Å; L9-V13 HydrophobicContact CD1-CG2 4.04Å; L9-V13 HydrophobicContact CG-CG2 4.32Å; L9-V13 WeakPolarHBondContact O-CB 3.29Å; L9-V13 VanDerWaalsContact O-CG2 3.27Å; L9-V13 WeakPolarHBondContact O-CG2 3.24Å; L9-V13 PolarHBondContact O-N 3.36Å |
| 10 | G | 89.9 | Confident | 86.1 | Confident | 39 Ų | 39 | 107.5 Ų | 107.5 | 40% | 0.402 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -59.4 | -44.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T6 Q7 T8 F14 | T6-G10 PolarHBondContact O-N 3.45Å; Q7-G10 PolarHBondContact O-N 2.98Å; T8-G10 VanDerWaalsContact C-N 3.31Å; T8-G10 PolarHBondContact O-N 2.73Å; G10-F14 WeakPolarHBondContact O-CB 3.29Å; G10-F14 PolarHBondContact O-N 2.71Å |
| 11 | V | 87.8 | Confident | 86.5 | Confident | 102 Ų | 102 | 104.1 Ų | 104.1 | 62% | 0.618 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.2 | -41.8 | 177 | 172.6 | 0 | 0 | 0 | 0 | 111.8 | Q7 T8 G15 | Q7-V11 WeakPolarHBondContact O-CG2 3.36Å; Q7-V11 PolarHBondContact O-N 3.05Å; T8-V11 PolarHBondContact O-N 3.46Å; V11-G15 PolarHBondContact O-N 2.76Å |
| 12 | V | 91.7 | Very high | 88 | Confident | 94 Ų | 94 | 97 Ų | 97 | 57% | 0.57 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.9 | -44.1 | 177.9 | 171 | 0 | 0 | 0 | 0 | 111.2 | T8 L9 G16 | T8-V12 HydrophobicContact CG2-CG2 4.49Å; T8-V12 WeakPolarHBondContact O-CG2 3.04Å; T8-V12 PolarHBondContact O-N 2.76Å; L9-V12 PolarHBondContact O-N 3.2Å; V12-G16 WeakPolarHBondContact O-CA 3.06Å; V12-G16 PolarHBondContact O-N 2.74Å |
| 13 | V | 92.8 | Very high | 89.4 | Confident | 89 Ų | 89 | 94.9 Ų | 94.9 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69 | -44.7 | 177.2 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | L9 F17 | L9-V13 HydrophobicContact CD1-CG2 4.04Å; L9-V13 HydrophobicContact CG-CG2 4.32Å; L9-V13 WeakPolarHBondContact O-CB 3.29Å; L9-V13 VanDerWaalsContact O-CG2 3.27Å; L9-V13 WeakPolarHBondContact O-CG2 3.24Å; L9-V13 PolarHBondContact O-N 3.36Å; V13-F17 WeakPolarHBondContact O-CB 3.16Å; V13-F17 PolarHBondContact O-N 2.84Å |
| 14 | F | 92.2 | Very high | 90.7 | Very high | 137 Ų | 137 | 90 Ų | 90 | 60% | 0.601 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.3 | -45.6 | 178.9 | -178.2 | -99.5 | 0 | 0 | 0 | 112.1 | G10 M18 | G10-F14 WeakPolarHBondContact O-CB 3.29Å; G10-F14 PolarHBondContact O-N 2.71Å; F14-M18 HydrophobicContact CD1-CG 4.48Å; F14-M18 HydrophobicContact CD1-SD 4.48Å; F14-M18 HydrophobicContact CE1-CG 4.1Å; F14-M18 HydrophobicContact CE1-SD 3.66Å; F14-M18 HydrophobicContact CZ-CG 4.13Å; F14-M18 HydrophobicContact CZ-SD 3.8Å; F14-M18 WeakPolarHBondContact O-CB 3.24Å; F14-M18 WeakPolarHBondContact O-CG 3.45Å; F14-M18 PolarHBondContact O-N 3.42Å |
| 15 | G | 95.6 | Very high | 91.6 | Very high | 32 Ų | 32 | 86 Ų | 86 | 33% | 0.33 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.2 | -46.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V11 M18 V19 | V11-G15 PolarHBondContact O-N 2.76Å; G15-M18 PolarHBondContact O-N 3.17Å; G15-V19 WeakPolarHBondContact O-CG2 3.29Å; G15-V19 PolarHBondContact O-N 3.07Å |
| 16 | G | 96.6 | Very high | 91.9 | Very high | 35 Ų | 35 | 89.6 Ų | 89.6 | 36% | 0.361 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V12 V19 V20 | V12-G16 WeakPolarHBondContact O-CA 3.06Å; V12-G16 PolarHBondContact O-N 2.74Å; G16-V19 PolarHBondContact O-N 2.92Å; G16-V20 WeakPolarHBondContact O-CB 3.34Å; G16-V20 VanDerWaalsContact O-CG2 3.31Å; G16-V20 WeakPolarHBondContact O-CG2 3.44Å; G16-V20 PolarHBondContact O-N 3.45Å |
| 17 | F | 95.2 | Very high | 92.4 | Very high | 140 Ų | 140 | 88 Ų | 88 | 61% | 0.614 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.4 | -37.9 | 176.1 | -176 | -98.8 | 0 | 0 | 0 | 112.4 | V13 S21 | V13-F17 WeakPolarHBondContact O-CB 3.16Å; V13-F17 PolarHBondContact O-N 2.84Å; F17-S21 WeakPolarHBondContact CE1-OG 3.09Å; F17-S21 WeakPolarHBondContact CZ-OG 3.5Å; F17-S21 WeakPolarHBondContact O-CB 3.23Å; F17-S21 PolarHBondContact O-N 3.23Å; F17-S21 PolarHBondContact O-OG 2.92Å |
| 18 | M | 95.3 | Very high | 92.5 | Very high | 111 Ų | 111 | 85.4 Ų | 85.4 | 55% | 0.547 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 172.2 | -84.7 | -153.3 | 71.6 | 0 | 0 | 112 | F14 G15 S21 A22 | F14-M18 HydrophobicContact CD1-CG 4.48Å; F14-M18 HydrophobicContact CD1-SD 4.48Å; F14-M18 HydrophobicContact CE1-CG 4.1Å; F14-M18 HydrophobicContact CE1-SD 3.66Å; F14-M18 HydrophobicContact CZ-CG 4.13Å; F14-M18 HydrophobicContact CZ-SD 3.8Å; F14-M18 WeakPolarHBondContact O-CB 3.24Å; F14-M18 WeakPolarHBondContact O-CG 3.45Å; F14-M18 PolarHBondContact O-N 3.42Å; G15-M18 PolarHBondContact O-N 3.17Å; M18-S21 PolarHBondContact O-N 2.67Å; M18-A22 WeakPolarHBondContact O-CB 3.24Å; M18-A22 PolarHBondContact O-N 3.42Å |
| 19 | V | 96.8 | Very high | 92.6 | Very high | 86 Ų | 86 | 85.3 Ų | 85.3 | 52% | 0.521 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67 | -46.5 | 178.8 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | G15 G16 S21 A22 I23 | G15-V19 WeakPolarHBondContact O-CG2 3.29Å; G15-V19 PolarHBondContact O-N 3.07Å; G16-V19 PolarHBondContact O-N 2.92Å; V19-S21 VanDerWaalsContact C-N 3.34Å; V19-S21 PolarHBondContact O-N 2.82Å; V19-A22 PolarHBondContact O-N 2.78Å; V19-I23 HydrophobicContact CG1-CD1 3.75Å; V19-I23 HydrophobicContact CG1-CG1 4.49Å; V19-I23 WeakPolarHBondContact O-CB 3.06Å; V19-I23 VanDerWaalsContact O-CG1 3.28Å; V19-I23 WeakPolarHBondContact O-CG1 3.17Å; V19-I23 PolarHBondContact O-N 2.81Å |
| 20 | V | 95.7 | Very high | 92.3 | Very high | 101 Ų | 101 | 83.1 Ų | 83.1 | 61% | 0.612 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.6 | -36.4 | 177.4 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | G16 G24 | G16-V20 WeakPolarHBondContact O-CB 3.34Å; G16-V20 VanDerWaalsContact O-CG2 3.31Å; G16-V20 WeakPolarHBondContact O-CG2 3.44Å; G16-V20 PolarHBondContact O-N 3.45Å; V20-G24 WeakPolarHBondContact O-CA 3.1Å; V20-G24 PolarHBondContact O-N 3.02Å |
| 21 | S | 94.7 | Very high | 91.7 | Very high | 36 Ų | 36 | 85.9 Ų | 85.9 | 25% | 0.252 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.2 | -39.8 | 174.2 | -62.1 | 0 | 0 | 0 | 0 | 112.1 | F17 M18 V19 G24 I25 | F17-S21 WeakPolarHBondContact CE1-OG 3.09Å; F17-S21 WeakPolarHBondContact CZ-OG 3.5Å; F17-S21 WeakPolarHBondContact O-CB 3.23Å; F17-S21 PolarHBondContact O-N 3.23Å; F17-S21 PolarHBondContact O-OG 2.92Å; M18-S21 PolarHBondContact O-N 2.67Å; V19-S21 VanDerWaalsContact C-N 3.34Å; V19-S21 PolarHBondContact O-N 2.82Å; S21-G24 PolarHBondContact O-N 2.76Å; S21-I25 WeakPolarHBondContact O-CB 3.46Å; S21-I25 VanDerWaalsContact O-CG1 3.25Å; S21-I25 WeakPolarHBondContact O-CG1 3.11Å; S21-I25 PolarHBondContact O-N 2.83Å |
| 22 | A | 95.1 | Very high | 91 | Very high | 60 Ų | 60 | 84.2 Ų | 84.2 | 50% | 0.496 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | M18 V19 F26 | M18-A22 WeakPolarHBondContact O-CB 3.24Å; M18-A22 PolarHBondContact O-N 3.42Å; V19-A22 PolarHBondContact O-N 2.78Å; A22-F26 WeakPolarHBondContact O-CB 2.99Å; A22-F26 PolarHBondContact O-N 3.34Å |
| 23 | I | 95.3 | Very high | 89.7 | Confident | 91 Ų | 91 | 86.8 Ų | 86.8 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.3 | -42 | 173.8 | -67.5 | 167.4 | 0 | 0 | 0 | 110.8 | V19 F26 L27 | V19-I23 HydrophobicContact CG1-CD1 3.75Å; V19-I23 HydrophobicContact CG1-CG1 4.49Å; V19-I23 WeakPolarHBondContact O-CB 3.06Å; V19-I23 VanDerWaalsContact O-CG1 3.28Å; V19-I23 WeakPolarHBondContact O-CG1 3.17Å; V19-I23 PolarHBondContact O-N 2.81Å; I23-F26 PolarHBondContact O-N 2.77Å; I23-L27 HydrophobicContact CG2-CD1 3.82Å; I23-L27 HydrophobicContact CG2-CG 4.21Å; I23-L27 VanDerWaalsContact O-CB 3.29Å; I23-L27 WeakPolarHBondContact O-CB 3.24Å; I23-L27 VanDerWaalsContact O-CG 3.28Å; I23-L27 WeakPolarHBondContact O-CG 3.29Å; I23-L27 PolarHBondContact O-N 3.12Å |
| 24 | G | 94.5 | Very high | 88.3 | Confident | 32 Ų | 32 | 88 Ų | 88 | 33% | 0.33 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V20 S21 L27 V28 | V20-G24 WeakPolarHBondContact O-CA 3.1Å; V20-G24 PolarHBondContact O-N 3.02Å; S21-G24 PolarHBondContact O-N 2.76Å; G24-L27 PolarHBondContact O-N 3.15Å; G24-V28 WeakPolarHBondContact O-CB 3.33Å; G24-V28 WeakPolarHBondContact O-CG2 3.28Å; G24-V28 PolarHBondContact O-N 3.01Å |
| 25 | I | 92.3 | Very high | 86.7 | Confident | 121 Ų | 121 | 87.1 Ų | 87.1 | 62% | 0.621 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.9 | -38.6 | 174.2 | -64.8 | 165 | 0 | 0 | 0 | 110.4 | S21 S29 | S21-I25 WeakPolarHBondContact O-CB 3.46Å; S21-I25 VanDerWaalsContact O-CG1 3.25Å; S21-I25 WeakPolarHBondContact O-CG1 3.11Å; S21-I25 PolarHBondContact O-N 2.83Å; I25-S29 WeakPolarHBondContact O-CA 3.44Å; I25-S29 WeakPolarHBondContact O-CB 3.36Å; I25-S29 PolarHBondContact O-N 2.86Å |
| 26 | F | 91.4 | Very high | 84.9 | Confident | 141 Ų | 141 | 90.7 Ų | 90.7 | 62% | 0.618 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64 | -40.8 | 174.6 | -178.2 | -95.9 | 0 | 0 | 0 | 111.7 | A22 I23 T30 | A22-F26 WeakPolarHBondContact O-CB 2.99Å; A22-F26 PolarHBondContact O-N 3.34Å; I23-F26 PolarHBondContact O-N 2.77Å; F26-T30 HydrophobicContact CD1-CG2 4.43Å; F26-T30 HydrophobicContact CE1-CG2 4.28Å; F26-T30 WeakPolarHBondContact O-CA 3.44Å; F26-T30 WeakPolarHBondContact O-CB 3.5Å; F26-T30 WeakPolarHBondContact O-CG2 3.22Å; F26-T30 PolarHBondContact O-N 2.68Å |
| 27 | L | 91.5 | Very high | 83.2 | Confident | 87 Ų | 87 | 92.8 Ų | 92.8 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.1 | -49.5 | 175.6 | -75.4 | 174.6 | 0 | 0 | 0 | 111.3 | I23 G24 S29 F31 | I23-L27 HydrophobicContact CG2-CD1 3.82Å; I23-L27 HydrophobicContact CG2-CG 4.21Å; I23-L27 VanDerWaalsContact O-CB 3.29Å; I23-L27 WeakPolarHBondContact O-CB 3.24Å; I23-L27 VanDerWaalsContact O-CG 3.28Å; I23-L27 WeakPolarHBondContact O-CG 3.29Å; I23-L27 PolarHBondContact O-N 3.12Å; G24-L27 PolarHBondContact O-N 3.15Å; L27-S29 VanDerWaalsContact C-N 3.32Å; L27-S29 PolarHBondContact O-N 3.36Å; L27-F31 VanDerWaalsContact O-CB 3.24Å; L27-F31 WeakPolarHBondContact O-CB 3.28Å; L27-F31 WeakPolarHBondContact O-CD2 3.31Å; L27-F31 PolarHBondContact O-N 3.41Å |
| 28 | V | 87 | Confident | 81.4 | Confident | 101 Ų | 101 | 94.5 Ų | 94.5 | 61% | 0.612 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.1 | -36.7 | 177.4 | 169.9 | 0 | 0 | 0 | 0 | 111.6 | G24 S32 | G24-V28 WeakPolarHBondContact O-CB 3.33Å; G24-V28 WeakPolarHBondContact O-CG2 3.28Å; G24-V28 PolarHBondContact O-N 3.01Å; V28-S32 VanDerWaalsContact O-CB 3.24Å; V28-S32 WeakPolarHBondContact O-CB 3.38Å; V28-S32 PolarHBondContact O-N 3.43Å; V28-S32 PolarHBondContact O-OG 2.84Å |
| 29 | S | 86.6 | Confident | 80 | Confident | 67 Ų | 67 | 95.5 Ų | 95.5 | 47% | 0.469 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -76.8 | -43.1 | 178.6 | -172.7 | 0 | 0 | 0 | 0 | 111.8 | I25 L27 S32 M33 | I25-S29 WeakPolarHBondContact O-CA 3.44Å; I25-S29 WeakPolarHBondContact O-CB 3.36Å; I25-S29 PolarHBondContact O-N 2.86Å; L27-S29 VanDerWaalsContact C-N 3.32Å; L27-S29 PolarHBondContact O-N 3.36Å; S29-S32 PolarHBondContact O-N 2.75Å; S29-M33 WeakPolarHBondContact O-CB 3.4Å; S29-M33 PolarHBondContact O-N 3.33Å |
| 30 | T | 81.5 | Confident | 78.3 | Confident | 44 Ų | 44 | 96 Ų | 96 | 27% | 0.27 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.4 | -34.4 | 176.4 | -154.9 | 0 | 0 | 0 | 0 | 111.9 | F26 K34 | F26-T30 HydrophobicContact CD1-CG2 4.43Å; F26-T30 HydrophobicContact CE1-CG2 4.28Å; F26-T30 WeakPolarHBondContact O-CA 3.44Å; F26-T30 WeakPolarHBondContact O-CB 3.5Å; F26-T30 WeakPolarHBondContact O-CG2 3.22Å; F26-T30 PolarHBondContact O-N 2.68Å; T30-K34 WeakPolarHBondContact O-CB 3.1Å; T30-K34 VanDerWaalsContact O-CG 3.29Å; T30-K34 WeakPolarHBondContact O-CG 3.39Å; T30-K34 PolarHBondContact O-N 2.83Å |
| 31 | F | 76.2 | Confident | 76.9 | Confident | 97 Ų | 97 | 93.9 Ų | 93.9 | 43% | 0.425 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.9 | -52.5 | 166.4 | -89.7 | -100.2 | 0 | 0 | 0 | 110.3 | L27 M33 K34 E35 | L27-F31 VanDerWaalsContact O-CB 3.24Å; L27-F31 WeakPolarHBondContact O-CB 3.28Å; L27-F31 WeakPolarHBondContact O-CD2 3.31Å; L27-F31 PolarHBondContact O-N 3.41Å; F31-M33 PolarHBondContact O-N 2.83Å; F31-K34 CarbonylContact O-C 3.48Å; F31-K34 WeakPolarHBondContact O-CA 3.25Å; F31-K34 PolarHBondContact O-N 3.35Å; F31-E35 HydrophobicContact CB-CG 3.99Å; F31-E35 HydrophobicContact CD1-CG 3.79Å; F31-E35 HydrophobicContact CG-CG 4.37Å; F31-E35 VanDerWaalsContact O-CB 3.23Å; F31-E35 WeakPolarHBondContact O-CB 3.39Å; F31-E35 WeakPolarHBondContact O-CG 3.46Å; F31-E35 PolarHBondContact O-N 2.77Å |
| 32 | S | 72.5 | Confident | 75.5 | Confident | 67 Ų | 67 | 97 Ų | 97 | 47% | 0.469 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -53.8 | -35.2 | 176.6 | -57.9 | 0 | 0 | 0 | 0 | 113.5 | V28 S29 T36 | V28-S32 VanDerWaalsContact O-CB 3.24Å; V28-S32 WeakPolarHBondContact O-CB 3.38Å; V28-S32 PolarHBondContact O-N 3.43Å; V28-S32 PolarHBondContact O-OG 2.84Å; S29-S32 PolarHBondContact O-N 2.75Å; S32-T36 PolarHBondContact O-N 3.34Å; S32-T36 PolarHBondContact O-OG1 2.84Å |
| 33 | M | 65.3 | Low | 74.2 | Confident | 148 Ų | 148 | 95.9 Ų | 95.9 | 73% | 0.729 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -76.8 | -20.7 | 176.8 | -172.3 | 172.4 | 168.9 | 0 | 0 | 113.8 | S29 F31 | S29-M33 WeakPolarHBondContact O-CB 3.4Å; S29-M33 PolarHBondContact O-N 3.33Å; F31-M33 PolarHBondContact O-N 2.83Å |
| 34 | K | 62.6 | Low | 72.8 | Confident | 114 Ų | 114 | 93.9 Ų | 93.9 | 50% | 0.496 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -92.2 | -40.6 | 169.4 | -78.1 | 176.7 | 63.3 | -169.9 | 0 | 113.1 | T30 F31 T36 S37 Y38 | T30-K34 WeakPolarHBondContact O-CB 3.1Å; T30-K34 VanDerWaalsContact O-CG 3.29Å; T30-K34 WeakPolarHBondContact O-CG 3.39Å; T30-K34 PolarHBondContact O-N 2.83Å; F31-K34 CarbonylContact O-C 3.48Å; F31-K34 WeakPolarHBondContact O-CA 3.25Å; F31-K34 PolarHBondContact O-N 3.35Å; K34-T36 VanDerWaalsContact C-N 3.32Å; K34-T36 PolarHBondContact O-N 3.3Å; K34-S37 CarbonylContact O-C 3.57Å; K34-S37 PolarHBondContact O-N 3.47Å; K34-Y38 VanDerWaalsContact O-CB 3.24Å; K34-Y38 WeakPolarHBondContact O-CB 3.47Å; K34-Y38 PolarHBondContact O-N 2.81Å |
| 35 | E | 60 | Low | 71.6 | Confident | 118 Ų | 118 | 97.9 Ų | 97.9 | 55% | 0.551 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -77.3 | -17.1 | -172.4 | -60 | -79.8 | 99.8 | 0 | 0 | 112 | F31 | F31-E35 HydrophobicContact CB-CG 3.99Å; F31-E35 HydrophobicContact CD1-CG 3.79Å; F31-E35 HydrophobicContact CG-CG 4.37Å; F31-E35 VanDerWaalsContact O-CB 3.23Å; F31-E35 WeakPolarHBondContact O-CB 3.39Å; F31-E35 WeakPolarHBondContact O-CG 3.46Å; F31-E35 PolarHBondContact O-N 2.77Å |
| 36 | T | 56.6 | Low | 70.2 | Confident | 107 Ų | 107 | 100.5 Ų | 100.5 | 66% | 0.656 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -28.8 | 164 | -40.6 | 0 | 0 | 0 | 0 | 111.7 | S32 K34 | S32-T36 PolarHBondContact O-N 3.34Å; S32-T36 PolarHBondContact O-OG1 2.84Å; K34-T36 VanDerWaalsContact C-N 3.32Å; K34-T36 PolarHBondContact O-N 3.3Å |
| 37 | S | 62.3 | Low | 69 | Low | 80 Ų | 80 | 98 Ų | 98 | 56% | 0.559 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -90.8 | -28.2 | -173.8 | -174.9 | 0 | 0 | 0 | 0 | 114.4 | K34 | K34-S37 CarbonylContact O-C 3.57Å; K34-S37 PolarHBondContact O-N 3.47Å |
| 38 | Y | 55.6 | Low | 67.3 | Low | 176 Ų | 176 | 100.1 Ų | 100.1 | 69% | 0.69 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -82.4 | -30.2 | 178.6 | -167.7 | -103.7 | 0 | 0 | 0 | 111.3 | K34 A41 | K34-Y38 VanDerWaalsContact O-CB 3.24Å; K34-Y38 WeakPolarHBondContact O-CB 3.47Å; K34-Y38 PolarHBondContact O-N 2.81Å; Y38-A41 PolarHBondContact O-N 3.49Å |
| 39 | E | 66 | Low | 65.6 | Low | 131 Ų | 131 | 101.5 Ų | 101.5 | 61% | 0.612 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61 | -49 | 170.4 | -155.2 | -73.7 | 146.6 | 0 | 0 | 110.4 | A41 L42 A43 | E39-A41 PolarHBondContact O-N 2.84Å; E39-L42 PolarHBondContact O-N 2.82Å; E39-A43 PolarHBondContact O-N 3.3Å |
| 40 | E | 61.8 | Low | 64.3 | Low | 97 Ų | 97 | 101.9 Ų | 101.9 | 45% | 0.453 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.3 | -25.5 | -179 | -146.3 | -157.8 | 153.6 | 0 | 0 | 113.2 | N44 K47 | E40-N44 VanDerWaalsContact CD-ND2 3.29Å; E40-N44 WeakPolarHBondContact O-CB 3.09Å; E40-N44 PolarHBondContact O-N 2.87Å; E40-N44 PolarHBondContact O-ND2 2.84Å; E40-N44 PolarHBondContact OE1-ND2 3.31Å; E40-K47 IonicContact OE1-NZ 3.96Å |
| 41 | A | 65.4 | Low | 63.2 | Low | 56 Ų | 56 | 106.6 Ų | 106.6 | 46% | 0.463 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.2 | -46.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y38 E39 A43 N44 Q45 | Y38-A41 PolarHBondContact O-N 3.49Å; E39-A41 PolarHBondContact O-N 2.84Å; A41-A43 VanDerWaalsContact C-N 3.34Å; A41-N44 PolarHBondContact O-N 2.94Å; A41-Q45 PolarHBondContact O-N 2.85Å |
| 42 | L | 65.4 | Low | 62 | Low | 102 Ų | 102 | 107.5 Ų | 107.5 | 53% | 0.534 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.6 | -36.5 | 176.8 | -126.3 | 78.6 | 0 | 0 | 0 | 111.4 | E39 | E39-L42 PolarHBondContact O-N 2.82Å |
| 43 | A | 68.3 | Low | 61 | Low | 36 Ų | 36 | 112.5 Ų | 112.5 | 30% | 0.298 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.6 | -46.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E39 A41 R46 K47 | E39-A43 PolarHBondContact O-N 3.3Å; A41-A43 VanDerWaalsContact C-N 3.34Å; A43-R46 PolarHBondContact O-N 3.46Å; A43-K47 WeakPolarHBondContact O-CB 3.44Å; A43-K47 PolarHBondContact O-N 2.85Å |
| 44 | N | 66.6 | Low | 60.1 | Low | 49 Ų | 49 | 113.2 Ų | 113.2 | 26% | 0.262 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.4 | -40.8 | -179.6 | -82.2 | -24.7 | 0 | 0 | 0 | 112.5 | E40 A41 R46 K47 E48 | E40-N44 VanDerWaalsContact CD-ND2 3.29Å; E40-N44 WeakPolarHBondContact O-CB 3.09Å; E40-N44 PolarHBondContact O-N 2.87Å; E40-N44 PolarHBondContact O-ND2 2.84Å; E40-N44 PolarHBondContact OE1-ND2 3.31Å; A41-N44 PolarHBondContact O-N 2.94Å; N44-R46 VanDerWaalsContact C-N 3.29Å; N44-R46 PolarHBondContact O-N 3.39Å; N44-K47 CarbonylContact O-C 3.55Å; N44-K47 PolarHBondContact O-N 2.89Å; N44-K47 WeakPolarHBondContact OD1-CD 3.32Å; N44-K47 VanDerWaalsContact OD1-CE 3.29Å; N44-K47 WeakPolarHBondContact OD1-CE 3.31Å; N44-K47 PolarHBondContact OD1-NZ 2.94Å; N44-E48 WeakPolarHBondContact O-CB 3.46Å; N44-E48 PolarHBondContact O-N 2.72Å |
| 45 | Q | 69.5 | Low | 59.3 | Low | 116 Ų | 116 | 116.3 Ų | 116.3 | 54% | 0.542 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61 | -39.2 | 179 | -159.5 | -116.7 | -21.8 | 0 | 0 | 112 | A41 M49 | A41-Q45 PolarHBondContact O-N 2.85Å; Q45-M49 WeakPolarHBondContact O-CE 3.36Å; Q45-M49 WeakPolarHBondContact O-CG 3.11Å |
| 46 | R | 62.6 | Low | 58.3 | Low | 176 Ų | 176 | 121.4 Ų | 121.4 | 66% | 0.664 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71.4 | -31.3 | 173.6 | -69.3 | 177.1 | 173.9 | 150.7 | -1.6 | 113.6 | A43 N44 A50 | A43-R46 PolarHBondContact O-N 3.46Å; N44-R46 VanDerWaalsContact C-N 3.29Å; N44-R46 PolarHBondContact O-N 3.39Å; R46-A50 WeakPolarHBondContact O-CB 3.41Å |
| 47 | K | 66.3 | Low | 57.7 | Low | 88 Ų | 88 | 118.8 Ų | 118.8 | 38% | 0.383 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -85.2 | -29.8 | -175.9 | 171.1 | -178.3 | 152.8 | -153.1 | 0 | 112.9 | E40 A43 N44 A50 K51 | E40-K47 IonicContact OE1-NZ 3.96Å; A43-K47 WeakPolarHBondContact O-CB 3.44Å; A43-K47 PolarHBondContact O-N 2.85Å; N44-K47 CarbonylContact O-C 3.55Å; N44-K47 PolarHBondContact O-N 2.89Å; N44-K47 WeakPolarHBondContact OD1-CD 3.32Å; N44-K47 VanDerWaalsContact OD1-CE 3.29Å; N44-K47 WeakPolarHBondContact OD1-CE 3.31Å; N44-K47 PolarHBondContact OD1-NZ 2.94Å; K47-A50 PolarHBondContact O-N 3.11Å; K47-K51 HydrophobicContact CG-CD 4.03Å; K47-K51 VanDerWaalsContact O-CB 3.24Å; K47-K51 WeakPolarHBondContact O-CB 3.35Å; K47-K51 VanDerWaalsContact O-CG 3.29Å; K47-K51 WeakPolarHBondContact O-CG 3.27Å; K47-K51 PolarHBondContact O-N 3.22Å |
| 48 | E | 56.3 | Low | 56.7 | Low | 132 Ų | 132 | 124.4 Ų | 124.4 | 62% | 0.617 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -73 | -48 | 177.3 | -175 | -178.4 | 141 | 0 | 0 | 111 | N44 A50 K51 T52 | N44-E48 WeakPolarHBondContact O-CB 3.46Å; N44-E48 PolarHBondContact O-N 2.72Å; E48-A50 PolarHBondContact O-N 2.91Å; E48-A50 VanDerWaalsContact O-N 3.09Å; E48-K51 PolarHBondContact O-N 3.42Å; E48-T52 PolarHBondContact O-N 2.87Å; E48-T52 PolarHBondContact O-OG1 3Å |
| 49 | M | 51.2 | Low | 56.2 | Low | 130 Ų | 130 | 126 Ų | 126 | 64% | 0.64 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -18.1 | 172 | -65 | -168.8 | -62.6 | 0 | 0 | 113.1 | Q45 | Q45-M49 WeakPolarHBondContact O-CE 3.36Å; Q45-M49 WeakPolarHBondContact O-CG 3.11Å |
| 50 | A | 58.4 | Low | 55 | Low | 75 Ų | 75 | 129.7 Ų | 129.7 | 62% | 0.62 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | -7.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | R46 K47 E48 | R46-A50 WeakPolarHBondContact O-CB 3.41Å; K47-A50 PolarHBondContact O-N 3.11Å; E48-A50 PolarHBondContact O-N 2.91Å; E48-A50 VanDerWaalsContact O-N 3.09Å |
| 51 | K | 57.8 | Low | 54.1 | Low | 144 Ų | 144 | 134.3 Ų | 134.3 | 63% | 0.626 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.3 | -2.2 | -174.1 | -68.7 | -173.5 | 178.3 | -174.3 | 0 | 115.6 | K47 E48 H53 H54 | K47-K51 HydrophobicContact CG-CD 4.03Å; K47-K51 VanDerWaalsContact O-CB 3.24Å; K47-K51 WeakPolarHBondContact O-CB 3.35Å; K47-K51 VanDerWaalsContact O-CG 3.29Å; K47-K51 WeakPolarHBondContact O-CG 3.27Å; K47-K51 PolarHBondContact O-N 3.22Å; E48-K51 PolarHBondContact O-N 3.42Å; K51-H53 PolarHBondContact O-N 2.83Å; K51-H54 PolarHBondContact O-N 2.69Å |
| 52 | T | 52.2 | Low | 53.1 | Low | 116 Ų | 116 | 139.8 Ų | 139.8 | 71% | 0.712 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -5.2 | 175.3 | 27.2 | 0 | 0 | 0 | 0 | 114.9 | E48 | E48-T52 PolarHBondContact O-N 2.87Å; E48-T52 PolarHBondContact O-OG1 3Å |
| 53 | H | 51.1 | Low | 52.3 | Low | 171 Ų | 171 | 140.5 Ų | 140.5 | 79% | 0.792 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -24.4 | 178.3 | -167.2 | -92 | 0 | 0 | 0 | 115.3 | K51 | K51-H53 PolarHBondContact O-N 2.83Š|
| 54 | H | 46.7 | Very low | 51.1 | Low | 164 Ų | 164 | 147 Ų | 147 | 76% | 0.759 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -129.7 | 13.6 | -153.3 | -134.7 | -54.1 | 0 | 0 | 0 | 119.2 | K51 | K51-H54 PolarHBondContact O-N 2.69Š|
| 55 | Q | 45.8 | Very low | 50.3 | Low | 179 Ų | 179 | 150.9 Ų | 150.9 | 84% | 0.836 | 72% | 0.72 | S | S | * | * | | | trans | -141 | 60.3 | 175.7 | -158.7 | 171 | 92.1 | 0 | 0 | 114.5 | G57 | Q55-G57 WeakPolarHBondContact CG-O 3.42Š|
| 56 | K | 38 | Very low | 49.4 | Very low | 225 Ų | 225 | 152 Ų | 152 | 98% | 0.978 | 74% | 0.735 | S | S | * | * | | | trans | -91.9 | 103.7 | 155.2 | -83.5 | -171.9 | 176.9 | 177.8 | 0 | 108.8 | | |
| 57 | G | 44 | Very low | 49 | Very low | 52 Ų | 52 | 150.7 Ų | 150.7 | 54% | 0.536 | 74% | 0.736 | S | S | . | * | | | trans | 118.6 | 144 | -170.4 | 0 | 0 | 0 | 0 | 0 | 110 | Q55 | Q55-G57 WeakPolarHBondContact CG-O 3.42Š|
| 58 | E | 42.3 | Very low | 48.1 | Very low | 198 Ų | 198 | 154.5 Ų | 154.5 | 93% | 0.925 | 75% | 0.753 | S | S | * | * | | | cis | -129 | 147.3 | 9.3 | -67.8 | 169.5 | 88.8 | 0 | 0 | 111.6 | | |
| 59 | K | 44.3 | Very low | 47.5 | Very low | 208 Ų | 208 | 158.6 Ų | 158.6 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | | | trans | -100 | 135.2 | 168.3 | -79.2 | -176 | 177.1 | 177.4 | 0 | 109.8 | | |
| 60 | K | 42.1 | Very low | 47.6 | Very low | 210 Ų | 210 | 156 Ų | 156 | 91% | 0.913 | 78% | 0.776 | S | S | * | * | | | trans | 81.4 | 130.4 | 151.3 | -157.2 | -179.6 | -174.8 | 178.7 | 0 | 117 | | |
| 61 | K | 42.6 | Very low | 46.7 | Very low | 193 Ų | 193 | 162.5 Ų | 162.5 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | | | trans | 93.8 | 87.6 | 153.5 | -159.4 | -175.7 | 178.7 | -170 | 0 | 120.1 | | |
| 62 | K | 44.6 | Very low | 46.2 | Very low | 172 Ų | 172 | 162.6 Ų | 162.6 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | | 54.3 | 122.8 | 119.4 | -168.3 | 173 | -173 | -87 | 0 | 120.8 | | |
| 63 | E | 47.4 | Very low | 45.7 | Very low | 117 Ų | 117 | 166.6 Ų | 166.6 | 55% | 0.547 | 81% | 0.81 | S | S | . | * | | | trans | 86.2 | 122.2 | 152.3 | -87.5 | -175.9 | 116.7 | 0 | 0 | 122.7 | | |
| 64 | K | 43.6 | Very low | 45.4 | Very low | 171 Ų | 171 | 168.3 Ų | 168.3 | 74% | 0.743 | 82% | 0.815 | S | S | * | * | | | trans | 39.3 | 108.7 | 132.6 | -61.9 | 171.9 | -172.8 | 156 | 0 | 119.3 | | |
| 65 | T | 48.8 | Very low | 45.4 | Very low | 131 Ų | 131 | 168.6 Ų | 168.6 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | -159.6 | 99.8 | 135.3 | -76.9 | 0 | 0 | 0 | 0 | 106 | | |
| 66 | V | 52.1 | Low | 45.4 | Very low | 141 Ų | 141 | 168.7 Ų | 168.7 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | | | | 83.3 | 144.3 | 92.5 | 113.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 67 | E | 53.9 | Low | 45.8 | Very low | 147 Ų | 147 | 165.1 Ų | 165.1 | 69% | 0.687 | 80% | 0.802 | S | S | * | * | | | trans | -87.6 | 176.1 | -167.2 | -44.6 | 176.2 | 90.2 | 0 | 0 | 115.4 | | |
| 68 | K | 47 | Very low | 45.9 | Very low | 168 Ų | 168 | 172.4 Ų | 172.4 | 73% | 0.73 | 82% | 0.819 | S | S | * | * | | | trans | 68.7 | 99.6 | 150.1 | -71.2 | 158.8 | -179 | 145.4 | 0 | 118.4 | | |
| 69 | K | 43.7 | Very low | 46.9 | Very low | 218 Ų | 218 | 167.9 Ų | 167.9 | 95% | 0.948 | 81% | 0.807 | S | S | * | * | | | | -178.7 | 149.7 | 108.7 | -98.4 | 169.9 | -178.3 | 179.4 | 0 | 110.7 | | |
| 70 | G | 52.9 | Low | 46.6 | Very low | 77 Ų | 77 | 164.8 Ų | 164.8 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | | | trans | 152.4 | 68.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 71 | K | 40.2 | Very low | 47 | Very low | 211 Ų | 211 | 157.9 Ų | 157.9 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | | | trans | -116 | 95.9 | 177.5 | -175.8 | 179.1 | -177.9 | 176.7 | 0 | 109.9 | | |
| 72 | T | 47.1 | Very low | 47.4 | Very low | 146 Ų | 146 | 157.3 Ų | 157.3 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | | | trans | -122.1 | 135 | -179.5 | -42 | 0 | 0 | 0 | 0 | 110 | | |
| 73 | K | 41.8 | Very low | 48.1 | Very low | 199 Ų | 199 | 156.7 Ų | 156.7 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | | | trans | -139.3 | 103.5 | -166.3 | 177 | -161.3 | -178.5 | -171.7 | 0 | 110.2 | | |
| 74 | K | 45.5 | Very low | 48.7 | Very low | 207 Ų | 207 | 156.5 Ų | 156.5 | 90% | 0.9 | 80% | 0.798 | S | S | * | * | | | trans | -179 | 162.5 | 158.5 | -111.9 | 177.2 | 179.4 | -171.2 | 0 | 113 | | |
| 75 | K | 46.7 | Very low | 48.9 | Very low | 171 Ų | 171 | 157.4 Ų | 157.4 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | | | trans | 60.1 | 113.7 | -179 | -81.4 | -163.6 | 161.8 | -156.1 | 0 | 116 | | |
| 76 | E | 44.8 | Very low | 49.3 | Very low | 180 Ų | 180 | 158.9 Ų | 158.9 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | | | cis | 85.6 | 152.5 | 25.7 | -155.9 | -176.6 | 149.3 | 0 | 0 | 114.4 | | |
| 77 | E | 45.7 | Very low | 48.8 | Very low | 150 Ų | 150 | 158 Ų | 158 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | | | trans | 87.3 | 103.7 | 172.6 | -142.6 | 177 | 147.8 | 0 | 0 | 117.6 | | |
| 78 | K | 47.4 | Very low | 49 | Very low | 205 Ų | 205 | 157.5 Ų | 157.5 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | | | trans | -99.1 | 140.8 | 150.9 | -71.5 | -177.8 | 176.9 | -178.2 | 0 | 107.2 | | |
| 79 | P | 63.3 | Low | 49 | Very low | 104 Ų | 104 | 156.1 Ų | 156.1 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | | | | -146 | 133.3 | 126.6 | 29.4 | -10.5 | 0 | 0 | 0 | 116.5 | | |
| 80 | N | 37.2 | Very low | 50.1 | Low | 142 Ų | 142 | 150.7 Ų | 150.7 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | | | trans | 60.8 | 103.7 | 132.4 | -158.2 | 14 | 0 | 0 | 0 | 122.1 | | |
| 81 | G | 51.6 | Low | 49.9 | Very low | 66 Ų | 66 | 153.1 Ų | 153.1 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | | | trans | -170 | 111.6 | 151.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 82 | K | 49.5 | Very low | 50.6 | Low | 180 Ų | 180 | 147.7 Ų | 147.7 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | | | | 56.3 | 121.1 | 69.2 | -58.8 | -168.8 | 179.3 | -170.4 | 0 | 110.6 | | |
| 83 | I | 60.8 | Low | 50.6 | Low | 160 Ų | 160 | 146.4 Ų | 146.4 | 82% | 0.821 | 75% | 0.753 | S | S | * | * | | | cis | -135.8 | 153.2 | 20.7 | -60.5 | 172.6 | 0 | 0 | 0 | 110.6 | | |
| 84 | P | 60 | Low | 51.2 | Low | 113 Ų | 113 | 143.5 Ų | 143.5 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | | | trans | -80 | 178.1 | 178 | -15 | 32.8 | 0 | 0 | 0 | 116.7 | | |
| 85 | E | 47.5 | Very low | 51.5 | Low | 190 Ų | 190 | 140.7 Ų | 140.7 | 89% | 0.888 | 74% | 0.739 | S | S | * | * | | | trans | 63.2 | 119.5 | 163.4 | -63 | -162.1 | 135.6 | 0 | 0 | 120.5 | | |
| 86 | H | 57.7 | Low | 51.6 | Low | 162 Ų | 162 | 139.1 Ų | 139.1 | 75% | 0.75 | 74% | 0.738 | S | S | * | * | | | trans | -134.7 | 102.1 | 138.3 | -173.7 | -59.6 | 0 | 0 | 0 | 107.3 | | |
| 87 | D | 41.6 | Very low | 51.7 | Low | 123 Ų | 123 | 138.7 Ų | 138.7 | 66% | 0.658 | 73% | 0.734 | S | S | * | * | | | trans | -59.2 | 143.4 | 172.1 | 174.8 | -114.4 | 0 | 0 | 0 | 111.2 | | |
| 88 | L | 58.1 | Low | 51.4 | Low | 136 Ų | 136 | 138.2 Ų | 138.2 | 71% | 0.712 | 73% | 0.731 | S | S | * | * | | | trans | -163.1 | 56.3 | 171.1 | -116.7 | 174.5 | 0 | 0 | 0 | 110.8 | P90 | L88-P90 WeakPolarHBondContact O-CD 3.44Š|
| 89 | D | 46.6 | Very low | 51.8 | Low | 138 Ų | 138 | 134.5 Ų | 134.5 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | | | trans | -105 | 79.2 | 167.7 | -158.5 | -61.7 | 0 | 0 | 0 | 110.9 | N91 | D89-N91 VanDerWaalsContact C-N 3.33Å; D89-N91 PolarHBondContact O-N 2.8Å |
| 90 | P | 65.5 | Low | 51.1 | Low | 104 Ų | 104 | 134 Ų | 134 | 68% | 0.675 | 72% | 0.723 | S | S | * | * | | | trans | -76.6 | 84.2 | -179.7 | 32.5 | -36.3 | 0 | 0 | 0 | 111.6 | L88 | L88-P90 WeakPolarHBondContact O-CD 3.44Š|
| 91 | N | 49.3 | Very low | 51.4 | Low | 129 Ų | 129 | 137.8 Ų | 137.8 | 69% | 0.69 | 73% | 0.727 | S | S | * | * | | | | 44.7 | 106.1 | 118.9 | -161.4 | -97.1 | 0 | 0 | 0 | 117.7 | D89 | D89-N91 VanDerWaalsContact C-N 3.33Å; D89-N91 PolarHBondContact O-N 2.8Å |
| 92 | V | 56 | Low | 51 | Low | 96 Ų | 96 | 141.3 Ų | 141.3 | 58% | 0.582 | 73% | 0.734 | S | S | * | * | | | trans | 57.4 | 95.3 | 139 | -172.9 | 0 | 0 | 0 | 0 | 117.8 | I94 | V92-I94 HydrophobicContact CG1-CB 4.21Å; V92-I94 HydrophobicContact CG1-CD1 3.78Å; V92-I94 HydrophobicContact CG1-CG1 3.94Å |
| 93 | T | 45.9 | Very low | 50.5 | Low | 119 Ų | 119 | 137.9 Ų | 137.9 | 73% | 0.73 | 73% | 0.733 | S | S | * | * | | | trans | -156 | 108.9 | 148.6 | -72.9 | 0 | 0 | 0 | 0 | 106.1 | I95 | T93-I95 HydrophobicContact CG2-CB 4.09Å; T93-I95 HydrophobicContact CG2-CD1 4.13Å; T93-I95 HydrophobicContact CG2-CG1 3.94Å |
| 94 | I | 54.2 | Low | 49.6 | Very low | 138 Ų | 138 | 134.8 Ų | 134.8 | 71% | 0.708 | 73% | 0.732 | S | S | * | * | | | cis | 59.6 | 40.5 | 17 | -34.1 | -164.2 | 0 | 0 | 0 | 114.3 | V92 | V92-I94 HydrophobicContact CG1-CB 4.21Å; V92-I94 HydrophobicContact CG1-CD1 3.78Å; V92-I94 HydrophobicContact CG1-CG1 3.94Å |
| 95 | I | 52.1 | Low | 49 | Very low | 148 Ų | 148 | 136 Ų | 136 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | | | trans | -116.3 | 97.5 | 138.9 | -70.7 | 167.8 | 0 | 0 | 0 | 104.3 | T93 | T93-I95 HydrophobicContact CG2-CB 4.09Å; T93-I95 HydrophobicContact CG2-CD1 4.13Å; T93-I95 HydrophobicContact CG2-CG1 3.94Å |
| 96 | L | 49.1 | Very low | 48.8 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 73% | 0.728 | 73% | 0.728 | S | S | * | * | | | | 70.3 | 127.8 | 58.5 | -167.1 | 72.6 | 0 | 0 | 0 | 112.3 | | |
| 97 | K | 46.8 | Very low | 48.7 | Very low | 171 Ų | 171 | 129.7 Ų | 129.7 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | | | trans | 78.4 | 91.4 | 167.8 | -154.9 | 69.9 | 64.8 | 174 | 0 | 116.9 | | |
| 98 | E | 40.2 | Very low | 48.7 | Very low | 139 Ų | 139 | 127.8 Ų | 127.8 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | | | trans | -31.8 | 126.7 | 143.5 | 176.3 | -158 | 160.9 | 0 | 0 | 112.5 | V100 | E98-V100 PolarHBondContact O-N 3.47Š|
| 99 | P | 55.4 | Low | 48.3 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 83% | 0.831 | 74% | 0.738 | S | S | * | * | | | trans | -71.7 | 98.2 | 173 | 28.6 | -33 | 0 | 0 | 0 | 110.6 | R101 | P99-R101 PolarHBondContact O-N 3.15Š|
| 100 | V | 47.8 | Very low | 48.4 | Very low | 93 Ų | 93 | 127.6 Ų | 127.6 | 56% | 0.564 | 74% | 0.744 | S | S | * | * | | | trans | -63.2 | 128.4 | -179.6 | 170.7 | 0 | 0 | 0 | 0 | 111.9 | E98 V102 | E98-V100 PolarHBondContact O-N 3.47Å; V100-V102 PolarHBondContact O-N 3.26Å |
| 101 | R | 43.3 | Very low | 47.4 | Very low | 222 Ų | 222 | 128.3 Ų | 128.3 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | | | trans | -24 | 115.3 | 161.9 | -58 | 174 | -71.8 | -154.3 | -3.6 | 114.9 | P99 | P99-R101 PolarHBondContact O-N 3.15Š|
| 102 | V | 44.7 | Very low | 47 | Very low | 139 Ų | 139 | 128 Ų | 128 | 84% | 0.842 | 76% | 0.755 | S | S | * | * | | | trans | -137.2 | 133.8 | 151.5 | -173.7 | 0 | 0 | 0 | 0 | 108.8 | V100 | V100-V102 PolarHBondContact O-N 3.26Š|
| 103 | S | 38.2 | Very low | 46.7 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | | | trans | -85.2 | 131.9 | 173.4 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 104 | A | 41.2 | Very low | 46.5 | Very low | 95 Ų | 95 | 131.6 Ų | 131.6 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | trans | -133.7 | 106.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 105 | V | 48.8 | Very low | 46 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | | | trans | -93.4 | 159.1 | 168.8 | 170 | 0 | 0 | 0 | 0 | 108.6 | | |
| 106 | A | 43.3 | Very low | 45.7 | Very low | 86 Ų | 86 | 129.3 Ų | 129.3 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | | | trans | 82.2 | 151.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 107 | V | 55 | Low | 45.4 | Very low | 133 Ų | 133 | 124.9 Ų | 124.9 | 81% | 0.806 | 76% | 0.76 | S | S | * | * | | | cis | -133.2 | 141.3 | 21.2 | 173.3 | 0 | 0 | 0 | 0 | 113 | | |
| 108 | A | 41.4 | Very low | 45.5 | Very low | 82 Ų | 82 | 125.3 Ų | 125.3 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | | | trans | 31 | 142.5 | 156.6 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 109 | P | 49.3 | Very low | 45.6 | Very low | 129 Ų | 129 | 124.8 Ų | 124.8 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | | | trans | -83.5 | 134.8 | 164.1 | 34.5 | -32 | 0 | 0 | 0 | 112.2 | | |
| 110 | T | 49.3 | Very low | 45.4 | Very low | 142 Ų | 142 | 124 Ų | 124 | 87% | 0.871 | 77% | 0.765 | S | S | * | * | | | trans | -87 | 120.5 | 171.4 | 39 | 0 | 0 | 0 | 0 | 112.2 | | |
| 111 | S | 43.4 | Very low | 45.3 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | trans | -118.3 | 114.7 | 168.8 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 112 | V | 42.1 | Very low | 45.5 | Very low | 123 Ų | 123 | 121 Ų | 121 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | | | trans | -160.5 | 157.8 | 170.9 | -85.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 113 | H | 50.2 | Low | 45.6 | Very low | 176 Ų | 176 | 120.9 Ų | 120.9 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | | | trans | 60.3 | 108.9 | -180 | -81.6 | -94.4 | 0 | 0 | 0 | 115.6 | | |
| 114 | S | 40.8 | Very low | 46.2 | Very low | 113 Ų | 113 | 121.9 Ų | 121.9 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | cis | 73.5 | 140.6 | 20.8 | -155.9 | 0 | 0 | 0 | 0 | 117 | | |
| 115 | S | 44.1 | Very low | 46.3 | Very low | 97 Ų | 97 | 123.1 Ų | 123.1 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | | | trans | 89.4 | 98.7 | 169.4 | -162.9 | 0 | 0 | 0 | 0 | 119.8 | | |
| 116 | V | 45 | Very low | 46.3 | Very low | 141 Ų | 141 | 121.3 Ų | 121.3 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | | | | 52.8 | 123.9 | 129.9 | -175.8 | 0 | 0 | 0 | 0 | 120.4 | | |
| 117 | G | 43.7 | Very low | 47.1 | Very low | 47 Ų | 47 | 125.8 Ų | 125.8 | 49% | 0.485 | 78% | 0.782 | S | S | . | * | | | trans | 134.7 | 118.2 | 131.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 118 | H | 48.9 | Very low | 46.6 | Very low | 179 Ų | 179 | 124.9 Ų | 124.9 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | | | trans | 69.7 | 141.6 | 151.9 | -35.8 | 124.7 | 0 | 0 | 0 | 116.8 | | |
| 119 | T | 41.3 | Very low | 46.5 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | cis | -162 | 138.6 | -8.3 | 11.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 120 | P | 51 | Low | 46.1 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | | | trans | -105.8 | 162.1 | 170.8 | 38.3 | -32.1 | 0 | 0 | 0 | 113.7 | | |
| 121 | I | 46.5 | Very low | 45.5 | Very low | 168 Ų | 168 | 134.7 Ų | 134.7 | 86% | 0.862 | 79% | 0.787 | S | S | * | * | | | trans | 74.1 | 125.9 | 164.7 | -62 | 156.3 | 0 | 0 | 0 | 117.8 | | |
| 122 | A | 47.5 | Very low | 45.5 | Very low | 85 Ų | 85 | 137.2 Ų | 137.2 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | | | trans | -148.6 | 149.5 | 148.3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 123 | T | 46.3 | Very low | 45.3 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 72.9 | 128.3 | 172.9 | -44.3 | 0 | 0 | 0 | 0 | 116.5 | | |
| 124 | V | 51.2 | Low | 45.5 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 79% | 0.788 | 79% | 0.787 | S | S | * | * | | | cis | -157.3 | 149.4 | -29.2 | 116.6 | 0 | 0 | 0 | 0 | 107.1 | | |
| 125 | P | 43.3 | Very low | 45.7 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | | | trans | -100.3 | 147.9 | -170.7 | 36.9 | -34.2 | 0 | 0 | 0 | 115.6 | | |
| 126 | A | 47.8 | Very low | 45.6 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | -159.3 | 153.2 | 152.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 127 | M | 61.4 | Low | 45.9 | Very low | 181 Ų | 181 | 136.3 Ų | 136.3 | 89% | 0.892 | 79% | 0.793 | S | S | * | * | | | trans | -120.6 | -169.9 | -178.9 | -49 | -175.7 | -74.4 | 0 | 0 | 109.1 | | |
| 128 | P | 43.2 | Very low | 46.3 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | cis | -133.5 | 153.7 | -11.6 | 29.9 | -8 | 0 | 0 | 0 | 116.7 | | |
| 129 | Q | 40.8 | Very low | 46.3 | Very low | 183 Ų | 183 | 141.8 Ų | 141.8 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | | | trans | 17.5 | 124.4 | 133.4 | 175.8 | -173.7 | -28.2 | 0 | 0 | 120.9 | | |
| 130 | E | 41.3 | Very low | 46.4 | Very low | 189 Ų | 189 | 145.7 Ų | 145.7 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | | -153.7 | 165.5 | 128.8 | -126.2 | -175.2 | 153.3 | 0 | 0 | 113.4 | | |
| 131 | K | 35.5 | Very low | 46.3 | Very low | 188 Ų | 188 | 149.8 Ų | 149.8 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | | | trans | -122.2 | 145.9 | -177.7 | -67.8 | 176.1 | 178.1 | 174.4 | 0 | 110.6 | | |
| 132 | L | 43.2 | Very low | 46.4 | Very low | 171 Ų | 171 | 151.6 Ų | 151.6 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | | | trans | 177.2 | 119 | 146.1 | -93.2 | 159.8 | 0 | 0 | 0 | 105.2 | | |
| 133 | A | 39.3 | Very low | 46.5 | Very low | 79 Ų | 79 | 156.1 Ų | 156.1 | 65% | 0.653 | 82% | 0.82 | S | S | * | * | | | cis | 105.8 | 124.5 | 41 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 134 | S | 53.6 | Low | 46.8 | Very low | 121 Ų | 121 | 158.6 Ų | 158.6 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | | | trans | 66.5 | 163.7 | 176.4 | 84.3 | 0 | 0 | 0 | 0 | 116.7 | | |
| 135 | S | 44.1 | Very low | 46.5 | Very low | 115 Ų | 115 | 161.1 Ų | 161.1 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | | | cis | -165.1 | 161.6 | -43.8 | -98.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 136 | P | 43.2 | Very low | 46.6 | Very low | 122 Ų | 122 | 162.3 Ų | 162.3 | 79% | 0.792 | 82% | 0.824 | S | S | * | * | | | trans | -104 | 151.9 | -152.8 | 37.2 | -34.4 | 0 | 0 | 0 | 116.3 | | |
| 137 | K | 50.5 | Low | 46.6 | Very low | 195 Ų | 195 | 161.4 Ų | 161.4 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | | | trans | -155.8 | 157.3 | 156.2 | -118.3 | 177.7 | -177.6 | 174.7 | 0 | 114.3 | | |
| 138 | D | 52.2 | Low | 45.9 | Very low | 111 Ų | 111 | 162 Ų | 162 | 59% | 0.594 | 81% | 0.814 | S | S | * | * | | | trans | 49.7 | 95.3 | 163.9 | -77.1 | -82.6 | 0 | 0 | 0 | 123.4 | | |
| 139 | R | 48.2 | Very low | 45.9 | Very low | 229 Ų | 229 | 162.5 Ų | 162.5 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | | | | 55 | 128.9 | 114.1 | -66.1 | -177 | 179.1 | -177.6 | -3 | 120.7 | | |
| 140 | K | 43.5 | Very low | 46 | Very low | 210 Ų | 210 | 161.5 Ų | 161.5 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | | | trans | 76.5 | 76.6 | 139.3 | -164.6 | -170.1 | 178.1 | -176.4 | 0 | 118 | | |
| 141 | K | 49.8 | Very low | 46.5 | Very low | 198 Ų | 198 | 157.5 Ų | 157.5 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | | | trans | -139.8 | 104.7 | 148.6 | -163.5 | 173.4 | -177.1 | -178.1 | 0 | 110.7 | | |
| 142 | K | 48.6 | Very low | 47.3 | Very low | 206 Ų | 206 | 152.7 Ų | 152.7 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | | | trans | -97.9 | 112.8 | 172.5 | -179.1 | 170.5 | -177.7 | 169.7 | 0 | 108.6 | | |
| 143 | E | 50.2 | Low | 47.7 | Very low | 179 Ų | 179 | 151.3 Ų | 151.3 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | | | trans | -68.6 | 150.4 | 179.4 | -62.8 | 177.4 | 100.7 | 0 | 0 | 111.9 | | |
| 144 | K | 51.8 | Low | 48.2 | Very low | 189 Ų | 189 | 152.6 Ų | 152.6 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | trans | -151.7 | 115.4 | 177.5 | -162.9 | -179.5 | -176.7 | -171.8 | 0 | 111.7 | | |
| 145 | K | 45.9 | Very low | 47.9 | Very low | 184 Ų | 184 | 151.7 Ų | 151.7 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | | | trans | 59.3 | 87.8 | 156.5 | -63.8 | -80.5 | -177 | 175.5 | 0 | 116.8 | | |
| 146 | V | 44.9 | Very low | 48.2 | Very low | 144 Ų | 144 | 153.9 Ų | 153.9 | 87% | 0.873 | 79% | 0.794 | S | S | * | * | | | trans | -99.8 | 147.3 | 148.4 | 171.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 147 | A | 48.5 | Very low | 48.5 | Very low | 82 Ų | 82 | 155.1 Ų | 155.1 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | | | trans | 37.9 | 86.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | V149 | A147-V149 PolarHBondContact O-N 2.92Š|
| 148 | K | 45.4 | Very low | 48.7 | Very low | 193 Ų | 193 | 153 Ų | 153 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | | | trans | -81.1 | 96 | 147.2 | -179.1 | 174.8 | 175.2 | -178.3 | 0 | 107.7 | | |
| 149 | V | 43.3 | Very low | 48.8 | Very low | 124 Ų | 124 | 152.5 Ų | 152.5 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 135.3 | 165.9 | 175.8 | 0 | 0 | 0 | 0 | 108.4 | A147 | A147-V149 PolarHBondContact O-N 2.92Š|
| 150 | E | 43.8 | Very low | 49 | Very low | 162 Ų | 162 | 149.8 Ų | 149.8 | 76% | 0.757 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 122.2 | 177.3 | -173.8 | 178.1 | -154.4 | 0 | 0 | 110.6 | | |
| 151 | P | 51.9 | Low | 49.6 | Very low | 106 Ų | 106 | 148.4 Ų | 148.4 | 69% | 0.688 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 118.7 | 166 | 30.7 | -30.5 | 0 | 0 | 0 | 109.4 | V153 | P151-V153 PolarHBondContact O-N 3.16Å; P151-V153 VanDerWaalsContact O-N 3.12Å |
| 152 | A | 51.4 | Low | 49.4 | Very low | 87 Ų | 87 | 144.7 Ų | 144.7 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | | | trans | -66.1 | 108.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S154 | A152-S154 PolarHBondContact O-N 3.22Å; A152-S154 VanDerWaalsContact O-N 3.15Å |
| 153 | V | 52.1 | Low | 49.2 | Very low | 142 Ų | 142 | 142 Ų | 142 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | | | trans | -84.3 | 81.4 | 168.8 | -171.4 | 0 | 0 | 0 | 0 | 108.4 | P151 | P151-V153 PolarHBondContact O-N 3.16Å; P151-V153 VanDerWaalsContact O-N 3.12Å |
| 154 | S | 49.5 | Very low | 48.7 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | -144.1 | 71.4 | -171.7 | -71.4 | 0 | 0 | 0 | 0 | 113.5 | A152 | A152-S154 PolarHBondContact O-N 3.22Å; A152-S154 VanDerWaalsContact O-N 3.15Å |
| 155 | S | 47.2 | Very low | 48.6 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -159.3 | 132.1 | 160.8 | -122.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 156 | I | 51.3 | Low | 48.7 | Very low | 160 Ų | 160 | 135.2 Ų | 135.2 | 82% | 0.821 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 58.5 | 60.6 | 152.9 | -40.5 | 159.4 | 0 | 0 | 0 | 117.1 | | |
| 157 | V | 48.3 | Very low | 48.7 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 90% | 0.903 | 78% | 0.777 | S | S | * | * | | | trans | -141 | 46.3 | 152.7 | -158 | 0 | 0 | 0 | 0 | 112 | | |
| 158 | N | 54.3 | Low | 48.3 | Very low | 150 Ų | 150 | 133.6 Ų | 133.6 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -136.1 | 42.2 | 179.2 | -162.7 | 13.8 | 0 | 0 | 0 | 112.8 | | |
| 159 | S | 54.6 | Low | 48.5 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -144.7 | -5.3 | -176.9 | -164.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 160 | I | 53.9 | Low | 48.4 | Very low | 173 Ų | 173 | 132.5 Ų | 132.5 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -105.6 | 36.8 | 176.9 | -37.1 | -176.6 | 0 | 0 | 0 | 110.8 | | |
| 161 | Q | 54.2 | Low | 48 | Very low | 180 Ų | 180 | 133.2 Ų | 133.2 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -103.3 | 10.1 | 169.9 | -145.8 | -176.2 | 108.8 | 0 | 0 | 112 | | |
| 162 | V | 46.8 | Very low | 47.6 | Very low | 121 Ų | 121 | 133 Ų | 133 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | | | trans | -128.4 | 48.3 | -170.6 | -162.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 163 | L | 43.9 | Very low | 47.1 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | | | trans | -156.6 | 78.3 | 162.9 | -161.2 | 68.7 | 0 | 0 | 0 | 108.3 | | |
| 164 | A | 39.9 | Very low | 46.7 | Very low | 88 Ų | 88 | 133.8 Ų | 133.8 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | cis | 61.3 | 60.2 | 46.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 165 | S | 49.9 | Very low | 46.5 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | | | trans | -150.2 | 91.1 | 164 | -75.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 166 | K | 47.9 | Very low | 46.5 | Very low | 219 Ų | 219 | 141.3 Ų | 141.3 | 95% | 0.952 | 80% | 0.795 | S | S | * | * | | | trans | -96.6 | 108 | 165.5 | -81.3 | -171.1 | 174.3 | -174.4 | 0 | 109 | | |
| 167 | S | 44.5 | Very low | 46.1 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | | | trans | -160.9 | 116.9 | 166.4 | 50 | 0 | 0 | 0 | 0 | 106.9 | | |
| 168 | A | 39.6 | Very low | 46.1 | Very low | 91 Ų | 91 | 138 Ų | 138 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | | | | 75.4 | 158.2 | 61.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 169 | I | 49.4 | Very low | 45.8 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | | | trans | 79.9 | 90.6 | -161.1 | -50.9 | 163.8 | 0 | 0 | 0 | 109.3 | | |
| 170 | L | 42.7 | Very low | 45.5 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 72% | 0.723 | 80% | 0.796 | S | S | * | * | | | | 67.7 | 111.9 | 88 | -66.9 | 171.4 | 0 | 0 | 0 | 111.3 | | |
| 171 | E | 34.8 | Very low | 45 | Very low | 176 Ų | 176 | 137.6 Ų | 137.6 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | | 64.3 | 88.9 | 80.5 | -165.5 | -170.5 | 145.5 | 0 | 0 | 111.6 | | |
| 172 | A | 43.6 | Very low | 44.8 | Very low | 101 Ų | 101 | 135.4 Ų | 135.4 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | | | trans | -140.1 | 132 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 173 | T | 41 | Very low | 45.5 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -94.1 | 157 | -169.1 | 37.5 | 0 | 0 | 0 | 0 | 112.9 | K175 | T173-K175 PolarHBondContact O-N 3.25Š|
| 174 | P | 44.2 | Very low | 46.2 | Very low | 118 Ų | 118 | 134 Ų | 134 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | | | trans | -78.2 | 120.9 | -178.6 | 30.4 | -34.1 | 0 | 0 | 0 | 112 | | |
| 175 | K | 45.7 | Very low | 46.2 | Very low | 200 Ų | 200 | 137.1 Ų | 137.1 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | | | trans | -174.7 | 115.2 | 155.5 | -104.1 | 152.8 | -174.6 | 178.8 | 0 | 110.9 | T173 | T173-K175 PolarHBondContact O-N 3.25Š|
| 176 | E | 46 | Very low | 45.9 | Very low | 166 Ų | 166 | 135.3 Ų | 135.3 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | trans | -133.1 | 82 | 165.3 | -98.5 | -77.5 | 70.8 | 0 | 0 | 108.1 | P178 | E176-P178 WeakPolarHBondContact OE1-CG 3.44Š|
| 177 | V | 42.9 | Very low | 45.5 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | | | trans | -140.9 | 85.9 | 165.5 | -176.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 178 | P | 48.2 | Very low | 45.6 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 63% | 0.63 | 79% | 0.793 | S | S | * | * | | | trans | -124.9 | 86.6 | -176.3 | 38.1 | -21.9 | 0 | 0 | 0 | 113.1 | E176 | E176-P178 WeakPolarHBondContact OE1-CG 3.44Š|
| 179 | M | 49 | Very low | 45.7 | Very low | 183 Ų | 183 | 134.5 Ų | 134.5 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | | | | -163.6 | 136.7 | 129.4 | -115.6 | -178.7 | 180 | 0 | 0 | 113.8 | | |
| 180 | V | 48 | Very low | 45.7 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | | | trans | -98.8 | 116.4 | 165.1 | 172.7 | 0 | 0 | 0 | 0 | 107.3 | | |
| 181 | A | 42.8 | Very low | 45.8 | Very low | 92 Ų | 92 | 131.2 Ų | 131.2 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | | | trans | -148.7 | 120.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 182 | V | 49.9 | Very low | 46.3 | Very low | 134 Ų | 134 | 128.7 Ų | 128.7 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | | | trans | -76.4 | 144.7 | -172.1 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 183 | P | 61.1 | Low | 46.5 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | | | trans | -85.4 | 173.2 | -177.7 | 36.3 | -39.2 | 0 | 0 | 0 | 113.6 | | |
| 184 | P | 58.5 | Low | 46.7 | Very low | 129 Ų | 129 | 128.4 Ų | 128.4 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | | | trans | -121.6 | 166.2 | 147.1 | 37.1 | -28.2 | 0 | 0 | 0 | 113.8 | | |
| 185 | V | 40.1 | Very low | 47 | Very low | 154 Ų | 154 | 127.5 Ų | 127.5 | 93% | 0.933 | 79% | 0.792 | S | S | * | * | | | trans | -98.2 | 144.4 | -169 | 168.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 186 | G | 43.4 | Very low | 47 | Very low | 65 Ų | 65 | 123 Ų | 123 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | | | trans | 125.3 | 163 | 148.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 187 | S | 41.5 | Very low | 47.1 | Very low | 102 Ų | 102 | 124.1 Ų | 124.1 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | | | cis | -174.9 | 167.1 | -18.2 | 54.7 | 0 | 0 | 0 | 0 | 109 | | |
| 188 | K | 44.8 | Very low | 47.2 | Very low | 193 Ų | 193 | 121.7 Ų | 121.7 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | | | trans | 76.8 | 118.3 | 177.5 | -49.9 | 171.8 | -175.1 | -179.8 | 0 | 113 | | |
| 189 | A | 43.1 | Very low | 47.1 | Very low | 99 Ų | 99 | 126.6 Ų | 126.6 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | | 69 | 123.1 | 60.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 190 | S | 48.5 | Very low | 46.9 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | cis | -170.2 | 178.2 | 45.2 | 52.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 191 | S | 45.9 | Very low | 47 | Very low | 114 Ų | 114 | 125.8 Ų | 125.8 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | cis | -157 | 170.6 | -1.3 | -123.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 192 | P | 45.1 | Very low | 47 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | | | trans | -113.9 | 154.3 | -162 | 40.2 | -32.9 | 0 | 0 | 0 | 117.8 | | |
| 193 | A | 47.2 | Very low | 46.6 | Very low | 95 Ų | 95 | 125.9 Ų | 125.9 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | -167.3 | 143.5 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 194 | T | 45.4 | Very low | 45.6 | Very low | 128 Ų | 128 | 125.5 Ų | 125.5 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | cis | -152 | 157.8 | -1.4 | -21 | 0 | 0 | 0 | 0 | 110.4 | | |
| 195 | S | 49.8 | Very low | 45 | Very low | 98 Ų | 98 | 124.1 Ų | 124.1 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | | | trans | 13.6 | 148.8 | 149.5 | 59.1 | 0 | 0 | 0 | 0 | 122.7 | | |
| 196 | S | 45.4 | Very low | 45.2 | Very low | 105 Ų | 105 | 123.7 Ų | 123.7 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | | | cis | -177.7 | 163.7 | -5.6 | -93.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 197 | Q | 47.9 | Very low | 45.2 | Very low | 190 Ų | 190 | 129.3 Ų | 129.3 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | | | trans | 64.9 | 119.1 | 171.3 | -55.4 | -174.2 | 10.4 | 0 | 0 | 116.6 | | |
| 198 | A | 45.8 | Very low | 45.4 | Very low | 92 Ų | 92 | 128.3 Ų | 128.3 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | | | cis | 100.8 | 128.4 | 8.5 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 199 | K | 45 | Very low | 45.2 | Very low | 200 Ų | 200 | 129 Ų | 129 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | | | trans | 105.6 | 131 | -174 | -68.7 | 166.9 | 179 | 170.7 | 0 | 111.9 | | |
| 200 | K | 46.5 | Very low | 45.2 | Very low | 185 Ų | 185 | 133.1 Ų | 133.1 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | cis | -156.1 | 144.2 | 0.8 | -111.4 | -177.9 | 176.5 | -168.9 | 0 | 106.2 | | |
| 201 | V | 49.3 | Very low | 45 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 74% | 0.739 | 79% | 0.791 | S | S | * | * | | | cis | 64.4 | 117 | 40.9 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 202 | D | 43.6 | Very low | 44.7 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | cis | -149.6 | 151.2 | 2.5 | -121.2 | -153 | 0 | 0 | 0 | 107.1 | | |
| 203 | A | 39.7 | Very low | 44.7 | Very low | 84 Ų | 84 | 136.4 Ų | 136.4 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | | | | 81.5 | 143 | 66.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 204 | A | 40.9 | Very low | 44.5 | Very low | 102 Ų | 102 | 136 Ų | 136 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | 64.4 | 104.5 | 156.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 205 | A | 46.6 | Very low | 44.5 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | 172.8 | 111.8 | 131.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 206 | N | 44.8 | Very low | 44.2 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | | | cis | 82.8 | 132 | 36.8 | -157.1 | 6.4 | 0 | 0 | 0 | 114.9 | | |
| 207 | Q | 42.4 | Very low | 44.1 | Very low | 182 Ų | 182 | 140.9 Ų | 140.9 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | | | trans | 75.6 | 122.6 | 175.2 | -49.3 | -160.1 | 22.9 | 0 | 0 | 118.6 | | |
| 208 | G | 46.1 | Very low | 43.8 | Very low | 82 Ų | 82 | 134.7 Ų | 134.7 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | | | trans | -175.5 | 56.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 209 | K | 40.2 | Very low | 43.7 | Very low | 207 Ų | 207 | 139.5 Ų | 139.5 | 90% | 0.9 | 80% | 0.799 | S | S | * | * | | | trans | -96.9 | 124.6 | 178.4 | -72.8 | -176.5 | 177.6 | -179.8 | 0 | 111.5 | | |
| 210 | K | 43.6 | Very low | 43.5 | Very low | 185 Ų | 185 | 139.3 Ų | 139.3 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | 171.7 | 135.3 | 145.7 | -93.8 | -171.7 | 173.9 | -167.5 | 0 | 106.4 | | |
| 211 | S | 42.9 | Very low | 43.3 | Very low | 94 Ų | 94 | 134.9 Ų | 134.9 | 66% | 0.657 | 80% | 0.796 | S | S | * | * | | | cis | 90.2 | 93.4 | 23.5 | 84.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 212 | E | 41 | Very low | 42.9 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | | | trans | 179.6 | 150 | 157.8 | -102.6 | 161.7 | 63.7 | 0 | 0 | 107.2 | | |
| 213 | M | 44.8 | Very low | 43 | Very low | 161 Ų | 161 | 135.1 Ų | 135.1 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | | | cis | -154.9 | 152.3 | -24.3 | -160 | 98.4 | 84 | 0 | 0 | 108 | | |
| 214 | A | 42.5 | Very low | 43.1 | Very low | 86 Ų | 86 | 136.7 Ų | 136.7 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | | | trans | -99.9 | 157.9 | 157 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 215 | P | 46.3 | Very low | 43.5 | Very low | 133 Ų | 133 | 139.1 Ų | 139.1 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | | -146.4 | 178.3 | 102.9 | 38.1 | -22.6 | 0 | 0 | 0 | 114.4 | | |
| 216 | A | 42 | Very low | 43.2 | Very low | 96 Ų | 96 | 139.3 Ų | 139.3 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | | | trans | -111.2 | 143.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 217 | Q | 45.2 | Very low | 43.1 | Very low | 204 Ų | 204 | 139 Ų | 139 | 95% | 0.953 | 78% | 0.783 | S | S | * | * | | | trans | -174.2 | 153.9 | 156.3 | -102.3 | 167.7 | 6 | 0 | 0 | 106.4 | | |
| 218 | G | 40.8 | Very low | 43.1 | Very low | 60 Ų | 60 | 138.3 Ų | 138.3 | 62% | 0.619 | 78% | 0.78 | S | S | * | * | | | cis | 152.6 | 163.7 | 0.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 219 | Q | 43.6 | Very low | 42.8 | Very low | 194 Ų | 194 | 138.4 Ų | 138.4 | 91% | 0.907 | 77% | 0.773 | S | S | * | * | | | trans | 73.4 | 162.3 | 174.4 | -50.2 | -173.5 | 19.6 | 0 | 0 | 117.6 | | |
| 220 | K | 40.5 | Very low | 43.1 | Very low | 195 Ų | 195 | 133.6 Ų | 133.6 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | | | | -170.4 | 151.3 | -54.5 | -124 | -176.2 | 179.8 | -175.1 | 0 | 112.7 | | |
| 221 | A | 41.9 | Very low | 42.9 | Very low | 93 Ų | 93 | 133 Ų | 133 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | trans | 71.3 | 176.3 | 143 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 222 | S | 42.4 | Very low | 42.8 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | | | trans | 76.4 | 131.5 | -172.9 | -148.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 223 | M | 45.8 | Very low | 42.9 | Very low | 157 Ų | 157 | 134 Ų | 134 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | | | cis | -149.4 | 125.7 | 2.4 | -159.5 | 59.2 | 165.2 | 0 | 0 | 107.6 | | |
| 224 | V | 41.3 | Very low | 43 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 71% | 0.709 | 75% | 0.749 | S | S | * | * | | | | 37.5 | 124.3 | 98.8 | -169.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 225 | Q | 48 | Very low | 43.3 | Very low | 154 Ų | 154 | 131.7 Ų | 131.7 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | | | cis | -152 | 154.7 | 46.9 | -149.8 | 165.6 | -22.3 | 0 | 0 | 108.4 | | |
| 226 | S | 42 | Very low | 43.5 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | | | cis | 88.9 | 148.7 | 23.7 | -155 | 0 | 0 | 0 | 0 | 116.5 | | |
| 227 | Q | 42.8 | Very low | 43.6 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 65% | 0.654 | 74% | 0.744 | S | S | * | * | | | trans | 67.5 | 146.1 | 179.9 | -56.5 | -174.1 | -56.9 | 0 | 0 | 116.8 | | |
| 228 | E | 41 | Very low | 43.7 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | | | cis | -155.1 | -179.2 | -19.8 | -123.5 | 165.3 | 80.4 | 0 | 0 | 110.5 | | |
| 229 | A | 40.4 | Very low | 43.9 | Very low | 84 Ų | 84 | 139.5 Ų | 139.5 | 69% | 0.694 | 75% | 0.75 | S | S | * | * | | | trans | -127.2 | -156.1 | -179 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 230 | P | 46.5 | Very low | 44 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | | | cis | -123.5 | -154.7 | -34.2 | 27.7 | -4.4 | 0 | 0 | 0 | 110.5 | | |
| 231 | K | 40.4 | Very low | 44.2 | Very low | 173 Ų | 173 | 129.4 Ų | 129.4 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | | | trans | 73.5 | 158.3 | 165.1 | -57.3 | 165.2 | 176.7 | -179.6 | 0 | 114.6 | | |
| 232 | Q | 40.2 | Very low | 44.4 | Very low | 146 Ų | 146 | 130.7 Ų | 130.7 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | | | cis | -163.1 | 165.7 | -13.5 | -112.2 | 171 | -92.5 | 0 | 0 | 106.6 | | |
| 233 | D | 42.6 | Very low | 44.9 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | | | cis | -156 | -176.1 | -0.5 | -143.8 | -29.4 | 0 | 0 | 0 | 111.4 | | |
| 234 | A | 46.5 | Very low | 45 | Very low | 71 Ų | 71 | 140 Ų | 140 | 59% | 0.587 | 76% | 0.755 | S | S | * | * | | | trans | -107 | 178.8 | 156 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 235 | P | 49.3 | Very low | 45.5 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | | | cis | -128.1 | -135.8 | 10.2 | 28.9 | -0.4 | 0 | 0 | 0 | 110.7 | | |
| 236 | A | 51.4 | Low | 45.9 | Very low | 74 Ų | 74 | 140.8 Ų | 140.8 | 61% | 0.612 | 77% | 0.766 | S | S | * | * | | | cis | -162.6 | 146.5 | 5.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 237 | K | 42.9 | Very low | 46.4 | Very low | 194 Ų | 194 | 144.8 Ų | 144.8 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | | | trans | 39 | 114.2 | 136.3 | -58.9 | 173.8 | -177.9 | 174.8 | 0 | 120.2 | | |
| 238 | K | 48.1 | Very low | 47.9 | Very low | 198 Ų | 198 | 144.1 Ų | 144.1 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | | | | -179 | 136.3 | 117.7 | -92 | 150.3 | -172.8 | 178.3 | 0 | 108.2 | | |
| 239 | K | 44.5 | Very low | 49.1 | Very low | 191 Ų | 191 | 142.3 Ų | 142.3 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | | | | 70.1 | 122.6 | 54.1 | -170 | -173.9 | -177.3 | -174.2 | 0 | 111 | | |
| 240 | S | 44.5 | Very low | 50 | Low | 107 Ų | 107 | 148 Ų | 148 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | | | cis | -174 | 162.6 | -6 | 48.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 241 | G | 46.2 | Very low | 50.1 | Low | 70 Ų | 70 | 150.2 Ų | 150.2 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | | | trans | 111.9 | 131.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 242 | S | 46.1 | Very low | 50.6 | Low | 120 Ų | 120 | 149 Ų | 149 | 84% | 0.839 | 83% | 0.825 | S | S | * | * | | | cis | 67.9 | 95.7 | 24.5 | -162.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 243 | R | 53.4 | Low | 51.2 | Low | 259 Ų | 259 | 149.2 Ų | 149.2 | 98% | 0.977 | 83% | 0.833 | S | S | * | * | | | trans | -156.1 | 139.8 | 143.8 | -107.5 | 165 | -151.8 | -121.4 | 1.9 | 111 | | |
| 244 | K | 47.4 | Very low | 51.7 | Low | 207 Ų | 207 | 150.1 Ų | 150.1 | 90% | 0.9 | 84% | 0.839 | S | S | * | * | | | trans | -100.7 | 126.6 | -168.5 | 164.7 | -170.6 | 177 | -178.6 | 0 | 111 | | |
| 245 | K | 52 | Low | 52.1 | Low | 216 Ų | 216 | 155 Ų | 155 | 94% | 0.939 | 86% | 0.855 | S | S | * | * | | | trans | 178 | 145.3 | 158.6 | -102.4 | -176.9 | 179.7 | -167.6 | 0 | 107.2 | | |
| 246 | G | 54.7 | Low | 52.2 | Low | 71 Ų | 71 | 156.9 Ų | 156.9 | 73% | 0.732 | 86% | 0.857 | S | S | * | * | | | cis | 170.4 | 146.2 | -6.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 247 | E | 53.9 | Low | 52.3 | Low | 185 Ų | 185 | 162.8 Ų | 162.8 | 86% | 0.864 | 88% | 0.875 | S | S | * | * | | | trans | -71 | 146.4 | 179.8 | -72.6 | 168.4 | 92.3 | 0 | 0 | 112.7 | | |
| 248 | P | 73.8 | Confident | 53 | Low | 126 Ų | 126 | 160.4 Ų | 160.4 | 82% | 0.818 | 88% | 0.877 | S | S | * | * | | | trans | -88.3 | 130.5 | 155.3 | 34.1 | -27.3 | 0 | 0 | 0 | 110.2 | | |
| 249 | V | 65.3 | Low | 53.4 | Low | 131 Ų | 131 | 157.3 Ų | 157.3 | 79% | 0.794 | 88% | 0.879 | S | S | * | * | | | trans | -104.2 | 129.8 | 169.4 | 173.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 250 | C | 59.3 | Low | 54.2 | Low | 204 Ų | 204 | 154.2 Ų | 154.2 | 100% | 1.378 | 88% | 0.883 | S | S | * | * | | | trans | -143.7 | 0 | 157.2 | -79.5 | 0 | 0 | 0 | 0 | 107.4 | | |