| 1 | M | 61.4 | Low | 73.6 | Confident | 216 Ų | 216 | 122.3 Ų | 122.3 | 100% | 1.064 | 63% | 0.631 | S | S | * | * | | | | 0 | -20.1 | 0 | -68.8 | -147 | 165.9 | 0 | 0 | 115.9 | L3 | M1-L3 PolarHBondContact O-N 2.86Š|
| 2 | R | 61.9 | Low | 74.8 | Confident | 228 Ų | 228 | 120.3 Ų | 120.3 | 86% | 0.86 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.8 | -30.9 | -177.6 | -70.1 | -179.7 | 173.9 | 150.3 | -1.7 | 115.5 | V4 L5 V6 | R2-V4 PolarHBondContact O-N 3.35Å; R2-L5 PolarHBondContact O-N 3.42Å; R2-V6 PolarHBondContact O-N 2.96Å |
| 3 | L | 63 | Low | 76 | Confident | 136 Ų | 136 | 120.8 Ų | 120.8 | 71% | 0.712 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.4 | -34.5 | -176.6 | -160.6 | 77.5 | 0 | 0 | 0 | 113 | M1 V6 N7 | M1-L3 PolarHBondContact O-N 2.86Å; L3-V6 PolarHBondContact O-N 2.76Å; L3-N7 PolarHBondContact O-N 3.05Å |
| 4 | V | 67.7 | Low | 76.8 | Confident | 99 Ų | 99 | 125.5 Ų | 125.5 | 60% | 0.6 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.1 | -43.4 | -179.4 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | R2 V6 N7 V8 | R2-V4 PolarHBondContact O-N 3.35Å; V4-V6 VanDerWaalsContact C-N 3.34Å; V4-V6 PolarHBondContact O-N 2.94Å; V4-N7 PolarHBondContact O-N 3.43Å; V4-V8 HydrophobicContact CG1-CG2 4.19Å; V4-V8 WeakPolarHBondContact O-CB 2.98Å; V4-V8 VanDerWaalsContact O-CG2 3.26Å; V4-V8 WeakPolarHBondContact O-CG2 3.45Å; V4-V8 PolarHBondContact O-N 2.76Å |
| 5 | L | 69.3 | Low | 77.6 | Confident | 135 Ų | 135 | 127.9 Ų | 127.9 | 71% | 0.707 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -60.5 | -41 | 177.4 | -100.1 | 94.2 | 0 | 0 | 0 | 112.6 | R2 G9 | R2-L5 PolarHBondContact O-N 3.42Å; L5-G9 PolarHBondContact O-N 3.35Å |
| 6 | V | 73.4 | Confident | 78.3 | Confident | 79 Ų | 79 | 124.5 Ų | 124.5 | 48% | 0.479 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.7 | -39.6 | -179.1 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | R2 L3 V4 K10 | R2-V6 PolarHBondContact O-N 2.96Å; L3-V6 PolarHBondContact O-N 2.76Å; V4-V6 VanDerWaalsContact C-N 3.34Å; V4-V6 PolarHBondContact O-N 2.94Å; V6-K10 HydrophobicContact CG1-CD 4.49Å; V6-K10 WeakPolarHBondContact O-CG 3.45Å; V6-K10 PolarHBondContact O-N 2.87Å; V6-K10 VanDerWaalsContact O-N 3.11Å |
| 7 | N | 74.9 | Confident | 78.8 | Confident | 96 Ų | 96 | 126.2 Ų | 126.2 | 51% | 0.513 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -71.7 | -41.1 | 179.2 | -74 | -16.9 | 0 | 0 | 0 | 112.1 | L3 V4 K10 L11 | L3-N7 PolarHBondContact O-N 3.05Å; V4-N7 PolarHBondContact O-N 3.43Å; N7-K10 PolarHBondContact O-N 3.1Å; N7-L11 PolarHBondContact O-N 2.86Å; N7-L11 VanDerWaalsContact O-N 3.11Å |
| 8 | V | 81.2 | Confident | 79 | Confident | 72 Ų | 72 | 122.4 Ų | 122.4 | 44% | 0.436 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.5 | -43.6 | 175.1 | 174.2 | 0 | 0 | 0 | 0 | 110.6 | V4 K10 L11 I12 | V4-V8 HydrophobicContact CG1-CG2 4.19Å; V4-V8 WeakPolarHBondContact O-CB 2.98Å; V4-V8 VanDerWaalsContact O-CG2 3.26Å; V4-V8 WeakPolarHBondContact O-CG2 3.45Å; V4-V8 PolarHBondContact O-N 2.76Å; V8-K10 PolarHBondContact O-N 3.16Å; V8-L11 PolarHBondContact O-N 2.96Å; V8-I12 HydrophobicContact CG1-CD1 3.73Å; V8-I12 HydrophobicContact CG1-CG1 4.37Å; V8-I12 WeakPolarHBondContact O-CG1 3.3Å; V8-I12 PolarHBondContact O-N 3.37Å |
| 9 | G | 84.2 | Confident | 79.2 | Confident | 39 Ų | 39 | 119.5 Ų | 119.5 | 40% | 0.402 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -60.3 | -42 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L5 L11 I12 L13 | L5-G9 PolarHBondContact O-N 3.35Å; G9-L11 PolarHBondContact O-N 2.81Å; G9-I12 PolarHBondContact O-N 3.45Å; G9-L13 WeakPolarHBondContact O-CB 3.45Å; G9-L13 PolarHBondContact O-N 3.32Å |
| 10 | K | 85.2 | Confident | 79.3 | Confident | 124 Ų | 124 | 117.7 Ų | 117.7 | 54% | 0.539 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.6 | -38.3 | 175.2 | -75.7 | 177 | -179 | 176.8 | 0 | 112.6 | V6 N7 V8 R14 | V6-K10 HydrophobicContact CG1-CD 4.49Å; V6-K10 WeakPolarHBondContact O-CG 3.45Å; V6-K10 PolarHBondContact O-N 2.87Å; V6-K10 VanDerWaalsContact O-N 3.11Å; N7-K10 PolarHBondContact O-N 3.1Å; V8-K10 PolarHBondContact O-N 3.16Å; K10-R14 WeakPolarHBondContact O-CG 3.28Å; K10-R14 PolarHBondContact O-N 3.22Å; K10-R14 VanDerWaalsContact O-N 3.09Å |
| 11 | L | 87.1 | Confident | 79.2 | Confident | 121 Ų | 121 | 118 Ų | 118 | 63% | 0.634 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.9 | -46.5 | 177.9 | -173.8 | 67.1 | 0 | 0 | 0 | 111.1 | N7 V8 G9 L13 R14 Y15 | N7-L11 PolarHBondContact O-N 2.86Å; N7-L11 VanDerWaalsContact O-N 3.11Å; V8-L11 PolarHBondContact O-N 2.96Å; G9-L11 PolarHBondContact O-N 2.81Å; L11-L13 PolarHBondContact O-N 3.22Å; L11-R14 PolarHBondContact O-N 3.04Å; L11-Y15 PolarHBondContact O-N 3.08Å |
| 12 | I | 88.7 | Confident | 79.5 | Confident | 99 Ų | 99 | 116.9 Ų | 116.9 | 51% | 0.508 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.9 | -46.5 | 176.2 | -65.9 | 167.2 | 0 | 0 | 0 | 110.2 | V8 G9 R14 Y15 V16 | V8-I12 HydrophobicContact CG1-CD1 3.73Å; V8-I12 HydrophobicContact CG1-CG1 4.37Å; V8-I12 WeakPolarHBondContact O-CG1 3.3Å; V8-I12 PolarHBondContact O-N 3.37Å; G9-I12 PolarHBondContact O-N 3.45Å; I12-R14 VanDerWaalsContact C-N 3.33Å; I12-R14 PolarHBondContact O-N 3.33Å; I12-Y15 PolarHBondContact O-N 3.48Å; I12-Y15 VanDerWaalsContact O-N 3.13Å; I12-V16 HydrophobicContact CG2-CG2 4.19Å; I12-V16 WeakPolarHBondContact O-CG2 3.17Å; I12-V16 PolarHBondContact O-N 3.03Å |
| 13 | L | 89.4 | Confident | 79.6 | Confident | 126 Ų | 126 | 112 Ų | 112 | 66% | 0.66 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.1 | -40.1 | -179.6 | -172.5 | 66.1 | 0 | 0 | 0 | 112.4 | G9 L11 R17 | G9-L13 WeakPolarHBondContact O-CB 3.45Å; G9-L13 PolarHBondContact O-N 3.32Å; L11-L13 PolarHBondContact O-N 3.22Å; L13-R17 VanDerWaalsContact O-CB 3.28Å; L13-R17 WeakPolarHBondContact O-CB 3.36Å; L13-R17 PolarHBondContact O-N 3.15Å |
| 14 | R | 87.6 | Confident | 79.4 | Confident | 187 Ų | 187 | 108.6 Ų | 108.6 | 71% | 0.706 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.6 | -41.4 | 174.7 | -75.8 | 179.1 | 178.2 | 164.6 | -1.1 | 112 | K10 L11 I12 R17 A18 | K10-R14 WeakPolarHBondContact O-CG 3.28Å; K10-R14 PolarHBondContact O-N 3.22Å; K10-R14 VanDerWaalsContact O-N 3.09Å; L11-R14 PolarHBondContact O-N 3.04Å; I12-R14 VanDerWaalsContact C-N 3.33Å; I12-R14 PolarHBondContact O-N 3.33Å; R14-R17 PolarHBondContact O-N 2.92Å; R14-A18 WeakPolarHBondContact O-CB 3.34Å; R14-A18 PolarHBondContact O-N 2.87Å |
| 15 | Y | 88.8 | Confident | 78.9 | Confident | 161 Ų | 161 | 108.1 Ų | 108.1 | 63% | 0.631 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.7 | -46.7 | -180 | -170.6 | -106 | 0 | 0 | 0 | 111.9 | L11 I12 R17 A18 I19 | L11-Y15 PolarHBondContact O-N 3.08Å; I12-Y15 PolarHBondContact O-N 3.48Å; I12-Y15 VanDerWaalsContact O-N 3.13Å; Y15-R17 VanDerWaalsContact C-N 3.33Å; Y15-R17 PolarHBondContact O-N 3.47Å; Y15-A18 PolarHBondContact O-N 2.93Å; Y15-I19 HydrophobicContact CD1-CD1 3.63Å; Y15-I19 HydrophobicContact CE1-CD1 3.28Å; Y15-I19 HydrophobicContact CE1-CG1 4.31Å; Y15-I19 HydrophobicContact CG-CD1 4.45Å; Y15-I19 WeakPolarHBondContact O-CG1 3.11Å; Y15-I19 PolarHBondContact O-N 3.01Å |
| 16 | V | 89.1 | Confident | 78.3 | Confident | 74 Ų | 74 | 107 Ų | 107 | 45% | 0.448 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 175.3 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | I12 A18 I19 V20 | I12-V16 HydrophobicContact CG2-CG2 4.19Å; I12-V16 WeakPolarHBondContact O-CG2 3.17Å; I12-V16 PolarHBondContact O-N 3.03Å; V16-A18 VanDerWaalsContact C-N 3.31Å; V16-A18 PolarHBondContact O-N 3.21Å; V16-I19 PolarHBondContact O-N 3.44Å; V16-V20 HydrophobicContact CG1-CG2 4.34Å; V16-V20 WeakPolarHBondContact O-CG2 3.28Å; V16-V20 PolarHBondContact O-N 2.91Å |
| 17 | R | 86.5 | Confident | 77.2 | Confident | 154 Ų | 154 | 109.5 Ų | 109.5 | 58% | 0.581 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -61 | -40 | 178 | -171.5 | 169.4 | -173.1 | 171.6 | -4.3 | 112.1 | L13 R14 Y15 Y21 | L13-R17 VanDerWaalsContact O-CB 3.28Å; L13-R17 WeakPolarHBondContact O-CB 3.36Å; L13-R17 PolarHBondContact O-N 3.15Å; R14-R17 PolarHBondContact O-N 2.92Å; Y15-R17 VanDerWaalsContact C-N 3.33Å; Y15-R17 PolarHBondContact O-N 3.47Å; R17-Y21 HydrophobicContact CG-CD2 3.68Å; R17-Y21 HydrophobicContact CG-CE2 3.47Å; R17-Y21 VanDerWaalsContact CG-CE2 3.47Å; R17-Y21 VanDerWaalsContact NE-CE2 3.31Å; R17-Y21 PolarHBondContact NH2-OH 3.47Å; R17-Y21 VanDerWaalsContact NH2-OH 3.08Å; R17-Y21 WeakPolarHBondContact O-CB 3.44Å; R17-Y21 WeakPolarHBondContact O-CD2 3.36Å; R17-Y21 PolarHBondContact O-N 3.36Å |
| 18 | A | 81.9 | Confident | 76.2 | Confident | 57 Ų | 57 | 112.3 Ų | 112.3 | 47% | 0.471 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.1 | -38.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R14 Y15 V16 R22 | R14-A18 WeakPolarHBondContact O-CB 3.34Å; R14-A18 PolarHBondContact O-N 2.87Å; Y15-A18 PolarHBondContact O-N 2.93Å; V16-A18 VanDerWaalsContact C-N 3.31Å; V16-A18 PolarHBondContact O-N 3.21Å; A18-R22 WeakPolarHBondContact O-CB 3.47Å; A18-R22 PolarHBondContact O-N 2.89Å |
| 19 | I | 84.3 | Confident | 74.8 | Confident | 67 Ų | 67 | 113.9 Ų | 113.9 | 34% | 0.344 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.2 | -47.9 | 175.5 | -68.5 | 168.2 | 0 | 0 | 0 | 110.8 | Y15 V16 Y21 R22 Q23 | Y15-I19 HydrophobicContact CD1-CD1 3.63Å; Y15-I19 HydrophobicContact CE1-CD1 3.28Å; Y15-I19 HydrophobicContact CE1-CG1 4.31Å; Y15-I19 HydrophobicContact CG-CD1 4.45Å; Y15-I19 WeakPolarHBondContact O-CG1 3.11Å; Y15-I19 PolarHBondContact O-N 3.01Å; V16-I19 PolarHBondContact O-N 3.44Å; I19-Y21 VanDerWaalsContact C-N 3.33Å; I19-Y21 PolarHBondContact O-N 3.09Å; I19-R22 PolarHBondContact O-N 3.13Å; I19-R22 VanDerWaalsContact O-N 3.15Å; I19-Q23 HydrophobicContact CG2-CG 4.49Å; I19-Q23 WeakPolarHBondContact O-CG 3.38Å; I19-Q23 PolarHBondContact O-N 3.03Å |
| 20 | V | 81.2 | Confident | 73.3 | Confident | 83 Ų | 83 | 119.3 Ų | 119.3 | 50% | 0.503 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.6 | -44.3 | 178.9 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | V16 R22 Q23 S24 | V16-V20 HydrophobicContact CG1-CG2 4.34Å; V16-V20 WeakPolarHBondContact O-CG2 3.28Å; V16-V20 PolarHBondContact O-N 2.91Å; V20-R22 VanDerWaalsContact C-N 3.34Å; V20-R22 PolarHBondContact O-N 3Å; V20-Q23 PolarHBondContact O-N 3.32Å; V20-S24 WeakPolarHBondContact O-CB 3.48Å; V20-S24 PolarHBondContact O-N 3.11Å; V20-S24 PolarHBondContact O-OG 3.46Å; V20-S24 VanDerWaalsContact O-OG 3.1Å |
| 21 | Y | 76.1 | Confident | 71.8 | Confident | 124 Ų | 124 | 117.2 Ų | 117.2 | 49% | 0.486 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -58.8 | -47.1 | 173.8 | -86 | -60.8 | 0 | 0 | 0 | 111.4 | R17 I19 Q23 S24 T25 | R17-Y21 HydrophobicContact CG-CD2 3.68Å; R17-Y21 HydrophobicContact CG-CE2 3.47Å; R17-Y21 VanDerWaalsContact CG-CE2 3.47Å; R17-Y21 VanDerWaalsContact NE-CE2 3.31Å; R17-Y21 PolarHBondContact NH2-OH 3.47Å; R17-Y21 VanDerWaalsContact NH2-OH 3.08Å; R17-Y21 WeakPolarHBondContact O-CB 3.44Å; R17-Y21 WeakPolarHBondContact O-CD2 3.36Å; R17-Y21 PolarHBondContact O-N 3.36Å; I19-Y21 VanDerWaalsContact C-N 3.33Å; I19-Y21 PolarHBondContact O-N 3.09Å; Y21-Q23 VanDerWaalsContact C-N 3.31Å; Y21-Q23 PolarHBondContact O-N 3.21Å; Y21-S24 VanDerWaalsContact CA-OG 3.28Å; Y21-S24 WeakPolarHBondContact CA-OG 3.39Å; Y21-S24 CarbonylContact O-C 3.58Å; Y21-S24 PolarHBondContact O-N 2.88Å; Y21-S24 VanDerWaalsContact O-N 3.16Å; Y21-S24 PolarHBondContact O-OG 2.97Å; Y21-T25 WeakPolarHBondContact O-CB 3.32Å; Y21-T25 VanDerWaalsContact O-CG2 3.3Å; Y21-T25 WeakPolarHBondContact O-CG2 3.4Å; Y21-T25 PolarHBondContact O-N 3.38Å; Y21-T25 PolarHBondContact O-OG1 2.96Å |
| 22 | R | 67.2 | Low | 70.1 | Confident | 194 Ų | 194 | 117.3 Ų | 117.3 | 73% | 0.732 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.7 | -39.2 | -179.7 | -165.9 | 176.5 | -170.5 | -125.6 | 1.5 | 112.3 | A18 I19 V20 T25 V26 | A18-R22 WeakPolarHBondContact O-CB 3.47Å; A18-R22 PolarHBondContact O-N 2.89Å; I19-R22 PolarHBondContact O-N 3.13Å; I19-R22 VanDerWaalsContact O-N 3.15Å; V20-R22 VanDerWaalsContact C-N 3.34Å; V20-R22 PolarHBondContact O-N 3Å; R22-T25 WeakPolarHBondContact CA-OG1 3.33Å; R22-T25 PolarHBondContact O-OG1 3.18Å; R22-V26 WeakPolarHBondContact O-CG2 3.45Å; R22-V26 PolarHBondContact O-N 3.11Å |
| 23 | Q | 64.7 | Low | 68.4 | Low | 126 Ų | 126 | 121.1 Ų | 121.1 | 59% | 0.589 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.2 | -46.4 | 174 | -73.3 | -179.2 | -23.7 | 0 | 0 | 110.8 | I19 V20 Y21 T25 V26 D27 | I19-Q23 HydrophobicContact CG2-CG 4.49Å; I19-Q23 WeakPolarHBondContact O-CG 3.38Å; I19-Q23 PolarHBondContact O-N 3.03Å; V20-Q23 PolarHBondContact O-N 3.32Å; Y21-Q23 VanDerWaalsContact C-N 3.31Å; Y21-Q23 PolarHBondContact O-N 3.21Å; Q23-T25 VanDerWaalsContact C-N 3.3Å; Q23-T25 PolarHBondContact O-N 3.5Å; Q23-V26 PolarHBondContact O-N 3.41Å; Q23-D27 PolarHBondContact O-N 3.44Å |
| 24 | S | 59.5 | Low | 66.7 | Low | 63 Ų | 63 | 118.5 Ų | 118.5 | 44% | 0.441 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.3 | -27.6 | 178.1 | 62.6 | 0 | 0 | 0 | 0 | 114.1 | V20 Y21 | V20-S24 WeakPolarHBondContact O-CB 3.48Å; V20-S24 PolarHBondContact O-N 3.11Å; V20-S24 PolarHBondContact O-OG 3.46Å; V20-S24 VanDerWaalsContact O-OG 3.1Å; Y21-S24 VanDerWaalsContact CA-OG 3.28Å; Y21-S24 WeakPolarHBondContact CA-OG 3.39Å; Y21-S24 CarbonylContact O-C 3.58Å; Y21-S24 PolarHBondContact O-N 2.88Å; Y21-S24 VanDerWaalsContact O-N 3.16Å; Y21-S24 PolarHBondContact O-OG 2.97Å |
| 25 | T | 56.7 | Low | 65.1 | Low | 90 Ų | 90 | 112.5 Ų | 112.5 | 55% | 0.552 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -85.5 | -13.6 | 177.8 | 53.6 | 0 | 0 | 0 | 0 | 113.4 | Y21 R22 Q23 D27 | Y21-T25 WeakPolarHBondContact O-CB 3.32Å; Y21-T25 VanDerWaalsContact O-CG2 3.3Å; Y21-T25 WeakPolarHBondContact O-CG2 3.4Å; Y21-T25 PolarHBondContact O-N 3.38Å; Y21-T25 PolarHBondContact O-OG1 2.96Å; R22-T25 WeakPolarHBondContact CA-OG1 3.33Å; R22-T25 PolarHBondContact O-OG1 3.18Å; Q23-T25 VanDerWaalsContact C-N 3.3Å; Q23-T25 PolarHBondContact O-N 3.5Å; T25-D27 VanDerWaalsContact C-N 3.35Å |
| 26 | V | 55.5 | Low | 63.5 | Low | 111 Ų | 111 | 110.4 Ų | 110.4 | 67% | 0.673 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -83.4 | -21.4 | 172.1 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | R22 Q23 | R22-V26 WeakPolarHBondContact O-CG2 3.45Å; R22-V26 PolarHBondContact O-N 3.11Å; Q23-V26 PolarHBondContact O-N 3.41Å |
| 27 | D | 52.1 | Low | 61.8 | Low | 131 Ų | 131 | 115.4 Ų | 115.4 | 70% | 0.701 | 60% | 0.599 | S | S | * | * | | | trans | -100.2 | 37.1 | 174 | -65.9 | -37.5 | 0 | 0 | 0 | 112.5 | Q23 T25 P29 | Q23-D27 PolarHBondContact O-N 3.44Å; T25-D27 VanDerWaalsContact C-N 3.35Å; D27-P29 WeakPolarHBondContact O-CD 3.48Å |
| 28 | E | 52.4 | Low | 60.2 | Low | 155 Ų | 155 | 116.9 Ų | 116.9 | 72% | 0.724 | 61% | 0.612 | S | S | * | * | | | trans | -81.2 | 100.6 | 156 | -86.5 | -108 | 149.6 | 0 | 0 | 106.6 | E30 | E28-E30 PolarHBondContact O-N 3.49Š|
| 29 | P | 52.2 | Low | 58.8 | Low | 105 Ų | 105 | 118.4 Ų | 118.4 | 68% | 0.682 | 63% | 0.625 | S | S | * | * | | | trans | -61.1 | 116.7 | 163.4 | 28 | -32.1 | 0 | 0 | 0 | 105.2 | D27 | D27-P29 WeakPolarHBondContact O-CD 3.48Š|
| 30 | E | 53.8 | Low | 57.3 | Low | 154 Ų | 154 | 119.7 Ų | 119.7 | 72% | 0.72 | 64% | 0.64 | S | S | * | * | | | trans | -42.6 | 134.1 | 164.9 | -74.8 | -147.5 | 156.2 | 0 | 0 | 107.8 | E28 L32 | E28-E30 PolarHBondContact O-N 3.49Å; E30-L32 PolarHBondContact O-N 3.44Å |
| 31 | P | 52.2 | Low | 55.8 | Low | 80 Ų | 80 | 124.6 Ų | 124.6 | 52% | 0.519 | 66% | 0.655 | S | S | . | * | | | trans | -55 | 108.9 | 178.5 | 20.1 | -29.4 | 0 | 0 | 0 | 107.4 | E33 S34 | P31-E33 PolarHBondContact O-N 3.25Å; P31-S34 PolarHBondContact O-N 3.3Å; P31-S34 PolarHBondContact O-OG 3.48Å |
| 32 | L | 51.9 | Low | 54.6 | Low | 123 Ų | 123 | 125.1 Ų | 125.1 | 64% | 0.644 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | -10.5 | 175.4 | -87.3 | 152.8 | 0 | 0 | 0 | 111.9 | E30 S34 I36 | E30-L32 PolarHBondContact O-N 3.44Å; L32-S34 PolarHBondContact O-N 3.45Å; L32-I36 WeakPolarHBondContact O-CG1 3.26Å |
| 33 | E | 53.1 | Low | 53.9 | Low | 178 Ų | 178 | 125.2 Ų | 125.2 | 83% | 0.832 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -16 | 169.7 | -58.3 | -166.7 | 162 | 0 | 0 | 113.8 | P31 | P31-E33 PolarHBondContact O-N 3.25Š|
| 34 | S | 53.7 | Low | 53.3 | Low | 72 Ų | 72 | 127 Ų | 127 | 50% | 0.503 | 69% | 0.69 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.4 | -29.9 | 177 | -27.9 | 0 | 0 | 0 | 0 | 113.3 | P31 L32 | P31-S34 PolarHBondContact O-N 3.3Å; P31-S34 PolarHBondContact O-OG 3.48Å; L32-S34 PolarHBondContact O-N 3.45Å |
| 35 | A | 53.9 | Low | 52.7 | Low | 60 Ų | 60 | 129.4 Ų | 129.4 | 50% | 0.496 | 71% | 0.707 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.4 | -15.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 36 | I | 55.9 | Low | 52.6 | Low | 118 Ų | 118 | 132 Ų | 132 | 61% | 0.605 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -11 | -177.1 | -61.7 | 171 | 0 | 0 | 0 | 112.3 | L32 | L32-I36 WeakPolarHBondContact O-CG1 3.26Š|
| 37 | K | 53.2 | Low | 52.2 | Low | 179 Ų | 179 | 136 Ų | 136 | 78% | 0.778 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -7.6 | 174.4 | -98.3 | 178.4 | 179.1 | 171.7 | 0 | 115.1 | | |
| 38 | E | 52.9 | Low | 52 | Low | 185 Ų | 185 | 138.1 Ų | 138.1 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -106.8 | -3.8 | 178.4 | -70.8 | -167.5 | 159.6 | 0 | 0 | 114.3 | | |
| 39 | A | 53.4 | Low | 51.8 | Low | 88 Ų | 88 | 139.5 Ų | 139.5 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -107.5 | 1.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 40 | S | 51.4 | Low | 51.6 | Low | 95 Ų | 95 | 146.4 Ų | 146.4 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -101.5 | 23.4 | -173.7 | 64.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 41 | F | 49.8 | Very low | 51.7 | Low | 186 Ų | 186 | 145.1 Ų | 145.1 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -131.9 | 123.8 | 174.3 | -142.8 | -98.6 | 0 | 0 | 0 | 107.5 | | |
| 42 | T | 50.8 | Low | 51.5 | Low | 135 Ų | 135 | 145.1 Ų | 145.1 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 103.1 | 34.8 | -179.4 | 73.2 | 0 | 0 | 0 | 0 | 118 | | |
| 43 | K | 53.7 | Low | 51.4 | Low | 196 Ų | 196 | 145.8 Ų | 145.8 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -133.5 | 140.8 | 144 | -75.6 | -175.5 | -179.9 | 171.8 | 0 | 107.5 | | |
| 44 | D | 50.5 | Low | 51.6 | Low | 163 Ų | 163 | 142.7 Ų | 142.7 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 91.2 | 129 | -179.7 | -50 | -25.7 | 0 | 0 | 0 | 115.6 | | |
| 45 | S | 48.3 | Very low | 51.4 | Low | 113 Ų | 113 | 147.4 Ų | 147.4 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | 83.9 | 67.8 | 166.8 | -174.9 | 0 | 0 | 0 | 0 | 118.2 | | |
| 46 | T | 54 | Low | 51.1 | Low | 146 Ų | 146 | 147.9 Ų | 147.9 | 90% | 0.896 | 81% | 0.805 | S | S | * | * | | | trans | -158.8 | 51.6 | 133.5 | 51.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 47 | E | 47.5 | Very low | 51.2 | Low | 194 Ų | 194 | 148.4 Ų | 148.4 | 91% | 0.907 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -100.5 | 68.4 | 153.8 | -83.9 | -146.2 | 154.8 | 0 | 0 | 107.8 | | |
| 48 | E | 47.4 | Very low | 51.2 | Low | 176 Ų | 176 | 152 Ų | 152 | 82% | 0.822 | 83% | 0.825 | S | S | * | * | | | trans | -171.7 | 65.9 | 171.3 | -113.3 | 173.3 | -145 | 0 | 0 | 111.7 | | |
| 49 | H | 49 | Very low | 51.2 | Low | 183 Ų | 183 | 154.9 Ų | 154.9 | 85% | 0.847 | 83% | 0.827 | S | S | * | * | | | trans | -126.3 | 80.1 | 159.1 | -93.9 | 5.7 | 0 | 0 | 0 | 110 | V51 | H49-V51 VanDerWaalsContact C-N 3.27Å; H49-V51 PolarHBondContact O-N 2.96Å |
| 50 | R | 48 | Very low | 51 | Low | 250 Ų | 250 | 161.1 Ų | 161.1 | 94% | 0.943 | 84% | 0.838 | S | S | * | * | | | trans | -56.4 | 92.4 | 152.6 | -76.2 | 179.8 | 171.5 | 148.8 | -1.4 | 108.4 | A52 | R50-A52 PolarHBondContact O-N 3.39Š|
| 51 | V | 55.5 | Low | 50.7 | Low | 127 Ų | 127 | 160.6 Ų | 160.6 | 77% | 0.77 | 85% | 0.848 | S | S | * | * | | | trans | -90 | 93.6 | 161.7 | -176.8 | 0 | 0 | 0 | 0 | 107 | H49 | H49-V51 VanDerWaalsContact C-N 3.27Å; H49-V51 PolarHBondContact O-N 2.96Å |
| 52 | A | 47.4 | Very low | 50.2 | Low | 80 Ų | 80 | 155.5 Ų | 155.5 | 66% | 0.661 | 85% | 0.848 | S | S | * | * | | | trans | -67.7 | 154.8 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109 | R50 | R50-A52 PolarHBondContact O-N 3.39Š|
| 53 | V | 50.7 | Low | 49.9 | Very low | 138 Ų | 138 | 153.1 Ų | 153.1 | 84% | 0.836 | 85% | 0.85 | S | S | * | * | | | trans | 89.3 | 89.6 | 166.6 | -161.2 | 0 | 0 | 0 | 0 | 116.2 | | |
| 54 | S | 56.3 | Low | 49.5 | Very low | 113 Ų | 113 | 148.1 Ų | 148.1 | 79% | 0.79 | 85% | 0.845 | S | S | * | * | | | | -156.6 | 119.2 | 128.2 | 70.6 | 0 | 0 | 0 | 0 | 110.4 | G56 | S54-G56 PolarHBondContact O-N 3.46Š|
| 55 | N | 50.5 | Low | 49.6 | Very low | 171 Ų | 171 | 146.7 Ų | 146.7 | 91% | 0.914 | 84% | 0.842 | S | S | * | * | | | trans | -64.9 | 118.9 | 175.5 | -73 | -40.7 | 0 | 0 | 0 | 111.3 | | |
| 56 | G | 47.2 | Very low | 49.5 | Very low | 70 Ų | 70 | 147.3 Ų | 147.3 | 72% | 0.722 | 84% | 0.843 | S | S | * | * | | | trans | 104.7 | 133.4 | 142.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | S54 | S54-G56 PolarHBondContact O-N 3.46Š|
| 57 | P | 57 | Low | 49.7 | Very low | 128 Ų | 128 | 145.4 Ų | 145.4 | 83% | 0.831 | 84% | 0.842 | S | S | * | * | | | trans | -114.1 | 98.7 | 148.9 | 32.7 | -19.2 | 0 | 0 | 0 | 109.7 | | |
| 58 | R | 53.8 | Low | 49.7 | Very low | 255 Ų | 255 | 147.5 Ų | 147.5 | 96% | 0.962 | 84% | 0.842 | S | S | * | * | | | trans | -87 | 101.2 | 156.4 | -104.8 | -175 | 170.1 | -173.6 | -2 | 107.3 | | |
| 59 | R | 53.7 | Low | 49.9 | Very low | 245 Ų | 245 | 145.5 Ų | 145.5 | 93% | 0.925 | 83% | 0.833 | S | S | * | * | | | trans | -128.4 | 101.7 | 166.2 | -89.1 | -170.3 | 165.8 | -168.3 | -3.1 | 111 | | |
| 60 | K | 48.1 | Very low | 49.9 | Very low | 219 Ų | 219 | 146.2 Ų | 146.2 | 95% | 0.952 | 83% | 0.828 | S | S | * | * | | | trans | -158.4 | 111.2 | 138 | -117.7 | -172.6 | -178.7 | -177.2 | 0 | 107.6 | | |
| 61 | G | 44.7 | Very low | 49.8 | Very low | 84 Ų | 84 | 140.7 Ų | 140.7 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | S | Bend | trans | 143.7 | 103.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 62 | G | 41.2 | Very low | 49.3 | Very low | 80 Ų | 80 | 139.6 Ų | 139.6 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | | | trans | 105.9 | 122.1 | 153.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 63 | G | 42.8 | Very low | 49.3 | Very low | 84 Ų | 84 | 141.7 Ų | 141.7 | 87% | 0.866 | 83% | 0.831 | S | S | * | * | | | trans | -66.5 | -167.5 | 180 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 64 | A | 47 | Very low | 49.5 | Very low | 91 Ų | 91 | 144.2 Ų | 144.2 | 75% | 0.752 | 83% | 0.834 | S | S | * | * | | | cis | -163 | 167.8 | 6 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 65 | V | 52.5 | Low | 49.2 | Very low | 134 Ų | 134 | 149.2 Ų | 149.2 | 81% | 0.812 | 84% | 0.835 | S | S | * | * | | | trans | 88.3 | 119.1 | 157.7 | -161.8 | 0 | 0 | 0 | 0 | 117.9 | | |
| 66 | P | 46.2 | Very low | 49.2 | Very low | 125 Ų | 125 | 150 Ų | 150 | 81% | 0.812 | 83% | 0.83 | S | S | * | * | | | trans | -96.4 | 141.6 | 169.6 | 36.4 | -27.1 | 0 | 0 | 0 | 111 | | |
| 67 | A | 57.1 | Low | 49.4 | Very low | 106 Ų | 106 | 152.5 Ų | 152.5 | 88% | 0.876 | 83% | 0.832 | S | S | * | * | | | trans | -137.3 | 124.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 68 | R | 48.7 | Very low | 49.5 | Very low | 239 Ų | 239 | 153 Ų | 153 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | | | trans | -79.8 | 165.8 | 179 | -159.2 | 179.7 | -173.5 | -168.9 | 1.5 | 109.2 | | |
| 69 | E | 50.6 | Low | 49.4 | Very low | 133 Ų | 133 | 145.6 Ų | 145.6 | 62% | 0.621 | 82% | 0.817 | S | S | * | * | | | trans | 103.6 | 119.1 | 153.2 | -78 | -164.9 | 137.2 | 0 | 0 | 121.4 | | |
| 70 | R | 48.7 | Very low | 49.1 | Very low | 199 Ų | 199 | 140 Ų | 140 | 75% | 0.751 | 81% | 0.81 | S | S | * | * | | | | 92.1 | 95.3 | 130 | -72.5 | 173.2 | -170.2 | -154.6 | 11.3 | 119.6 | | |
| 71 | T | 45.6 | Very low | 49.4 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | | | | 17.2 | 122.7 | 121.3 | -21.9 | 0 | 0 | 0 | 0 | 118.1 | | |
| 72 | A | 46.7 | Very low | 49.5 | Very low | 104 Ų | 104 | 149.1 Ų | 149.1 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | | | trans | -162.7 | 126.8 | 136.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 73 | V | 46.4 | Very low | 50 | Low | 124 Ų | 124 | 153.8 Ų | 153.8 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | | | trans | -82.1 | 130.7 | 176.6 | 172.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 74 | Q | 54 | Low | 50.4 | Low | 191 Ų | 191 | 155.6 Ų | 155.6 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | | | trans | -144.8 | 99.2 | 155.4 | -76 | -169.9 | 12.3 | 0 | 0 | 107.8 | | |
| 75 | R | 49.9 | Very low | 50.5 | Low | 217 Ų | 217 | 162.7 Ų | 162.7 | 82% | 0.819 | 82% | 0.816 | S | S | * | * | | | | 61 | 126.8 | 84.3 | -87 | -168.2 | 171.1 | -160 | -2.1 | 116.6 | | |
| 76 | K | 51.5 | Low | 50.4 | Low | 187 Ų | 187 | 167.6 Ų | 167.6 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | | | trans | 75.2 | 127.4 | 158.1 | -72.2 | 179.8 | 171.9 | -177.9 | 0 | 114.6 | | |
| 77 | T | 51.9 | Low | 50.5 | Low | 124 Ų | 124 | 170.3 Ų | 170.3 | 76% | 0.761 | 82% | 0.821 | S | S | * | * | | | | -170 | 148.1 | 77.3 | -58.4 | 0 | 0 | 0 | 0 | 107.2 | | |
| 78 | V | 59 | Low | 50 | Low | 137 Ų | 137 | 173.9 Ų | 173.9 | 83% | 0.83 | 82% | 0.82 | S | S | * | * | | | | 177.9 | 150.9 | 106.7 | 157.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 79 | P | 51.3 | Low | 50.3 | Low | 101 Ų | 101 | 167.5 Ų | 167.5 | 66% | 0.656 | 81% | 0.809 | S | S | * | * | | | trans | -112.8 | 159.2 | -151.1 | 36.6 | -22.1 | 0 | 0 | 0 | 116.8 | | |
| 80 | V | 47 | Very low | 50.7 | Low | 126 Ų | 126 | 168 Ų | 168 | 76% | 0.764 | 82% | 0.821 | S | S | * | * | | | trans | 37.7 | 120.6 | 139.8 | -171.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 81 | R | 53.8 | Low | 50.9 | Low | 253 Ų | 253 | 163 Ų | 163 | 96% | 0.955 | 82% | 0.823 | S | S | * | * | | | trans | -129.2 | 137.5 | 146.5 | -80.8 | -171.8 | 170.2 | -174.7 | -2.3 | 111.7 | | |
| 82 | R | 48.3 | Very low | 51.1 | Low | 242 Ų | 242 | 168.3 Ų | 168.3 | 91% | 0.913 | 83% | 0.827 | S | S | * | * | | | trans | -77.6 | 155.8 | -164.2 | -69.1 | 172.4 | 168.4 | 179.3 | -4.7 | 114.8 | | |
| 83 | H | 51.6 | Low | 51.2 | Low | 179 Ų | 179 | 168.7 Ų | 168.7 | 83% | 0.829 | 82% | 0.824 | S | S | * | * | | | trans | -53 | 170.3 | 168.2 | -86 | -64.3 | 0 | 0 | 0 | 116.1 | | |
| 84 | P | 51.2 | Low | 51.5 | Low | 122 Ų | 122 | 171.1 Ų | 171.1 | 79% | 0.792 | 83% | 0.827 | S | S | * | * | | | | -135.4 | 140.6 | 113 | 34.8 | -22.7 | 0 | 0 | 0 | 115.1 | | |
| 85 | R | 48.3 | Very low | 51.3 | Low | 239 Ų | 239 | 168.6 Ų | 168.6 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | | | trans | -63.5 | 139.2 | 167.2 | -72.7 | 176.7 | 169.9 | 165.1 | -3.8 | 110.6 | | |
| 86 | R | 49.7 | Very low | 51.3 | Low | 237 Ų | 237 | 166.5 Ų | 166.5 | 89% | 0.894 | 82% | 0.824 | S | S | * | * | | | trans | -134 | 110.9 | 159.4 | -85.5 | -169.3 | 172.7 | -158.9 | -0.9 | 111.5 | | |
| 87 | H | 49.7 | Very low | 51 | Low | 182 Ų | 182 | 170.1 Ų | 170.1 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | | | trans | 48.3 | 111.2 | 136.7 | -67.8 | -84.1 | 0 | 0 | 0 | 122.5 | | |
| 88 | Q | 45.2 | Very low | 50.5 | Low | 181 Ų | 181 | 167.2 Ų | 167.2 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | | | trans | -38.8 | -175.9 | 147.1 | -103.9 | -177.3 | 1.6 | 0 | 0 | 117 | | |
| 89 | P | 56.2 | Low | 50 | Low | 105 Ų | 105 | 166.4 Ų | 166.4 | 68% | 0.682 | 82% | 0.823 | S | S | * | * | | | cis | -135 | -168.5 | -22.8 | 32 | -9.9 | 0 | 0 | 0 | 111.9 | | |
| 90 | V | 58.5 | Low | 49.8 | Very low | 144 Ų | 144 | 166.2 Ų | 166.2 | 87% | 0.873 | 82% | 0.824 | S | S | * | * | | | trans | 142.3 | 132.3 | 158.1 | 164.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 91 | A | 53.6 | Low | 49.8 | Very low | 94 Ų | 94 | 164.8 Ų | 164.8 | 78% | 0.777 | 83% | 0.826 | S | S | * | * | | | cis | -156.6 | 162 | -4.6 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 92 | R | 48.8 | Very low | 49.5 | Very low | 245 Ų | 245 | 163.4 Ų | 163.4 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | | | trans | -86.6 | 138 | 176.6 | -70.8 | 173.9 | 168.4 | 156.5 | -3.8 | 111.6 | | |
| 93 | S | 49.1 | Very low | 49.4 | Very low | 112 Ų | 112 | 156.5 Ų | 156.5 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | | | trans | -155.6 | 94.7 | 145.3 | 59 | 0 | 0 | 0 | 0 | 106.9 | | |
| 94 | Q | 52.2 | Low | 49.2 | Very low | 175 Ų | 175 | 153.2 Ų | 153.2 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | | 39.6 | 133.1 | 88.9 | -80.1 | -165.7 | -4.4 | 0 | 0 | 115.4 | | |
| 95 | T | 50.5 | Low | 49.1 | Very low | 138 Ų | 138 | 150.8 Ų | 150.8 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | | | trans | 82.2 | 115.1 | -171.7 | 70.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 96 | E | 49.5 | Very low | 49.1 | Very low | 174 Ų | 174 | 142 Ų | 142 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | cis | -141.4 | 107.3 | 31.6 | -67.3 | 172.4 | 150.4 | 0 | 0 | 110.5 | | |
| 97 | R | 44.9 | Very low | 49.1 | Very low | 263 Ų | 263 | 135.4 Ų | 135.4 | 99% | 0.992 | 75% | 0.752 | S | S | * | * | | | trans | -85.9 | 108.3 | 158.9 | -83.4 | -178 | -176.9 | 173 | 0.2 | 107 | | |
| 98 | G | 42.7 | Very low | 49 | Very low | 62 Ų | 62 | 133.2 Ų | 133.2 | 64% | 0.639 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 122.9 | 103.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 99 | T | 48.3 | Very low | 49 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -177.1 | -25.3 | 147 | 24.7 | 0 | 0 | 0 | 0 | 114 | | |
| 100 | S | 46.4 | Very low | 48.6 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -100.2 | -11.3 | -167.1 | -48.2 | 0 | 0 | 0 | 0 | 117 | | |
| 101 | A | 46.4 | Very low | 48.1 | Very low | 97 Ų | 97 | 128 Ų | 128 | 80% | 0.802 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -83.3 | -11.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 102 | R | 48.1 | Very low | 47.7 | Very low | 224 Ų | 224 | 128.1 Ų | 128.1 | 85% | 0.845 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -94.1 | -15.6 | 178 | -78 | -172.6 | 179.1 | -179.5 | -0.1 | 114.5 | V104 A105 | R102-V104 VanDerWaalsContact C-N 3.31Å; R102-V104 PolarHBondContact O-N 3.44Å; R102-A105 PolarHBondContact O-N 3.4Å |
| 103 | V | 46.6 | Very low | 47.7 | Very low | 96 Ų | 96 | 121.4 Ų | 121.4 | 58% | 0.582 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -74.9 | -23.6 | -178.8 | -175.8 | 0 | 0 | 0 | 0 | 111.8 | A105 V107 | V103-A105 VanDerWaalsContact C-N 3.33Å; V103-A105 PolarHBondContact O-N 3.48Å; V103-V107 WeakPolarHBondContact O-CG2 3.47Å |
| 104 | V | 47.8 | Very low | 47.7 | Very low | 110 Ų | 110 | 126 Ų | 126 | 67% | 0.667 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -74.6 | -22.5 | 176.7 | -177.2 | 0 | 0 | 0 | 0 | 112.4 | R102 | R102-V104 VanDerWaalsContact C-N 3.31Å; R102-V104 PolarHBondContact O-N 3.44Å |
| 105 | A | 48.4 | Very low | 47.5 | Very low | 72 Ų | 72 | 123.7 Ų | 123.7 | 60% | 0.595 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -85.2 | -26.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | R102 V103 | R102-A105 PolarHBondContact O-N 3.4Å; V103-A105 VanDerWaalsContact C-N 3.33Å; V103-A105 PolarHBondContact O-N 3.48Å |
| 106 | A | 49.3 | Very low | 47.3 | Very low | 55 Ų | 55 | 124.7 Ų | 124.7 | 46% | 0.455 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -78.1 | -22.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | N108 S109 | A106-N108 VanDerWaalsContact C-N 3.32Å; A106-S109 PolarHBondContact O-OG 3.36Å |
| 107 | V | 48.8 | Very low | 47.3 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 59% | 0.594 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -22.7 | 176.4 | -179.7 | 0 | 0 | 0 | 0 | 111.7 | V103 | V103-V107 WeakPolarHBondContact O-CG2 3.47Š|
| 108 | N | 47.7 | Very low | 47.4 | Very low | 135 Ų | 135 | 120.6 Ų | 120.6 | 72% | 0.722 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -7.6 | 176.8 | -82 | -21.3 | 0 | 0 | 0 | 114.3 | A106 | A106-N108 VanDerWaalsContact C-N 3.32Š|
| 109 | S | 46.1 | Very low | 47.7 | Very low | 83 Ų | 83 | 123.7 Ų | 123.7 | 58% | 0.58 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -98.3 | -11.4 | 177.4 | 74.4 | 0 | 0 | 0 | 0 | 114.6 | A106 | A106-S109 PolarHBondContact O-OG 3.36Š|
| 110 | M | 47.4 | Very low | 47.6 | Very low | 151 Ų | 151 | 123.9 Ų | 123.9 | 74% | 0.744 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -89.8 | -8.3 | 177.2 | -77.8 | -179.3 | 81.8 | 0 | 0 | 113.9 | S112 | M110-S112 VanDerWaalsContact C-N 3.35Š|
| 111 | S | 47.1 | Very low | 47.7 | Very low | 87 Ų | 87 | 125.5 Ų | 125.5 | 61% | 0.608 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | 1.7 | -177.9 | -48.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 112 | S | 45.5 | Very low | 47.8 | Very low | 97 Ų | 97 | 127.3 Ų | 127.3 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 0.3 | -176.4 | -168.1 | 0 | 0 | 0 | 0 | 114.8 | M110 | M110-S112 VanDerWaalsContact C-N 3.35Š|
| 113 | V | 49.7 | Very low | 47.8 | Very low | 104 Ų | 104 | 120.8 Ų | 120.8 | 63% | 0.63 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -103 | -5.9 | -175 | -174.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 114 | Y | 48.7 | Very low | 47.9 | Very low | 208 Ų | 208 | 122.6 Ų | 122.6 | 82% | 0.816 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -107.3 | 20.2 | -175.6 | -80.4 | -81 | 0 | 0 | 0 | 114.9 | | |
| 115 | V | 47.9 | Very low | 47.9 | Very low | 126 Ų | 126 | 123.5 Ų | 123.5 | 76% | 0.764 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -118.8 | 15.9 | 178.4 | -170.7 | 0 | 0 | 0 | 0 | 112 | | |
| 116 | L | 46.6 | Very low | 47.8 | Very low | 159 Ų | 159 | 127.8 Ų | 127.8 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | | | trans | -142.1 | 23 | -171.8 | -110.5 | 152.4 | 0 | 0 | 0 | 115.4 | | |
| 117 | L | 48.9 | Very low | 47.7 | Very low | 231 Ų | 231 | 134.5 Ų | 134.5 | 100% | 1.209 | 74% | 0.743 | S | S | * | * | | | trans | -128.5 | 0 | 167.9 | -80.6 | 164.8 | 0 | 0 | 0 | 108.9 | | |