| 1 | M | 41.9 | Very low | 56 | Low | 238 Ų | 238 | 115.2 Ų | 115.2 | 100% | 1.172 | 65% | 0.652 | S | S | * | * | | | | 0 | 97.6 | 0 | -65.9 | 165.7 | 173.1 | 0 | 0 | 109 | | |
| 2 | I | 42.6 | Very low | 57.1 | Low | 159 Ų | 159 | 122.4 Ų | 122.4 | 82% | 0.815 | 66% | 0.661 | S | S | * | * | | | trans | -144.4 | 68.7 | 173.8 | -46.7 | 179.7 | 0 | 0 | 0 | 109.5 | | |
| 3 | T | 47.7 | Very low | 58.1 | Low | 130 Ų | 130 | 115.6 Ų | 115.6 | 80% | 0.798 | 62% | 0.622 | S | S | * | * | | | trans | -136.6 | 10.6 | -177.9 | -22.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 4 | A | 45 | Very low | 59.1 | Low | 76 Ų | 76 | 112.9 Ų | 112.9 | 63% | 0.628 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -88.5 | -28.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | V6 S7 | A4-V6 PolarHBondContact O-N 3.11Å; A4-S7 PolarHBondContact O-OG 3.27Å |
| 5 | P | 54.3 | Low | 59.9 | Low | 78 Ų | 78 | 111.6 Ų | 111.6 | 51% | 0.506 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -78.5 | -19.7 | -167.9 | 29.4 | -34.7 | 0 | 0 | 0 | 114.6 | C9 | P5-C9 PolarHBondContact O-N 3.3Å; P5-C9 PolarHBondContact O-SG 2.85Å |
| 6 | V | 57.2 | Low | 60.9 | Low | 102 Ų | 102 | 105.8 Ų | 105.8 | 62% | 0.618 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -79.4 | -36.7 | -170.8 | -174.2 | 0 | 0 | 0 | 0 | 112.5 | A4 R10 | A4-V6 PolarHBondContact O-N 3.11Å; V6-R10 WeakPolarHBondContact O-CB 3.32Å; V6-R10 PolarHBondContact O-N 3.49Å; V6-R10 VanDerWaalsContact O-N 3.08Å |
| 7 | S | 59.4 | Low | 62.1 | Low | 70 Ų | 70 | 104.8 Ų | 104.8 | 49% | 0.49 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.9 | -52.8 | 178.3 | 45.6 | 0 | 0 | 0 | 0 | 111.7 | A4 C9 R10 E11 | A4-S7 PolarHBondContact O-OG 3.27Å; S7-C9 VanDerWaalsContact C-N 3.3Å; S7-C9 PolarHBondContact O-N 2.91Å; S7-R10 WeakPolarHBondContact O-CB 3.34Å; S7-R10 PolarHBondContact O-N 2.91Å; S7-E11 PolarHBondContact O-N 3.06Å |
| 8 | A | 63.6 | Low | 62.6 | Low | 54 Ų | 54 | 104.2 Ų | 104.2 | 45% | 0.446 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -57.7 | -40.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E11 R12 | A8-E11 PolarHBondContact O-N 2.65Å; A8-R12 WeakPolarHBondContact O-CB 2.91Å; A8-R12 VanDerWaalsContact O-CG 3.3Å; A8-R12 WeakPolarHBondContact O-CG 3.45Å; A8-R12 PolarHBondContact O-N 3.41Å; A8-R12 VanDerWaalsContact O-N 3.1Å |
| 9 | C | 64.5 | Low | 62.9 | Low | 72 Ų | 72 | 106 Ų | 106 | 49% | 0.486 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.9 | -35.9 | 175.1 | -69 | 0 | 0 | 0 | 0 | 112.8 | P5 S7 F13 | P5-C9 PolarHBondContact O-N 3.3Å; P5-C9 PolarHBondContact O-SG 2.85Å; S7-C9 VanDerWaalsContact C-N 3.3Å; S7-C9 PolarHBondContact O-N 2.91Å; C9-F13 WeakPolarHBondContact O-CB 3.32Å; C9-F13 PolarHBondContact O-N 3.4Å |
| 10 | R | 70.8 | Confident | 63.4 | Low | 152 Ų | 152 | 106.2 Ų | 106.2 | 57% | 0.574 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.8 | -43.1 | 177 | -178.9 | 176.9 | 176.5 | -108.5 | 1.1 | 111.9 | V6 S7 F13 L14 | V6-R10 WeakPolarHBondContact O-CB 3.32Å; V6-R10 PolarHBondContact O-N 3.49Å; V6-R10 VanDerWaalsContact O-N 3.08Å; S7-R10 WeakPolarHBondContact O-CB 3.34Å; S7-R10 PolarHBondContact O-N 2.91Å; R10-F13 PolarHBondContact O-N 2.82Å; R10-L14 HydrophobicContact CG-CD1 4.38Å; R10-L14 WeakPolarHBondContact O-CG 3.19Å; R10-L14 PolarHBondContact O-N 2.81Å |
| 11 | E | 68.4 | Low | 63.8 | Low | 136 Ų | 136 | 105.6 Ų | 105.6 | 64% | 0.636 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.9 | -47.1 | 178.1 | -70.1 | 175.9 | 173.6 | 0 | 0 | 111.7 | S7 A8 F13 L14 S15 | S7-E11 PolarHBondContact O-N 3.06Å; A8-E11 PolarHBondContact O-N 2.65Å; E11-F13 VanDerWaalsContact C-N 3.27Å; E11-F13 PolarHBondContact O-N 3.08Å; E11-L14 PolarHBondContact O-N 3.02Å; E11-L14 VanDerWaalsContact O-N 3.1Å; E11-S15 PolarHBondContact O-N 2.97Å |
| 12 | R | 70 | Confident | 65 | Low | 202 Ų | 202 | 101.3 Ų | 101.3 | 76% | 0.762 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -55.4 | -41.9 | 172.1 | -70.1 | -67.4 | -147.1 | -122.9 | 3.2 | 111.6 | A8 S15 A16 | A8-R12 WeakPolarHBondContact O-CB 2.91Å; A8-R12 VanDerWaalsContact O-CG 3.3Å; A8-R12 WeakPolarHBondContact O-CG 3.45Å; A8-R12 PolarHBondContact O-N 3.41Å; A8-R12 VanDerWaalsContact O-N 3.1Å; R12-S15 PolarHBondContact O-N 2.59Å; R12-S15 PolarHBondContact O-OG 2.79Å; R12-A16 PolarHBondContact O-N 3.09Å |
| 13 | F | 70 | Confident | 66.6 | Low | 34 Ų | 34 | 96.6 Ų | 96.6 | 15% | 0.149 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -67.6 | -36.2 | 176.2 | 179.1 | -116.6 | 0 | 0 | 0 | 113.7 | C9 R10 E11 S15 A16 R21 V26 F30 | C9-F13 WeakPolarHBondContact O-CB 3.32Å; C9-F13 PolarHBondContact O-N 3.4Å; R10-F13 PolarHBondContact O-N 2.82Å; E11-F13 VanDerWaalsContact C-N 3.27Å; E11-F13 PolarHBondContact O-N 3.08Å; F13-S15 VanDerWaalsContact C-N 3.32Å; F13-S15 PolarHBondContact O-N 2.86Å; F13-A16 WeakPolarHBondContact O-CB 3.47Å; F13-A16 PolarHBondContact O-N 3.19Å; F13-R21 HydrophobicContact CD2-CG 4.22Å; F13-R21 HydrophobicContact CE1-CG 4.5Å; F13-R21 HydrophobicContact CE2-CB 4.05Å; F13-R21 HydrophobicContact CE2-CG 3.64Å; F13-R21 HydrophobicContact CZ-CB 3.89Å; F13-R21 HydrophobicContact CZ-CG 3.81Å; F13-R21 WeakPolarHBondContact O-CD 3.16Å; F13-V26 HydrophobicContact CD2-CG1 3.94Å; F13-V26 HydrophobicContact CE2-CB 4.47Å; F13-V26 HydrophobicContact CE2-CG1 3.36Å; F13-V26 HydrophobicContact CZ-CG1 4.1Å; F13-F30 HydrophobicContact CB-CE1 4.28Å; F13-F30 HydrophobicContact CB-CE2 3.83Å; F13-F30 HydrophobicContact CB-CZ 3.63Å; F13-F30 AromaticContact CD1-CD2 3.73Å; F13-F30 HydrophobicContact CD1-CD2 3.73Å; F13-F30 AromaticContact CD1-CE2 3.77Å; F13-F30 HydrophobicContact CD1-CE2 3.77Å; F13-F30 HydrophobicContact CD1-CG 4.12Å; F13-F30 HydrophobicContact CD1-CZ 4.18Å; F13-F30 HydrophobicContact CD2-CD2 4.08Å; F13-F30 AromaticContact CD2-CE2 3.56Å; F13-F30 HydrophobicContact CD2-CE2 3.56Å; F13-F30 HydrophobicContact CD2-CZ 4.25Å; F13-F30 AromaticContact CE1-CD2 3.78Å; F13-F30 HydrophobicContact CE1-CD2 3.78Å; F13-F30 HydrophobicContact CE1-CE2 4.2Å; F13-F30 HydrophobicContact CE1-CG 4.26Å; F13-F30 HydrophobicContact CE2-CD2 4.14Å; F13-F30 HydrophobicContact CE2-CE2 4.02Å; F13-F30 AromaticContact CG-CD2 3.88Å; F13-F30 HydrophobicContact CG-CD2 3.88Å; F13-F30 HydrophobicContact CG-CE1 4.47Å; F13-F30 AromaticContact CG-CE2 3.41Å; F13-F30 HydrophobicContact CG-CE2 3.41Å; F13-F30 VanDerWaalsContact CG-CE2 3.41Å; F13-F30 AromaticContact CG-CZ 3.76Å; F13-F30 HydrophobicContact CG-CZ 3.76Å; F13-F30 AromaticContact CZ-CD2 3.99Å; F13-F30 HydrophobicContact CZ-CD2 3.99Å; F13-F30 HydrophobicContact CZ-CE2 4.31Å |
| 14 | L | 71.4 | Confident | 67.3 | Low | 78 Ų | 78 | 101.4 Ų | 101.4 | 41% | 0.408 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.6 | -35.8 | 175.2 | -71.7 | 172.6 | 0 | 0 | 0 | 111.9 | R10 E11 A16 R21 | R10-L14 HydrophobicContact CG-CD1 4.38Å; R10-L14 WeakPolarHBondContact O-CG 3.19Å; R10-L14 PolarHBondContact O-N 2.81Å; E11-L14 PolarHBondContact O-N 3.02Å; E11-L14 VanDerWaalsContact O-N 3.1Å; L14-A16 VanDerWaalsContact C-N 3.27Å; L14-A16 PolarHBondContact O-N 2.85Å; L14-R21 PolarHBondContact O-NH1 3.43Å |
| 15 | S | 72.1 | Confident | 68.4 | Low | 93 Ų | 93 | 106.7 Ų | 106.7 | 65% | 0.65 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -9.9 | 173.8 | 68.4 | 0 | 0 | 0 | 0 | 115.3 | E11 R12 F13 | E11-S15 PolarHBondContact O-N 2.97Å; R12-S15 PolarHBondContact O-N 2.59Å; R12-S15 PolarHBondContact O-OG 2.79Å; F13-S15 VanDerWaalsContact C-N 3.32Å; F13-S15 PolarHBondContact O-N 2.86Å |
| 16 | A | 75.9 | Confident | 68.7 | Low | 19 Ų | 19 | 104.4 Ų | 104.4 | 16% | 0.157 | 53% | 0.526 | C | S | . | . | S | Bend | trans | -75.1 | 148.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R12 F13 L14 F20 R21 | R12-A16 PolarHBondContact O-N 3.09Å; F13-A16 WeakPolarHBondContact O-CB 3.47Å; F13-A16 PolarHBondContact O-N 3.19Å; L14-A16 VanDerWaalsContact C-N 3.27Å; L14-A16 PolarHBondContact O-N 2.85Å; A16-F20 HydrophobicContact CB-CD1 3.82Å; A16-F20 HydrophobicContact CB-CE1 4.46Å; A16-R21 HydrophobicContact CB-CG 4.22Å; A16-R21 WeakPolarHBondContact O-CD 3.11Å |
| 17 | P | 80.7 | Confident | 69 | Low | 89 Ų | 89 | 102.4 Ų | 102.4 | 58% | 0.578 | 52% | 0.516 | S | S | * | . | | | trans | -54.3 | 144.2 | -178.9 | -28.6 | 35.7 | 0 | 0 | 0 | 113.6 | L19 F20 R21 | P17-L19 VanDerWaalsContact C-N 3.25Å; P17-L19 PolarHBondContact O-N 3.04Å; P17-L19 VanDerWaalsContact O-N 3.12Å; P17-F20 WeakPolarHBondContact O-CB 3.32Å; P17-F20 PolarHBondContact O-N 3.28Å; P17-R21 PolarHBondContact O-N 3.23Å |
| 18 | P | 70.4 | Confident | 69.1 | Low | 94 Ų | 94 | 102.3 Ų | 102.3 | 61% | 0.61 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -53.5 | -39.1 | -175.7 | -29 | 35.5 | 0 | 0 | 0 | 114.1 | F20 R21 Q22 | P18-F20 VanDerWaalsContact C-N 3.33Å; P18-F20 PolarHBondContact O-N 2.91Å; P18-R21 PolarHBondContact O-N 3.44Å; P18-Q22 WeakPolarHBondContact O-CG 3.48Å; P18-Q22 PolarHBondContact O-N 3.41Å |
| 19 | L | 70 | Confident | 69.2 | Low | 138 Ų | 138 | 107.1 Ų | 107.1 | 72% | 0.723 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.3 | -37.2 | 178.4 | -59.5 | 177.6 | 0 | 0 | 0 | 112.6 | P17 | P17-L19 VanDerWaalsContact C-N 3.25Å; P17-L19 PolarHBondContact O-N 3.04Å; P17-L19 VanDerWaalsContact O-N 3.12Å |
| 20 | F | 71.7 | Confident | 68.9 | Low | 109 Ų | 109 | 106.3 Ų | 106.3 | 48% | 0.478 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.6 | -44 | 175.2 | -177.2 | -99.1 | 0 | 0 | 0 | 110.8 | A16 P17 P18 Q22 T23 V26 | A16-F20 HydrophobicContact CB-CD1 3.82Å; A16-F20 HydrophobicContact CB-CE1 4.46Å; P17-F20 WeakPolarHBondContact O-CB 3.32Å; P17-F20 PolarHBondContact O-N 3.28Å; P18-F20 VanDerWaalsContact C-N 3.33Å; P18-F20 PolarHBondContact O-N 2.91Å; F20-Q22 VanDerWaalsContact C-N 3.28Å; F20-Q22 PolarHBondContact O-N 2.99Å; F20-T23 PolarHBondContact O-N 3.42Å; F20-T23 PolarHBondContact O-OG1 2.77Å; F20-V26 HydrophobicContact CE1-CG1 4.02Å; F20-V26 HydrophobicContact CE1-CG2 4.16Å; F20-V26 HydrophobicContact CE2-CG2 4.34Å; F20-V26 HydrophobicContact CZ-CG2 3.95Å |
| 21 | R | 72.3 | Confident | 68.1 | Low | 95 Ų | 95 | 102.5 Ų | 102.5 | 36% | 0.358 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -28.8 | 178.9 | -63.9 | 176.3 | 56.3 | 179.9 | -11.4 | 113.3 | F13 L14 A16 P17 P18 | F13-R21 HydrophobicContact CD2-CG 4.22Å; F13-R21 HydrophobicContact CE1-CG 4.5Å; F13-R21 HydrophobicContact CE2-CB 4.05Å; F13-R21 HydrophobicContact CE2-CG 3.64Å; F13-R21 HydrophobicContact CZ-CB 3.89Å; F13-R21 HydrophobicContact CZ-CG 3.81Å; F13-R21 WeakPolarHBondContact O-CD 3.16Å; L14-R21 PolarHBondContact O-NH1 3.43Å; A16-R21 HydrophobicContact CB-CG 4.22Å; A16-R21 WeakPolarHBondContact O-CD 3.11Å; P17-R21 PolarHBondContact O-N 3.23Å; P18-R21 PolarHBondContact O-N 3.44Å |
| 22 | Q | 66.7 | Low | 67 | Low | 148 Ų | 148 | 100.9 Ų | 100.9 | 69% | 0.692 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -10 | 176.8 | -74.3 | 178.6 | -5.2 | 0 | 0 | 114.5 | P18 F20 R24 | P18-Q22 WeakPolarHBondContact O-CG 3.48Å; P18-Q22 PolarHBondContact O-N 3.41Å; F20-Q22 VanDerWaalsContact C-N 3.28Å; F20-Q22 PolarHBondContact O-N 2.99Å; Q22-R24 PolarHBondContact O-N 3.43Å |
| 23 | T | 75.4 | Confident | 65.9 | Low | 59 Ų | 59 | 95 Ų | 95 | 36% | 0.362 | 51% | 0.505 | S | S | . | . | | | trans | -65.7 | 126 | 178.4 | 64.4 | 0 | 0 | 0 | 0 | 111 | F20 K25 V26 C27 | F20-T23 PolarHBondContact O-N 3.42Å; F20-T23 PolarHBondContact O-OG1 2.77Å; T23-K25 PolarHBondContact O-N 2.87Å; T23-V26 PolarHBondContact O-N 3.31Å; T23-V26 VanDerWaalsContact OG1-CG2 3.26Å; T23-V26 WeakPolarHBondContact OG1-CG2 3.38Å; T23-C27 PolarHBondContact O-N 3.34Å |
| 24 | R | 64.2 | Low | 64.6 | Low | 231 Ų | 231 | 102 Ų | 102 | 87% | 0.872 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -50.7 | -36.4 | -177.3 | -73.4 | -167.5 | -178.2 | -160.5 | 3 | 113.2 | Q22 S28 | Q22-R24 PolarHBondContact O-N 3.43Å; R24-S28 WeakPolarHBondContact O-CB 3.34Å; R24-S28 PolarHBondContact O-N 3Å |
| 25 | K | 66.9 | Low | 62.8 | Low | 188 Ų | 188 | 104 Ų | 104 | 82% | 0.817 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.9 | -44.5 | 179.8 | -65.8 | -179.3 | -179.8 | 176.6 | 0 | 112.5 | T23 F29 | T23-K25 PolarHBondContact O-N 2.87Å; K25-F29 PolarHBondContact O-N 3.44Å |
| 26 | V | 62.1 | Low | 61 | Low | 29 Ų | 29 | 104.5 Ų | 104.5 | 18% | 0.176 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -79.9 | -37.2 | -178.7 | -174 | 0 | 0 | 0 | 0 | 110.9 | F13 F20 T23 S28 F29 F30 | F13-V26 HydrophobicContact CD2-CG1 3.94Å; F13-V26 HydrophobicContact CE2-CB 4.47Å; F13-V26 HydrophobicContact CE2-CG1 3.36Å; F13-V26 HydrophobicContact CZ-CG1 4.1Å; F20-V26 HydrophobicContact CE1-CG1 4.02Å; F20-V26 HydrophobicContact CE1-CG2 4.16Å; F20-V26 HydrophobicContact CE2-CG2 4.34Å; F20-V26 HydrophobicContact CZ-CG2 3.95Å; T23-V26 PolarHBondContact O-N 3.31Å; T23-V26 VanDerWaalsContact OG1-CG2 3.26Å; T23-V26 WeakPolarHBondContact OG1-CG2 3.38Å; V26-S28 VanDerWaalsContact C-N 3.34Å; V26-S28 PolarHBondContact O-N 3.21Å; V26-F29 WeakPolarHBondContact O-CB 3.33Å; V26-F29 PolarHBondContact O-N 3.34Å; V26-F30 HydrophobicContact CG1-CD2 4.23Å; V26-F30 HydrophobicContact CG1-CE2 4.05Å; V26-F30 WeakPolarHBondContact O-CD2 3.39Å; V26-F30 PolarHBondContact O-N 3.33Å |
| 27 | C | 61.5 | Low | 58.9 | Low | 61 Ų | 61 | 108.4 Ų | 108.4 | 41% | 0.412 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -58 | -46.6 | 173.3 | -168.9 | 0 | 0 | 0 | 0 | 111.3 | T23 F29 F30 S31 | T23-C27 PolarHBondContact O-N 3.34Å; C27-F29 VanDerWaalsContact C-N 3.26Å; C27-F29 PolarHBondContact O-N 2.59Å; C27-F30 PolarHBondContact O-N 3.29Å; C27-S31 PolarHBondContact O-N 3.35Å; C27-S31 PolarHBondContact O-OG 3.12Å |
| 28 | S | 62.5 | Low | 56.6 | Low | 67 Ų | 67 | 116 Ų | 116 | 47% | 0.469 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -56.7 | -36 | 176.3 | -169.5 | 0 | 0 | 0 | 0 | 113.6 | R24 V26 S31 S32 | R24-S28 WeakPolarHBondContact O-CB 3.34Å; R24-S28 PolarHBondContact O-N 3Å; V26-S28 VanDerWaalsContact C-N 3.34Å; V26-S28 PolarHBondContact O-N 3.21Å; S28-S31 PolarHBondContact O-N 3.04Å; S28-S32 PolarHBondContact O-N 3.01Å; S28-S32 VanDerWaalsContact O-N 3.1Å; S28-S32 PolarHBondContact O-OG 3.09Å |
| 29 | F | 64.9 | Low | 54.7 | Low | 155 Ų | 155 | 116.8 Ų | 116.8 | 68% | 0.68 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.2 | -41.7 | -178.5 | -168.3 | -95.8 | 0 | 0 | 0 | 112 | K25 V26 C27 | K25-F29 PolarHBondContact O-N 3.44Å; V26-F29 WeakPolarHBondContact O-CB 3.33Å; V26-F29 PolarHBondContact O-N 3.34Å; C27-F29 VanDerWaalsContact C-N 3.26Å; C27-F29 PolarHBondContact O-N 2.59Å |
| 30 | F | 58.3 | Low | 53.1 | Low | 56 Ų | 56 | 116.9 Ų | 116.9 | 25% | 0.246 | 61% | 0.613 | C | S | . | * | H | α-helix | trans | -87.1 | -16.6 | 177.8 | -68 | -77.9 | 0 | 0 | 0 | 113.9 | F13 V26 C27 S33 | F13-F30 HydrophobicContact CB-CE1 4.28Å; F13-F30 HydrophobicContact CB-CE2 3.83Å; F13-F30 HydrophobicContact CB-CZ 3.63Å; F13-F30 AromaticContact CD1-CD2 3.73Å; F13-F30 HydrophobicContact CD1-CD2 3.73Å; F13-F30 AromaticContact CD1-CE2 3.77Å; F13-F30 HydrophobicContact CD1-CE2 3.77Å; F13-F30 HydrophobicContact CD1-CG 4.12Å; F13-F30 HydrophobicContact CD1-CZ 4.18Å; F13-F30 HydrophobicContact CD2-CD2 4.08Å; F13-F30 AromaticContact CD2-CE2 3.56Å; F13-F30 HydrophobicContact CD2-CE2 3.56Å; F13-F30 HydrophobicContact CD2-CZ 4.25Å; F13-F30 AromaticContact CE1-CD2 3.78Å; F13-F30 HydrophobicContact CE1-CD2 3.78Å; F13-F30 HydrophobicContact CE1-CE2 4.2Å; F13-F30 HydrophobicContact CE1-CG 4.26Å; F13-F30 HydrophobicContact CE2-CD2 4.14Å; F13-F30 HydrophobicContact CE2-CE2 4.02Å; F13-F30 AromaticContact CG-CD2 3.88Å; F13-F30 HydrophobicContact CG-CD2 3.88Å; F13-F30 HydrophobicContact CG-CE1 4.47Å; F13-F30 AromaticContact CG-CE2 3.41Å; F13-F30 HydrophobicContact CG-CE2 3.41Å; F13-F30 VanDerWaalsContact CG-CE2 3.41Å; F13-F30 AromaticContact CG-CZ 3.76Å; F13-F30 HydrophobicContact CG-CZ 3.76Å; F13-F30 AromaticContact CZ-CD2 3.99Å; F13-F30 HydrophobicContact CZ-CD2 3.99Å; F13-F30 HydrophobicContact CZ-CE2 4.31Å; V26-F30 HydrophobicContact CG1-CD2 4.23Å; V26-F30 HydrophobicContact CG1-CE2 4.05Å; V26-F30 WeakPolarHBondContact O-CD2 3.39Å; V26-F30 PolarHBondContact O-N 3.33Å; C27-F30 PolarHBondContact O-N 3.29Å; F30-S33 PolarHBondContact O-OG 3.32Å |
| 31 | S | 53.8 | Low | 51.2 | Low | 72 Ų | 72 | 119.7 Ų | 119.7 | 50% | 0.503 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -73.4 | -38.3 | 169.6 | -68.2 | 0 | 0 | 0 | 0 | 112.3 | C27 S28 S33 R34 | C27-S31 PolarHBondContact O-N 3.35Å; C27-S31 PolarHBondContact O-OG 3.12Å; S28-S31 PolarHBondContact O-N 3.04Å; S31-S33 PolarHBondContact O-N 3.3Å; S31-R34 PolarHBondContact O-N 3Å |
| 32 | S | 46.7 | Very low | 49.2 | Very low | 102 Ų | 102 | 123.6 Ų | 123.6 | 71% | 0.713 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -14.5 | 178.8 | -67.5 | 0 | 0 | 0 | 0 | 114.4 | S28 | S28-S32 PolarHBondContact O-N 3.01Å; S28-S32 VanDerWaalsContact O-N 3.1Å; S28-S32 PolarHBondContact O-OG 3.09Å |
| 33 | S | 45.5 | Very low | 47.6 | Very low | 79 Ų | 79 | 122.4 Ų | 122.4 | 55% | 0.552 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 23.2 | 179 | 68.8 | 0 | 0 | 0 | 0 | 114 | F30 S31 | F30-S33 PolarHBondContact O-OG 3.32Å; S31-S33 PolarHBondContact O-N 3.3Å |
| 34 | R | 43 | Very low | 45.5 | Very low | 180 Ų | 180 | 122.7 Ų | 122.7 | 68% | 0.679 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -115.6 | 139 | 171.7 | -71.1 | -171.6 | 174.9 | -143.1 | 1.9 | 110.8 | S31 | S31-R34 PolarHBondContact O-N 3Š|
| 35 | P | 34.4 | Very low | 43.9 | Very low | 119 Ų | 119 | 119 Ų | 119 | 77% | 0.773 | 68% | 0.677 | S | S | * | * | | | trans | -61.8 | 155.5 | 163.7 | 29.2 | -33.9 | 0 | 0 | 0 | 110.1 | C37 | P35-C37 PolarHBondContact O-N 3.22Š|
| 36 | A | 33.9 | Very low | 42.5 | Very low | 104 Ų | 104 | 116.5 Ų | 116.5 | 86% | 0.86 | 68% | 0.677 | S | S | * | * | | | trans | -70.1 | 94.5 | -158 | 0 | 0 | 0 | 0 | 0 | 115.4 | R38 | A36-R38 PolarHBondContact O-N 3.2Š|
| 37 | C | 31 | Very low | 40.9 | Very low | 101 Ų | 101 | 125.7 Ų | 125.7 | 68% | 0.682 | 71% | 0.711 | S | S | * | * | | | trans | -81.7 | 99.7 | 160.3 | -60.8 | 0 | 0 | 0 | 0 | 110 | P35 C39 | P35-C37 PolarHBondContact O-N 3.22Å; C37-C39 PolarHBondContact O-N 3.41Å |
| 38 | R | 33.5 | Very low | 40 | Very low | 249 Ų | 249 | 130.7 Ų | 130.7 | 94% | 0.94 | 73% | 0.728 | S | S | * | * | | | trans | -75.1 | 87.6 | 169.8 | -101.9 | -175.2 | 160.6 | -169.9 | -5.2 | 110.1 | A36 | A36-R38 PolarHBondContact O-N 3.2Š|
| 39 | C | 29.9 | Very low | 39 | Very low | 111 Ų | 111 | 132.4 Ų | 132.4 | 75% | 0.75 | 74% | 0.738 | S | S | * | * | | | trans | -115.8 | 92.9 | 171.8 | -60.8 | 0 | 0 | 0 | 0 | 109.7 | C37 L41 | C37-C39 PolarHBondContact O-N 3.41Å; C39-L41 PolarHBondContact O-N 2.96Å |
| 40 | T | 36.4 | Very low | 37.6 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 86% | 0.859 | 74% | 0.743 | S | S | * | * | | | trans | -77.9 | 112.6 | 169.1 | -46.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 41 | L | 31.2 | Very low | 36.6 | Very low | 167 Ų | 167 | 135.1 Ų | 135.1 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | | | trans | -142.2 | 137.4 | 171.3 | -142 | 72.9 | 0 | 0 | 0 | 111.2 | C39 | C39-L41 PolarHBondContact O-N 2.96Š|
| 42 | H | 30.1 | Very low | 35.7 | Very low | 178 Ų | 178 | 137.1 Ų | 137.1 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | | | trans | -86.6 | 150.7 | -179.6 | -127.4 | -115.4 | 0 | 0 | 0 | 110.4 | | |
| 43 | P | 33.8 | Very low | 35.2 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | | | trans | -77.8 | 128.1 | 177.7 | 31 | -33.6 | 0 | 0 | 0 | 111.8 | | |
| 44 | G | 31.3 | Very low | 34.5 | Very low | 64 Ų | 64 | 139.9 Ų | 139.9 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | | | trans | 171.3 | 138.6 | 171 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 45 | T | 30.1 | Very low | 34.1 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 95% | 0.945 | 80% | 0.8 | S | S | * | * | | | trans | 73.6 | 148.1 | 177.2 | 74.9 | 0 | 0 | 0 | 0 | 119 | | |
| 46 | T | 37.5 | Very low | 34.2 | Very low | 135 Ų | 135 | 135.7 Ų | 135.7 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | | | trans | -99.9 | 127.4 | -173.8 | -56.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 47 | Y | 28.7 | Very low | 34.2 | Very low | 223 Ų | 223 | 138.5 Ų | 138.5 | 88% | 0.875 | 79% | 0.793 | S | S | * | * | | | trans | -154.5 | 151.7 | 159.5 | -129.9 | -92.8 | 0 | 0 | 0 | 112.3 | | |
| 48 | Q | 43.2 | Very low | 34.4 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 77% | 0.771 | 79% | 0.793 | S | S | * | * | | | trans | -83 | 138.3 | 170.4 | -98.8 | -80.6 | 63.6 | 0 | 0 | 110.4 | | |
| 49 | P | 42 | Very low | 34.4 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | | | trans | -120 | 100.4 | 158.6 | 33.1 | -18.6 | 0 | 0 | 0 | 110.7 | | |
| 50 | D | 36 | Very low | 34.6 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | trans | -72.4 | 137.7 | 147.7 | -166.4 | -10.7 | 0 | 0 | 0 | 107.4 | | |
| 51 | C | 35.8 | Very low | 34.3 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -160.6 | 106.9 | -179.7 | -114.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 52 | S | 35.9 | Very low | 34.3 | Very low | 115 Ų | 115 | 140 Ų | 140 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | -73.1 | 168 | 174.8 | -61.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 53 | D | 35.5 | Very low | 34.6 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | trans | -32.8 | 134.1 | 158.5 | -168.1 | -101.7 | 0 | 0 | 0 | 117 | | |
| 54 | A | 30.5 | Very low | 34.7 | Very low | 90 Ų | 90 | 139.8 Ų | 139.8 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | | | trans | -170.7 | 128.3 | 148.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 55 | S | 35.4 | Very low | 34.7 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | cis | 71.1 | 90.9 | 21 | -157.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 56 | S | 36.4 | Very low | 35 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -176.3 | 162.9 | 133.6 | -150.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 57 | Q | 34 | Very low | 34.9 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | | | trans | 64.5 | 146.7 | 157.9 | -70.3 | -179.2 | -99.7 | 0 | 0 | 121 | | |
| 58 | D | 34.3 | Very low | 35.3 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 67% | 0.674 | 78% | 0.775 | S | S | * | * | | | cis | -157.5 | -157.3 | -25.3 | 52.8 | -144.9 | 0 | 0 | 0 | 111.4 | | |
| 59 | E | 33.4 | Very low | 35 | Very low | 183 Ų | 183 | 140.2 Ų | 140.2 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | | | trans | -103.8 | 168.4 | -135.3 | -40.4 | -168.5 | 117.8 | 0 | 0 | 116.4 | | |
| 60 | D | 34.8 | Very low | 34.7 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | | | trans | -31.5 | 145.6 | 176.8 | -63.6 | -107.9 | 0 | 0 | 0 | 120.2 | | |
| 61 | S | 29.7 | Very low | 34.4 | Very low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | | 175.9 | 113.1 | 113.1 | -80.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 62 | Y | 31.7 | Very low | 34.4 | Very low | 227 Ų | 227 | 139.3 Ų | 139.3 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | | | | 65.1 | 160.2 | 126.8 | -151.6 | -137.1 | 0 | 0 | 0 | 123.9 | | |
| 63 | V | 36.2 | Very low | 34.4 | Very low | 105 Ų | 105 | 143.6 Ų | 143.6 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | | | trans | 73.5 | 87.7 | 166.8 | -156.9 | 0 | 0 | 0 | 0 | 121.4 | | |
| 64 | Q | 35.8 | Very low | 34.3 | Very low | 191 Ų | 191 | 141.6 Ų | 141.6 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | | | | 22.4 | 97 | 115.9 | -164 | 81.6 | -13.8 | 0 | 0 | 119 | | |
| 65 | G | 31.7 | Very low | 35.1 | Very low | 81 Ų | 81 | 142.7 Ų | 142.7 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | | | trans | -136.8 | 117.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 66 | H | 35.8 | Very low | 34.9 | Very low | 155 Ų | 155 | 142.7 Ų | 142.7 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | | | trans | -115.6 | 115 | -170 | -174.2 | -119 | 0 | 0 | 0 | 114.2 | | |
| 67 | K | 36.2 | Very low | 34.9 | Very low | 170 Ų | 170 | 146 Ų | 146 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | | | trans | 58.3 | 136.2 | 151.5 | -70.2 | -174.8 | -174.9 | 144.4 | 0 | 121.6 | | |
| 68 | K | 36.3 | Very low | 34.8 | Very low | 185 Ų | 185 | 144.4 Ų | 144.4 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | 100.5 | 94.8 | 131.1 | -163.2 | 179.5 | 176 | -171.8 | 0 | 121.4 | | |
| 69 | K | 37.8 | Very low | 34.9 | Very low | 159 Ų | 159 | 145.5 Ų | 145.5 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | | | | 83.2 | 137.3 | 129.2 | -76.8 | -178.1 | 162.7 | -111.9 | 0 | 123.7 | | |
| 70 | H | 35.1 | Very low | 35.1 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | 32.1 | 114.8 | 145.5 | -49.8 | -76 | 0 | 0 | 0 | 122.5 | | |
| 71 | A | 29.4 | Very low | 35.2 | Very low | 90 Ų | 90 | 145.8 Ų | 145.8 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | | | | -179.6 | 120.7 | 121 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 72 | S | 37.2 | Very low | 35.4 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | | 74 | 123.7 | 54.8 | 84.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 73 | K | 35.3 | Very low | 35.6 | Very low | 205 Ų | 205 | 142.3 Ų | 142.3 | 89% | 0.891 | 76% | 0.76 | S | S | * | * | | | trans | 94.4 | 121.1 | 171.1 | -56.1 | 174.8 | -177.9 | 178.9 | 0 | 118.1 | | |
| 74 | S | 33.8 | Very low | 35.4 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | -75.6 | 163.2 | 158.2 | 180 | 0 | 0 | 0 | 0 | 110.1 | | |
| 75 | P | 46.2 | Very low | 36.6 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | | | | -145.1 | 143.1 | 107.4 | 36.4 | -21.5 | 0 | 0 | 0 | 116.8 | | |
| 76 | C | 31.8 | Very low | 36.8 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 72% | 0.723 | 75% | 0.751 | S | S | * | * | | | trans | 36 | 128.2 | 135.8 | -48.9 | 0 | 0 | 0 | 0 | 122.1 | | |
| 77 | Q | 36.3 | Very low | 36.8 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | | | | -180 | 133.7 | 101 | -93.4 | 178.4 | 101.1 | 0 | 0 | 111.1 | | |
| 78 | L | 31.5 | Very low | 36.6 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 69% | 0.686 | 74% | 0.743 | S | S | * | * | | | | 69.6 | 121.5 | 90.9 | -135.6 | 82.1 | 0 | 0 | 0 | 111.4 | | |
| 79 | L | 37.5 | Very low | 36.8 | Very low | 150 Ų | 150 | 131.1 Ų | 131.1 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | | | cis | -157.9 | 179.2 | 43.4 | -76.7 | 156 | 0 | 0 | 0 | 109.8 | | |
| 80 | S | 38 | Very low | 36.5 | Very low | 91 Ų | 91 | 134.2 Ų | 134.2 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | | | cis | 175.1 | 172.8 | -42 | -88.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 81 | R | 35.3 | Very low | 36.4 | Very low | 248 Ų | 248 | 137 Ų | 137 | 94% | 0.936 | 74% | 0.744 | S | S | * | * | | | trans | 78.5 | 139.5 | 163.3 | -129.4 | 159.6 | -173.3 | -105.6 | 5.9 | 114.1 | | |
| 82 | A | 35.2 | Very low | 36.5 | Very low | 87 Ų | 87 | 136.1 Ų | 136.1 | 72% | 0.719 | 75% | 0.745 | S | S | * | * | | | cis | -166.4 | 168.6 | -1.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 83 | K | 35.5 | Very low | 36.2 | Very low | 181 Ų | 181 | 134.8 Ų | 134.8 | 79% | 0.787 | 75% | 0.748 | S | S | * | * | | | cis | -178.8 | 112.3 | -21.4 | 166.9 | 170.2 | 175 | -175.4 | 0 | 112.5 | | |
| 84 | S | 32 | Very low | 36.4 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 67% | 0.671 | 75% | 0.749 | S | S | * | * | | | trans | 58.2 | 179.3 | 144.6 | 78.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 85 | P | 60.3 | Low | 36.3 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | cis | -126.7 | -158.3 | -7.2 | 47.5 | -31.5 | 0 | 0 | 0 | 111.3 | | |
| 86 | Q | 37.2 | Very low | 36 | Very low | 164 Ų | 164 | 133.5 Ų | 133.5 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | | | cis | -151.8 | 147.7 | -9.7 | -155.4 | -174.9 | -62.4 | 0 | 0 | 111.1 | D88 | Q86-D88 PolarHBondContact NE2-OD2 3.12Š|
| 87 | G | 34.5 | Very low | 35.9 | Very low | 64 Ų | 64 | 136.4 Ų | 136.4 | 66% | 0.66 | 76% | 0.759 | S | S | * | * | | | trans | 79.1 | 164.8 | 132.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 88 | D | 33.4 | Very low | 35.9 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | | | cis | -176 | 151.7 | -14.8 | -100.4 | -43.3 | 0 | 0 | 0 | 109.3 | Q86 | Q86-D88 PolarHBondContact NE2-OD2 3.12Š|
| 89 | T | 39.1 | Very low | 36.1 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 60% | 0.595 | 77% | 0.767 | S | S | * | * | | | cis | -164.2 | 122 | -17.8 | -128.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 90 | W | 32.4 | Very low | 35.8 | Very low | 223 Ų | 223 | 132.7 Ų | 132.7 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | | | trans | 58.8 | 173.2 | 167.6 | -57.1 | 67.6 | 0 | 0 | 0 | 116.2 | | |
| 91 | R | 32.8 | Very low | 36.8 | Very low | 215 Ų | 215 | 134.3 Ų | 134.3 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | | | cis | -143.5 | 165.8 | -3.9 | -122.6 | -179 | -57 | -84.3 | 0.3 | 105 | | |
| 92 | G | 30.7 | Very low | 37.6 | Very low | 73 Ų | 73 | 127.6 Ų | 127.6 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | | | cis | 116.3 | 99.6 | 8.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 93 | G | 31.9 | Very low | 37.7 | Very low | 76 Ų | 76 | 128.6 Ų | 128.6 | 78% | 0.784 | 75% | 0.751 | S | S | * | * | | | trans | 147.8 | 135.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 94 | H | 39.4 | Very low | 37.9 | Very low | 201 Ų | 201 | 129.9 Ų | 129.9 | 93% | 0.931 | 75% | 0.75 | S | S | * | * | | | trans | -87.4 | 158.4 | -177.2 | -41.3 | -90.7 | 0 | 0 | 0 | 113 | | |
| 95 | A | 32.1 | Very low | 38.4 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | | | trans | -144.3 | 158.9 | 157 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 96 | A | 38.8 | Very low | 37.2 | Very low | 93 Ų | 93 | 138.4 Ų | 138.4 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | | | trans | -126.7 | -165.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 97 | E | 30.9 | Very low | 37 | Very low | 167 Ų | 167 | 139.6 Ų | 139.6 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | | | trans | 90.5 | 122.7 | 162.4 | -58.4 | -143.2 | 96.9 | 0 | 0 | 120.1 | | |
| 98 | L | 36.4 | Very low | 36.9 | Very low | 139 Ų | 139 | 141.5 Ų | 141.5 | 73% | 0.728 | 76% | 0.764 | S | S | * | * | | | trans | 61.3 | 107 | 136 | -58.5 | 171.3 | 0 | 0 | 0 | 120 | | |
| 99 | N | 34.6 | Very low | 36.8 | Very low | 173 Ų | 173 | 140.7 Ų | 140.7 | 93% | 0.925 | 77% | 0.767 | S | S | * | * | | | | -151.9 | 160.1 | 105.7 | -111.3 | -76 | 0 | 0 | 0 | 112.3 | | |
| 100 | G | 30.9 | Very low | 36.5 | Very low | 63 Ų | 63 | 140.9 Ų | 140.9 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | | | trans | -117.9 | 177.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 101 | P | 59.9 | Low | 36.5 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | | | trans | -100.7 | 170.7 | -172.3 | 42.7 | -37.9 | 0 | 0 | 0 | 113.2 | | |
| 102 | P | 51 | Low | 36.5 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | | | | -135.5 | -174.5 | 84.2 | 37.9 | -22 | 0 | 0 | 0 | 111.8 | | |
| 103 | D | 37.3 | Very low | 36.4 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 58% | 0.578 | 77% | 0.772 | S | S | * | * | | | cis | -133.1 | 148 | 12.9 | -102.3 | -79.1 | 0 | 0 | 0 | 110.1 | | |
| 104 | R | 40.8 | Very low | 36.2 | Very low | 208 Ų | 208 | 141.3 Ų | 141.3 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | | 48.7 | 138.7 | 89.6 | -46.4 | -169.3 | -166.9 | 125.5 | -12.9 | 114.7 | | |
| 105 | R | 42.4 | Very low | 36 | Very low | 214 Ų | 214 | 140.5 Ų | 140.5 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | | | cis | -160.1 | 136.5 | 11.8 | -147.2 | -176.1 | -170.8 | -163 | 7.2 | 113.2 | | |
| 106 | K | 34.1 | Very low | 35.9 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | | | trans | 45 | 109.5 | 149.5 | -74.5 | -177.3 | 175 | -175.9 | 0 | 121.8 | | |
| 107 | K | 34 | Very low | 35.6 | Very low | 190 Ų | 190 | 141.7 Ų | 141.7 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | | | | 82.3 | 142.3 | 110.5 | -161.4 | 177 | -178 | 178.4 | 0 | 120.1 | | |
| 108 | S | 32.6 | Very low | 35.6 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | 68.4 | 153.2 | 167.4 | 18.4 | 0 | 0 | 0 | 0 | 116.7 | | |
| 109 | S | 30.3 | Very low | 35.4 | Very low | 101 Ų | 101 | 144 Ų | 144 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | cis | -176 | 149.9 | -24 | 47.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 110 | V | 32.5 | Very low | 35.2 | Very low | 102 Ų | 102 | 143.3 Ų | 143.3 | 62% | 0.618 | 76% | 0.76 | S | S | * | * | | | trans | 62.6 | 110.8 | 150.9 | 171.2 | 0 | 0 | 0 | 0 | 118.5 | | |
| 111 | V | 33.2 | Very low | 35.4 | Very low | 136 Ų | 136 | 147.4 Ų | 147.4 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | | | trans | 69.3 | 131.2 | 142.1 | 173.7 | 0 | 0 | 0 | 0 | 120.1 | | |
| 112 | R | 32.1 | Very low | 34.1 | Very low | 233 Ų | 233 | 146 Ų | 146 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | | | trans | -84.3 | 165.9 | 166.1 | -51.8 | 173.3 | 173.6 | 163.1 | -6.3 | 109.5 | | |
| 113 | S | 29.2 | Very low | 33.8 | Very low | 112 Ų | 112 | 144 Ų | 144 | 78% | 0.783 | 74% | 0.739 | S | S | * | * | | | cis | -158.4 | 160.4 | 9.8 | -143.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 114 | S | 28 | Very low | 33.6 | Very low | 114 Ų | 114 | 142.6 Ų | 142.6 | 80% | 0.797 | 73% | 0.732 | S | S | * | * | | | trans | -129.8 | 138.8 | 172.4 | -53.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 115 | Q | 34.5 | Very low | 33.3 | Very low | 185 Ų | 185 | 138.5 Ų | 138.5 | 86% | 0.864 | 72% | 0.716 | S | S | * | * | | | trans | 164.5 | 145.5 | 160.8 | -98.7 | 178.7 | -29.6 | 0 | 0 | 108.2 | | |
| 116 | D | 31 | Very low | 32.8 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 66% | 0.658 | 71% | 0.706 | S | S | * | * | | | cis | -161.3 | 155.5 | -16.5 | -151.3 | -79.2 | 0 | 0 | 0 | 110.2 | | |
| 117 | A | 31.9 | Very low | 32.7 | Very low | 98 Ų | 98 | 132.6 Ų | 132.6 | 81% | 0.81 | 71% | 0.705 | S | S | * | * | | | trans | 171.7 | 112 | 154.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 118 | E | 30.7 | Very low | 32.6 | Very low | 166 Ų | 166 | 132.4 Ų | 132.4 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | | | trans | -89.6 | 144.4 | -178.7 | -60.4 | -179.9 | 84.7 | 0 | 0 | 115.2 | | |
| 119 | Q | 32.5 | Very low | 33 | Very low | 189 Ų | 189 | 133 Ų | 133 | 88% | 0.883 | 71% | 0.708 | S | S | * | * | | | | -178.3 | 105.7 | 128.5 | -98.7 | 150.6 | 98 | 0 | 0 | 109.3 | | |
| 120 | H | 30.5 | Very low | 32.9 | Very low | 159 Ų | 159 | 132.4 Ų | 132.4 | 74% | 0.736 | 71% | 0.709 | S | S | * | * | | | | 81.4 | 84 | 72.3 | -178.6 | -99.3 | 0 | 0 | 0 | 114.2 | | |
| 121 | L | 35.4 | Very low | 32.7 | Very low | 148 Ų | 148 | 132.7 Ų | 132.7 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | | | | -175.7 | 147.2 | 115.3 | -98.7 | 167.8 | 0 | 0 | 0 | 113.1 | | |
| 122 | D | 32.4 | Very low | 32.6 | Very low | 97 Ų | 97 | 135.7 Ų | 135.7 | 52% | 0.519 | 72% | 0.718 | S | S | . | * | | | trans | -121.6 | -171.6 | 178.5 | -111.9 | -38.9 | 0 | 0 | 0 | 110.8 | E334 | D122-E334 WeakPolarHBondContact OD1-CB 3.4Å; D122-E334 WeakPolarHBondContact OD1-CG 3.41Å |
| 123 | P | 44.9 | Very low | 32.6 | Very low | 64 Ų | 64 | 130 Ų | 130 | 42% | 0.416 | 71% | 0.714 | S | S | . | * | | | cis | -141 | -151.1 | 26.5 | 41 | -15.7 | 0 | 0 | 0 | 116.2 | P332 A333 E334 | P123-P332 VanDerWaalsContact CD-CB 3.45Å; P123-A333 CarbonylContact O-C 3.34Å; P123-A333 WeakPolarHBondContact O-CA 3.24Å; P123-A333 WeakPolarHBondContact O-CB 3.32Å; P123-A333 PolarHBondContact O-N 2.72Å; P123-E334 WeakPolarHBondContact CA-OE2 2.89Å; P123-E334 WeakPolarHBondContact CB-OE2 3.06Å; P123-E334 PolarHBondContact O-N 3.38Å |
| 124 | D | 32 | Very low | 32.6 | Very low | 79 Ų | 79 | 134.2 Ų | 134.2 | 42% | 0.422 | 72% | 0.718 | S | S | . | * | B | Isolated β-bridge | trans | -35.1 | 116.5 | -160.4 | -82.2 | -72.9 | 0 | 0 | 0 | 129.6 | A333 E334 V335 | D124-A333 WeakPolarHBondContact O-CB 3.26Å; D124-E334 CarbonylContact C-O 2.81Å; D124-E334 VanDerWaalsContact CA-O 3.23Å; D124-E334 WeakPolarHBondContact CA-O 3.42Å; D124-E334 WeakPolarHBondContact CA-OE2 3.05Å; D124-E334 PolarHBondContact N-OE2 2.99Å; D124-V335 WeakPolarHBondContact OD1-CG2 3.38Å |
| 125 | R | 34.4 | Very low | 33.3 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 46% | 0.457 | 71% | 0.713 | S | S | . | * | | | | 119.3 | 136.5 | 124.8 | -75.8 | 163.7 | -156.7 | -96.3 | -30.3 | 119 | A333 E334 E336 | R125-A333 VanDerWaalsContact N-C 3.27Å; R125-E334 WeakPolarHBondContact CA-O 3.33Å; R125-E334 WeakPolarHBondContact CG-O 3.32Å; R125-E334 PolarHBondContact N-O 3.04Å; R125-E336 IonicContact CZ-OE1 3.25Å; R125-E336 VanDerWaalsContact CZ-OE1 3.25Å; R125-E336 IonicContact CZ-OE2 3.87Å; R125-E336 IonicContact NH1-OE1 2.74Å; R125-E336 PolarHBondContact NH1-OE1 3.49Å; R125-E336 IonicContact NH1-OE2 3.02Å; R125-E336 PolarHBondContact NH1-OE2 2.86Å; R125-E336 IonicContact NH2-OE1 2.95Å; R125-E336 PolarHBondContact NH2-OE1 3.23Å |
| 126 | R | 33.6 | Very low | 33.3 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 60% | 0.6 | 71% | 0.713 | S | S | * | * | | | cis | -172.6 | 155.2 | -0.9 | -169.3 | -173.7 | -142.6 | -164 | 6.3 | 112.1 | E336 | R126-E336 HydrophobicContact CG-CB 4.2Å; R126-E336 IonicContact CZ-OE2 3.3Å; R126-E336 VanDerWaalsContact CZ-OE2 3.3Å; R126-E336 IonicContact NE-OE2 3.18Å; R126-E336 PolarHBondContact NE-OE2 2.93Å; R126-E336 IonicContact NH2-OE2 2.64Å; R126-E336 PolarHBondContact NH2-OE2 2.68Å |
| 127 | S | 31.3 | Very low | 33.2 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | | | trans | 67 | 141.4 | 157.7 | 56.7 | 0 | 0 | 0 | 0 | 123.7 | | |
| 128 | H | 30.8 | Very low | 33.7 | Very low | 186 Ų | 186 | 140.5 Ų | 140.5 | 86% | 0.861 | 72% | 0.716 | S | S | * | * | | | trans | -93.7 | -177 | 167.5 | -49.2 | -73.1 | 0 | 0 | 0 | 111.4 | | |
| 129 | P | 41.8 | Very low | 34.5 | Very low | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 72% | 0.715 | S | S | * | * | | | cis | -140 | 177.2 | 0.3 | 44.3 | -26.5 | 0 | 0 | 0 | 117.9 | | |
| 130 | A | 27.8 | Very low | 34.4 | Very low | 88 Ų | 88 | 132.4 Ų | 132.4 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | | | trans | 68.9 | 126.4 | 143 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 131 | S | 29.6 | Very low | 34.7 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 76% | 0.755 | 70% | 0.696 | S | S | * | * | | | trans | 83 | 108.9 | 140.9 | 74.3 | 0 | 0 | 0 | 0 | 121.8 | | |
| 132 | K | 30 | Very low | 34.9 | Very low | 198 Ų | 198 | 129 Ų | 129 | 86% | 0.861 | 69% | 0.685 | S | S | * | * | | | trans | 44 | 95.4 | 131.4 | -58.6 | -179 | -179.6 | 177.9 | 0 | 118.6 | | |
| 133 | S | 32.9 | Very low | 35.4 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 80% | 0.797 | 69% | 0.688 | S | S | * | * | | | | 134.5 | 157.2 | 98.2 | 70.8 | 0 | 0 | 0 | 0 | 117.9 | | |
| 134 | K | 29.5 | Very low | 34.9 | Very low | 201 Ų | 201 | 135.4 Ų | 135.4 | 87% | 0.874 | 71% | 0.707 | S | S | * | * | | | trans | 95.6 | 141.6 | 149.6 | -148.2 | 164.9 | -171.9 | 171.8 | 0 | 118.7 | | |
| 135 | S | 40.8 | Very low | 35 | Very low | 97 Ų | 97 | 139.8 Ų | 139.8 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | | | trans | -91.8 | 173.3 | -172.3 | 58.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 136 | R | 34.6 | Very low | 35.2 | Very low | 233 Ų | 233 | 137.5 Ų | 137.5 | 88% | 0.879 | 73% | 0.734 | S | S | * | * | | | trans | -128.1 | 122.6 | 162 | -75.9 | -172.5 | -98.4 | -146.6 | -2.9 | 108.1 | | |
| 137 | F | 30.1 | Very low | 35.4 | Very low | 173 Ų | 173 | 136.2 Ų | 136.2 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | | | | 70.9 | 106.6 | 78.9 | -77.5 | -69.3 | 0 | 0 | 0 | 111.5 | | |
| 138 | L | 41.8 | Very low | 35.6 | Very low | 148 Ų | 148 | 141 Ų | 141 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | | | | 81.6 | 160.6 | 86.6 | -82.8 | -156.3 | 0 | 0 | 0 | 113 | | |
| 139 | P | 47.9 | Very low | 35.9 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 74% | 0.74 | 74% | 0.738 | S | S | * | * | | | cis | -148.7 | -177.9 | 37 | 44 | -23.1 | 0 | 0 | 0 | 119.6 | | |
| 140 | G | 31 | Very low | 35.8 | Very low | 71 Ų | 71 | 137.1 Ų | 137.1 | 73% | 0.732 | 73% | 0.731 | S | S | * | * | | | trans | 166.9 | 71.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 141 | D | 36 | Very low | 35.9 | Very low | 93 Ų | 93 | 136.3 Ų | 136.3 | 50% | 0.497 | 73% | 0.731 | S | S | . | * | | | trans | -89 | 176.3 | 175.7 | 172.7 | -128.5 | 0 | 0 | 0 | 113.2 | T470 Q471 Q472 Q473 | D141-T470 CarbonylContact C-O 3.44Å; D141-T470 CarbonylContact O-C 3.21Å; D141-Q471 CarbonylContact O-C 3.32Å; D141-Q471 WeakPolarHBondContact O-CA 3.35Å; D141-Q471 PolarHBondContact O-N 3.03Å; D141-Q472 VanDerWaalsContact C-N 3.32Å; D141-Q472 PolarHBondContact O-N 3.21Å; D141-Q473 PolarHBondContact OD1-N 3.29Å |
| 142 | R | 39.2 | Very low | 36.1 | Very low | 142 Ų | 142 | 133.5 Ų | 133.5 | 54% | 0.536 | 72% | 0.715 | S | S | . | * | B | Isolated β-bridge | trans | -169.6 | 141.2 | 137.1 | -168.6 | 162.3 | -171.3 | 138.7 | 18.3 | 113.6 | T470 Q471 | R142-T470 WeakPolarHBondContact CB-O 3.36Å; R142-Q471 VanDerWaalsContact CB-N 3.34Å; R142-Q471 WeakPolarHBondContact CB-O 3.42Å; R142-Q471 WeakPolarHBondContact CD-O 3.4Å; R142-Q471 WeakPolarHBondContact CG-O 3.43Å |
| 143 | D | 42.7 | Very low | 36.3 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 58% | 0.578 | 70% | 0.703 | S | S | * | * | | | trans | 26 | 125.5 | 159.8 | -71.4 | -59.1 | 0 | 0 | 0 | 118 | | |
| 144 | K | 34.4 | Very low | 36.2 | Very low | 189 Ų | 189 | 131.1 Ų | 131.1 | 82% | 0.822 | 70% | 0.704 | S | S | * | * | | | | -156.1 | 111.3 | 64.2 | -170.4 | 178.6 | -176.5 | -177.4 | 0 | 114.4 | | |
| 145 | M | 33.9 | Very low | 36.3 | Very low | 170 Ų | 170 | 128.6 Ų | 128.6 | 84% | 0.837 | 70% | 0.7 | S | S | * | * | | | trans | 59.7 | 134.7 | 140 | -160.4 | 177.6 | -169.3 | 0 | 0 | 120.5 | | |
| 146 | A | 40.2 | Very low | 35.8 | Very low | 74 Ų | 74 | 129.3 Ų | 129.3 | 61% | 0.612 | 70% | 0.7 | S | S | * | * | | | cis | -171.1 | 148.2 | -22.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 147 | V | 37.9 | Very low | 35.8 | Very low | 131 Ų | 131 | 125.9 Ų | 125.9 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | | | trans | 50 | 131.1 | 134.9 | 177.6 | 0 | 0 | 0 | 0 | 118.7 | | |
| 148 | K | 35.2 | Very low | 35.7 | Very low | 205 Ų | 205 | 121.5 Ų | 121.5 | 89% | 0.891 | 70% | 0.703 | S | S | * | * | | | cis | -155.4 | 164.9 | 24.8 | -137.6 | 158 | -176.7 | 176.8 | 0 | 106 | | |
| 149 | G | 36.3 | Very low | 35.4 | Very low | 57 Ų | 57 | 120.8 Ų | 120.8 | 59% | 0.588 | 71% | 0.705 | S | S | * | * | | | cis | 158.9 | 128.3 | 13.6 | 0 | 0 | 0 | 0 | 0 | 105.7 | | |
| 150 | R | 40.2 | Very low | 34.8 | Very low | 165 Ų | 165 | 123.2 Ų | 123.2 | 62% | 0.623 | 71% | 0.711 | S | S | * | * | | | | 71 | 135.9 | 92.4 | -68.4 | -172.2 | -164.5 | -77 | -3.9 | 116 | P475 P476 Q477 | R150-P475 PolarHBondContact NH2-O 2.84Å; R150-P476 PolarHBondContact NH1-O 3.03Å; R150-Q477 HydrophobicContact CG-CB 4.02Å; R150-Q477 HydrophobicContact CG-CG 4.42Å |
| 151 | G | 30.3 | Very low | 35 | Very low | 71 Ų | 71 | 127.4 Ų | 127.4 | 73% | 0.732 | 72% | 0.715 | S | S | * | * | | | trans | 112.7 | 100.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q477 | G151-Q477 VanDerWaalsContact N-OE1 3.16Š|
| 152 | A | 34.1 | Very low | 35.6 | Very low | 49 Ų | 49 | 128.6 Ų | 128.6 | 41% | 0.405 | 73% | 0.728 | S | S | . | * | | | cis | 84.3 | 87.4 | 25 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 153 | A | 33.2 | Very low | 35.1 | Very low | 75 Ų | 75 | 126 Ų | 126 | 62% | 0.62 | 74% | 0.737 | S | S | * | * | | | trans | 79.3 | 159.4 | 141.6 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 154 | F | 31.9 | Very low | 34.7 | Very low | 187 Ų | 187 | 129.3 Ų | 129.3 | 82% | 0.82 | 75% | 0.754 | S | S | * | * | | | trans | 94.1 | 121.6 | 157 | -64 | -67.6 | 0 | 0 | 0 | 122.3 | | |
| 155 | L | 30.5 | Very low | 34.5 | Very low | 149 Ų | 149 | 125.3 Ų | 125.3 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | | | trans | 94.6 | 148 | 133.1 | -76.4 | 167.6 | 0 | 0 | 0 | 123.8 | | |
| 156 | T | 30.4 | Very low | 35.1 | Very low | 111 Ų | 111 | 122.2 Ų | 122.2 | 68% | 0.681 | 74% | 0.743 | S | S | * | * | | | trans | 73.1 | 113 | 154.7 | 42.7 | 0 | 0 | 0 | 0 | 122.8 | | |
| 157 | N | 33.9 | Very low | 34.8 | Very low | 162 Ų | 162 | 125.8 Ų | 125.8 | 87% | 0.866 | 75% | 0.747 | S | S | * | * | | | | 37.5 | 128.9 | 120.4 | -56.4 | -15.8 | 0 | 0 | 0 | 120.8 | | |
| 158 | G | 29.2 | Very low | 34.5 | Very low | 81 Ų | 81 | 129.3 Ų | 129.3 | 84% | 0.835 | 75% | 0.746 | S | S | * | * | | | trans | -164.6 | 98.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 159 | T | 35.8 | Very low | 34.5 | Very low | 133 Ų | 133 | 128.7 Ų | 128.7 | 82% | 0.816 | 74% | 0.743 | S | S | * | * | | | trans | -84.8 | 142.9 | 176.1 | -49.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 160 | L | 34.2 | Very low | 34.4 | Very low | 164 Ų | 164 | 132.3 Ų | 132.3 | 86% | 0.859 | 75% | 0.754 | S | S | * | * | | | | 162.8 | 142 | 129 | -85.5 | 165.9 | 0 | 0 | 0 | 113.9 | | |
| 161 | L | 35.1 | Very low | 34.3 | Very low | 159 Ų | 159 | 127.4 Ų | 127.4 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | | | trans | -103.5 | -178.9 | 158.6 | -68.8 | 171.4 | 0 | 0 | 0 | 107.8 | | |
| 162 | P | 48.6 | Very low | 34.8 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | | | cis | -126.8 | 178.9 | -10.6 | 40.5 | -26.8 | 0 | 0 | 0 | 113.3 | | |
| 163 | A | 29.3 | Very low | 35 | Very low | 88 Ų | 88 | 132.6 Ų | 132.6 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -179.4 | 127.4 | 134.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 164 | L | 34 | Very low | 35 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 93% | 0.927 | 78% | 0.783 | S | S | * | * | | | trans | 62.6 | 168.7 | 145 | -60.8 | 173 | 0 | 0 | 0 | 120.5 | | |
| 165 | S | 29.9 | Very low | 35.4 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | | | trans | -140.8 | -168.3 | -167.3 | 68.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 166 | P | 47.1 | Very low | 35.6 | Very low | 105 Ų | 105 | 132.5 Ų | 132.5 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | | | cis | -125.1 | 166.6 | -29.6 | 37.1 | -24.6 | 0 | 0 | 0 | 112.1 | | |
| 167 | Q | 33.1 | Very low | 35.8 | Very low | 148 Ų | 148 | 131.5 Ų | 131.5 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | | | | 176.1 | 146.8 | 125.7 | -101.7 | -170.5 | 60.2 | 0 | 0 | 116 | | |
| 168 | R | 32.8 | Very low | 35.9 | Very low | 206 Ų | 206 | 133.4 Ų | 133.4 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | | | trans | 53.5 | 109.6 | 142.7 | -70.5 | -174.1 | 179.4 | 157.1 | -0.4 | 121.7 | | |
| 169 | K | 35.6 | Very low | 36.2 | Very low | 191 Ų | 191 | 132.9 Ų | 132.9 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | | | | 91.1 | 152.7 | 111.5 | -161.1 | 178.9 | -178.7 | -177.6 | 0 | 117.2 | | |
| 170 | V | 33.6 | Very low | 36.1 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | | | trans | 76.9 | 119 | 177.2 | -168.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 171 | G | 37.7 | Very low | 36.3 | Very low | 62 Ų | 62 | 132.5 Ų | 132.5 | 64% | 0.639 | 76% | 0.758 | S | S | * | * | | | trans | -100.5 | -179.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 172 | P | 40.4 | Very low | 36.6 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | | | | -155.5 | 176.2 | 64.8 | 43.3 | -23.6 | 0 | 0 | 0 | 117.8 | | |
| 173 | S | 39.9 | Very low | 36.3 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | | | trans | 27.3 | 118.1 | 145.7 | 63.6 | 0 | 0 | 0 | 0 | 123.6 | | |
| 174 | H | 32.8 | Very low | 36.7 | Very low | 179 Ų | 179 | 133.1 Ų | 133.1 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | | | | -158.1 | 120.1 | 129 | -144 | -94.5 | 0 | 0 | 0 | 105.7 | | |
| 175 | A | 38.9 | Very low | 36.8 | Very low | 73 Ų | 73 | 130.4 Ų | 130.4 | 60% | 0.603 | 75% | 0.752 | S | S | * | * | | | | 72.4 | 92 | 57.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 176 | D | 34.6 | Very low | 37.4 | Very low | 156 Ų | 156 | 131.2 Ų | 131.2 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | | | trans | -152.3 | 174.7 | 142.5 | -119.2 | -38.1 | 0 | 0 | 0 | 111.8 | | |
| 177 | T | 36.3 | Very low | 36.9 | Very low | 90 Ų | 90 | 131.9 Ų | 131.9 | 55% | 0.552 | 76% | 0.763 | S | S | * | * | | | | -145.5 | 156.6 | -119.1 | -41.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 178 | F | 34.3 | Very low | 37.4 | Very low | 202 Ų | 202 | 130.6 Ų | 130.6 | 89% | 0.886 | 77% | 0.77 | S | S | * | * | | | trans | 81.1 | 141 | 165.3 | -58.4 | -65.5 | 0 | 0 | 0 | 121.4 | | |
| 179 | G | 36.4 | Very low | 38.2 | Very low | 70 Ų | 70 | 126.7 Ų | 126.7 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | | | trans | 99 | 134.1 | 156.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 180 | E | 34.3 | Very low | 38.1 | Very low | 174 Ų | 174 | 123.2 Ų | 123.2 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | | | cis | -163.9 | 160.1 | -28.5 | -135.3 | 177.8 | 123.7 | 0 | 0 | 110.8 | | |
| 181 | T | 37.8 | Very low | 38.5 | Very low | 116 Ų | 116 | 122 Ų | 122 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | | | trans | 60.4 | 128.5 | 163.4 | 59.1 | 0 | 0 | 0 | 0 | 121.7 | | |
| 182 | S | 42.3 | Very low | 38.7 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | trans | 37.5 | 124.9 | 136 | -50.7 | 0 | 0 | 0 | 0 | 122.2 | | |
| 183 | S | 41.3 | Very low | 38.8 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | | -167.1 | 177.2 | 100.2 | -121.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 184 | E | 37 | Very low | 38.6 | Very low | 156 Ų | 156 | 132.3 Ų | 132.3 | 73% | 0.729 | 78% | 0.782 | S | S | * | * | | | trans | -66.5 | 150.4 | -176.5 | 60.7 | -94.7 | 53.8 | 0 | 0 | 115.7 | | |
| 185 | S | 36.2 | Very low | 38.7 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | | -179.9 | 156 | 122.8 | -83.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 186 | C | 43.6 | Very low | 38.5 | Very low | 123 Ų | 123 | 142.5 Ų | 142.5 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | | | trans | -72.7 | 147.2 | -179.5 | -52.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 187 | S | 35.4 | Very low | 38.8 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | | 177.5 | 143.8 | 120.6 | -79 | 0 | 0 | 0 | 0 | 112.9 | | |
| 188 | S | 44.6 | Very low | 38.5 | Very low | 122 Ų | 122 | 147.7 Ų | 147.7 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | trans | -76.5 | 151.8 | 162.9 | -49.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 189 | P | 50.3 | Low | 38.7 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | | | trans | -128.5 | 156 | 146.1 | 36.4 | -26.7 | 0 | 0 | 0 | 113.5 | | |
| 190 | S | 32 | Very low | 39.2 | Very low | 118 Ų | 118 | 147.6 Ų | 147.6 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | -83.7 | 168.1 | -178.9 | -56.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 191 | S | 41.7 | Very low | 39.4 | Very low | 107 Ų | 107 | 147.7 Ų | 147.7 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | trans | 2.8 | 124.2 | 158.3 | -52.2 | 0 | 0 | 0 | 0 | 120 | | |
| 192 | P | 43.1 | Very low | 39.7 | Very low | 136 Ų | 136 | 147.6 Ų | 147.6 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | | | trans | -82.3 | 129.8 | 153.7 | 32.9 | -29.8 | 0 | 0 | 0 | 110.9 | | |
| 193 | Q | 41.2 | Very low | 40.2 | Very low | 169 Ų | 169 | 149.4 Ų | 149.4 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | | | trans | -115.7 | 140.9 | 172.6 | -112.9 | -175.5 | -2 | 0 | 0 | 110.9 | | |
| 194 | Y | 36.6 | Very low | 40.4 | Very low | 204 Ų | 204 | 151.6 Ų | 151.6 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | | | trans | 57.2 | 117.4 | 162.7 | -75.9 | -81.2 | 0 | 0 | 0 | 121.9 | | |
| 195 | R | 33.8 | Very low | 41.1 | Very low | 239 Ų | 239 | 150.3 Ų | 150.3 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | | | | -112 | 135.8 | 118.5 | -72 | -175.4 | 175.3 | -169.6 | -0.5 | 106.1 | | |
| 196 | R | 36.2 | Very low | 41.8 | Very low | 226 Ų | 226 | 151.8 Ų | 151.8 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | | | cis | 76.9 | 100.2 | 31.2 | -166.8 | 179.2 | -81.8 | -170.7 | -3.5 | 115.4 | | |
| 197 | R | 39.9 | Very low | 42.3 | Very low | 212 Ų | 212 | 153.7 Ų | 153.7 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | | | trans | -119.1 | 138.8 | 139.2 | -84.4 | -165.4 | -174.3 | -88.8 | 12.7 | 105.5 | | |
| 198 | Q | 31 | Very low | 43.4 | Very low | 143 Ų | 143 | 155 Ų | 155 | 67% | 0.668 | 80% | 0.799 | S | S | * | * | | | | 60.6 | 121.7 | 72 | -68 | 175.5 | -32.1 | 0 | 0 | 111.2 | | |
| 199 | S | 39 | Very low | 43.5 | Very low | 102 Ų | 102 | 154.9 Ų | 154.9 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | | | cis | -156.9 | -168.9 | 3.4 | -73.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 200 | L | 45.7 | Very low | 43.8 | Very low | 168 Ų | 168 | 155 Ų | 155 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | | | trans | 83.7 | 121.6 | 177.2 | -49.2 | 175.5 | 0 | 0 | 0 | 113.2 | | |
| 201 | E | 39.1 | Very low | 44.7 | Very low | 177 Ų | 177 | 157 Ų | 157 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | | | cis | 91.3 | 83.7 | 23.6 | -160.2 | 87.7 | 44.7 | 0 | 0 | 114.1 | | |
| 202 | S | 44.3 | Very low | 45 | Very low | 113 Ų | 113 | 157.3 Ų | 157.3 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | -171.1 | 120.2 | 148 | 57.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 203 | D | 52.7 | Low | 45.5 | Very low | 150 Ų | 150 | 158.8 Ų | 158.8 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | | | trans | -76.4 | -168.2 | 159.7 | -84.6 | -82.4 | 0 | 0 | 0 | 110.3 | | |
| 204 | D | 45.8 | Very low | 45.8 | Very low | 155 Ų | 155 | 156.3 Ų | 156.3 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | | | trans | 70.4 | 147.9 | 175.1 | -92.9 | 12 | 0 | 0 | 0 | 116.9 | | |
| 205 | D | 50.8 | Low | 46.4 | Very low | 130 Ų | 130 | 153.5 Ų | 153.5 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | | | cis | -144.9 | 162.8 | -8.7 | -166.6 | 4.7 | 0 | 0 | 0 | 109.3 | | |
| 206 | N | 52 | Low | 46.7 | Very low | 151 Ų | 151 | 149.9 Ų | 149.9 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | | | trans | -79.5 | 119.1 | 163.5 | -67.5 | -100.3 | 0 | 0 | 0 | 108.5 | | |
| 207 | N | 54.2 | Low | 46.9 | Very low | 163 Ų | 163 | 142.3 Ų | 142.3 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | | | trans | -119.6 | 151.6 | 152.1 | -156.3 | 16 | 0 | 0 | 0 | 112.2 | | |
| 208 | K | 56.5 | Low | 46.6 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 63% | 0.63 | 78% | 0.778 | S | S | * | * | | | trans | -127.3 | 159.5 | -152 | -131.5 | -78.1 | -167.5 | 176 | 0 | 106.7 | | |
| 209 | D | 48.1 | Very low | 47 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 64% | 0.642 | 79% | 0.792 | S | S | * | * | | | trans | 31.6 | 112.1 | 163.7 | -54.7 | -19.1 | 0 | 0 | 0 | 119 | | |
| 210 | S | 56.7 | Low | 46.5 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | | | trans | -153.8 | 71.8 | 151.4 | -77.8 | 0 | 0 | 0 | 0 | 111 | | |
| 211 | D | 49.4 | Very low | 46.2 | Very low | 160 Ų | 160 | 138.4 Ų | 138.4 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | | | trans | -62.9 | 128.6 | 152.1 | -80.8 | -59.3 | 0 | 0 | 0 | 109 | | |
| 212 | S | 48.4 | Very low | 46.1 | Very low | 115 Ų | 115 | 134.4 Ų | 134.4 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -175.3 | 111 | 142.5 | -106.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 213 | H | 53.9 | Low | 46.4 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | trans | -69.6 | 150.7 | 158.7 | -80.1 | -105.5 | 0 | 0 | 0 | 110.2 | | |
| 214 | S | 48.4 | Very low | 45.4 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | -156.3 | 86.5 | 164.1 | -73.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 215 | D | 49.7 | Very low | 44.9 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | | | trans | -77.2 | 117.8 | 168.8 | -74.2 | -96.6 | 0 | 0 | 0 | 110.5 | | |
| 216 | D | 38.6 | Very low | 44.1 | Very low | 163 Ų | 163 | 135.7 Ų | 135.7 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | | | trans | -162.4 | 138.8 | 150.4 | -151.8 | -80.8 | 0 | 0 | 0 | 107.9 | | |
| 217 | G | 40.4 | Very low | 43.7 | Very low | 66 Ų | 66 | 137.6 Ų | 137.6 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | | | cis | 148.5 | 122.9 | -1.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 218 | G | 34.3 | Very low | 42.8 | Very low | 71 Ų | 71 | 136.1 Ų | 136.1 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | | | trans | 167 | 40.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 219 | K | 38.3 | Very low | 41.5 | Very low | 220 Ų | 220 | 139.4 Ų | 139.4 | 96% | 0.957 | 79% | 0.787 | S | S | * | * | | | trans | 69.6 | 148.2 | 164.4 | -50.2 | -174.9 | 177.4 | -171.7 | 0 | 117 | | |
| 220 | G | 29.9 | Very low | 40.5 | Very low | 60 Ų | 60 | 141 Ų | 141 | 62% | 0.619 | 79% | 0.791 | S | S | * | * | | | cis | -174.1 | 175.8 | -3.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 221 | E | 38.3 | Very low | 39.3 | Very low | 193 Ų | 193 | 139.3 Ų | 139.3 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | | | trans | 58.5 | 91.3 | 169.3 | -64.4 | 161.3 | 99.5 | 0 | 0 | 114.8 | | |
| 222 | A | 36.6 | Very low | 38.3 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | cis | 66.8 | 140.9 | 40.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 223 | P | 51.2 | Low | 37.4 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | | | cis | -102.5 | -139.9 | 4.2 | 28.2 | -6.8 | 0 | 0 | 0 | 111 | | |
| 224 | D | 31.3 | Very low | 36.3 | Very low | 132 Ų | 132 | 136 Ų | 136 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | | | cis | -154.3 | -142.3 | 5.6 | -158 | 70.9 | 0 | 0 | 0 | 113.2 | | |
| 225 | L | 37.1 | Very low | 35.3 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | | | trans | -133.9 | 150.4 | -148.7 | -65.6 | 170.2 | 0 | 0 | 0 | 118 | | |
| 226 | F | 33 | Very low | 34.5 | Very low | 197 Ų | 197 | 135.3 Ų | 135.3 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | trans | 56.8 | 164.3 | 141.3 | -80.2 | -62.9 | 0 | 0 | 0 | 124.9 | | |
| 227 | F | 43.4 | Very low | 34.2 | Very low | 190 Ų | 190 | 132 Ų | 132 | 83% | 0.833 | 79% | 0.785 | S | S | * | * | | | trans | -82.4 | 163.5 | 174 | -106.5 | -99.3 | 0 | 0 | 0 | 112.8 | | |
| 228 | T | 35.5 | Very low | 33.7 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | trans | 70.6 | 112.8 | 157.7 | 46.1 | 0 | 0 | 0 | 0 | 121.2 | | |
| 229 | R | 28.2 | Very low | 33.5 | Very low | 214 Ų | 214 | 136.7 Ų | 136.7 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | | | | 116.6 | 116.9 | 128.7 | -158.6 | -172 | -169.7 | -124.9 | 4.8 | 117.9 | | |
| 230 | Q | 28.9 | Very low | 33.4 | Very low | 153 Ų | 153 | 130.6 Ų | 130.6 | 72% | 0.715 | 78% | 0.78 | S | S | * | * | | | trans | 74.9 | 144.3 | 152.4 | -89.6 | 179.7 | -45.7 | 0 | 0 | 122.4 | | |
| 231 | A | 30.5 | Very low | 33.9 | Very low | 91 Ų | 91 | 133.1 Ų | 133.1 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | trans | 85.4 | 95.3 | 145.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 232 | D | 29.5 | Very low | 33.4 | Very low | 157 Ų | 157 | 133 Ų | 133 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | | | | 81.4 | 160.6 | 121.8 | -110.7 | -58.5 | 0 | 0 | 0 | 124.7 | | |
| 233 | C | 27.5 | Very low | 32.9 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | | | trans | 61.7 | 88.6 | 162 | -73.3 | 0 | 0 | 0 | 0 | 122.7 | | |
| 234 | A | 31.2 | Very low | 32.4 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 88% | 0.884 | 78% | 0.781 | S | S | * | * | | | | 60.8 | 129.9 | 113.6 | 0 | 0 | 0 | 0 | 0 | 124.5 | | |
| 235 | G | 28.5 | Very low | 32.4 | Very low | 78 Ų | 78 | 132 Ų | 132 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | 96.8 | 161.3 | 153.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 236 | L | 33.3 | Very low | 32 | Very low | 171 Ų | 171 | 134.2 Ų | 134.2 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | | | cis | -169.2 | 145.9 | -19.4 | 178.8 | 64.3 | 0 | 0 | 0 | 109.2 | | |
| 237 | A | 30.7 | Very low | 32 | Very low | 92 Ų | 92 | 130.9 Ų | 130.9 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | | | trans | 65 | 163 | 163.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 238 | D | 30.3 | Very low | 31.3 | Very low | 154 Ų | 154 | 127.2 Ų | 127.2 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | | | cis | -167.4 | 175.1 | -31.2 | -176.7 | -136.6 | 0 | 0 | 0 | 109.8 | | |
| 239 | A | 30.7 | Very low | 31.2 | Very low | 83 Ų | 83 | 125.8 Ų | 125.8 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | | | trans | 84.6 | 116.5 | 156.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 240 | A | 34.9 | Very low | 32.2 | Very low | 91 Ų | 91 | 121.2 Ų | 121.2 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | trans | -89.4 | -173.5 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 241 | P | 41.6 | Very low | 32.3 | Very low | 113 Ų | 113 | 124 Ų | 124 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | | | | -158.7 | 173.2 | 98.8 | 39.6 | -19.4 | 0 | 0 | 0 | 119 | | |
| 242 | Q | 28.5 | Very low | 32.5 | Very low | 191 Ų | 191 | 126.9 Ų | 126.9 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | | | trans | 88.3 | 129.8 | 156.5 | -45.1 | -162 | 5.1 | 0 | 0 | 121.4 | | |
| 243 | G | 25.2 | Very low | 32.8 | Very low | 67 Ų | 67 | 124.1 Ų | 124.1 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | | | trans | -93.4 | -145.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 244 | P | 41.4 | Very low | 33.2 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | | | cis | -119.5 | -169.5 | 17.7 | 10.4 | 16.4 | 0 | 0 | 0 | 112.6 | | |
| 245 | D | 29.7 | Very low | 33.4 | Very low | 137 Ų | 137 | 127.1 Ų | 127.1 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | | | cis | 176.9 | 176.2 | -36.8 | -107.5 | -62.7 | 0 | 0 | 0 | 108.3 | | |
| 246 | F | 30.4 | Very low | 33.8 | Very low | 175 Ų | 175 | 128 Ų | 128 | 77% | 0.768 | 77% | 0.772 | S | S | * | * | | | trans | 102.8 | 91.9 | 157.4 | -56.9 | -66.8 | 0 | 0 | 0 | 120.9 | | |
| 247 | T | 31.3 | Very low | 33.7 | Very low | 127 Ų | 127 | 125.9 Ų | 125.9 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | | | | 46.3 | 155.2 | 118.8 | 19.7 | 0 | 0 | 0 | 0 | 122.2 | | |
| 248 | S | 30 | Very low | 33.9 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | | | cis | -159.3 | -179.2 | 15.5 | 46.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 249 | S | 34 | Very low | 34.2 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | | | trans | -132.1 | 153.2 | 170.1 | 170 | 0 | 0 | 0 | 0 | 110.4 | | |
| 250 | P | 47.5 | Very low | 34.6 | Very low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | | | trans | -143.1 | 113 | 143.2 | 34.2 | -16.9 | 0 | 0 | 0 | 116.3 | | |
| 251 | Y | 32.7 | Very low | 34.6 | Very low | 211 Ų | 211 | 134.1 Ų | 134.1 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | | | | 50.8 | 143.7 | 113.8 | -100.6 | -86 | 0 | 0 | 0 | 125 | | |
| 252 | L | 33.2 | Very low | 34.1 | Very low | 151 Ų | 151 | 132.5 Ų | 132.5 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | | | trans | 79 | 156.4 | 162 | -57.4 | 174.5 | 0 | 0 | 0 | 118.9 | | |
| 253 | P | 37.2 | Very low | 34.4 | Very low | 100 Ų | 100 | 128 Ų | 128 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | | | cis | -135.6 | 159.4 | -47.7 | 38.6 | -24.3 | 0 | 0 | 0 | 113.9 | | |
| 254 | P | 35.3 | Very low | 35.1 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 126.3 | 174.1 | 32.5 | -32.3 | 0 | 0 | 0 | 112.7 | | |
| 255 | L | 36 | Very low | 34.7 | Very low | 163 Ų | 163 | 132 Ų | 132 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 138.8 | 172.6 | -71.2 | 173.7 | 0 | 0 | 0 | 111.9 | | |
| 256 | A | 35.4 | Very low | 35.2 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 128.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 257 | C | 31.4 | Very low | 35.4 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 119.8 | 167.9 | -70.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 258 | L | 34.8 | Very low | 35.7 | Very low | 162 Ų | 162 | 127.9 Ų | 127.9 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 149.7 | 179.4 | -69.3 | 167 | 0 | 0 | 0 | 111.4 | P260 | L258-P260 WeakPolarHBondContact O-CD 3.38Š|
| 259 | L | 36.4 | Very low | 36.4 | Very low | 153 Ų | 153 | 128.4 Ų | 128.4 | 80% | 0.801 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -83 | 125 | 170.5 | -131 | 76.6 | 0 | 0 | 0 | 110 | | |
| 260 | P | 40.5 | Very low | 36.3 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | | | trans | -95.5 | 101.6 | 164.4 | 5.3 | 15.6 | 0 | 0 | 0 | 109.5 | L258 | L258-P260 WeakPolarHBondContact O-CD 3.38Š|
| 261 | N | 34.9 | Very low | 35.6 | Very low | 156 Ų | 156 | 129.3 Ų | 129.3 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | | | trans | -77.8 | 128.1 | 155.7 | -79.4 | -33.3 | 0 | 0 | 0 | 107.6 | | |
| 262 | G | 30.8 | Very low | 35.6 | Very low | 79 Ų | 79 | 128.7 Ų | 128.7 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | | | trans | 176.7 | 98 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 263 | A | 34.4 | Very low | 36 | Very low | 98 Ų | 98 | 127 Ų | 127 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | trans | -106.1 | 147.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 264 | P | 40.9 | Very low | 36.4 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | | | trans | -130.8 | 145.3 | 138.2 | 36.1 | -27.4 | 0 | 0 | 0 | 112.3 | | |
| 265 | D | 32.4 | Very low | 36.8 | Very low | 145 Ų | 145 | 127.8 Ų | 127.8 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | | | trans | -70.8 | 147.6 | 179.4 | -58.8 | -94.8 | 0 | 0 | 0 | 113.9 | | |
| 266 | P | 39.3 | Very low | 36.7 | Very low | 126 Ų | 126 | 124.8 Ų | 124.8 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -80.8 | 110.1 | 152.4 | 32.3 | -28 | 0 | 0 | 0 | 109.8 | A268 | P266-A268 PolarHBondContact O-N 3.34Š|
| 267 | V | 35.9 | Very low | 36.4 | Very low | 137 Ų | 137 | 123.7 Ų | 123.7 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | | | trans | -64.3 | 131.9 | 176.6 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 268 | A | 36 | Very low | 36.9 | Very low | 89 Ų | 89 | 123 Ų | 123 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | | | trans | -119.6 | 131.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | P266 | P266-A268 PolarHBondContact O-N 3.34Š|
| 269 | P | 46.4 | Very low | 36.8 | Very low | 124 Ų | 124 | 120.1 Ų | 120.1 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | | | trans | -82.6 | 129 | -175.1 | 31.1 | -33.9 | 0 | 0 | 0 | 113.8 | | |
| 270 | D | 31.8 | Very low | 36.6 | Very low | 169 Ų | 169 | 116 Ų | 116 | 90% | 0.904 | 76% | 0.764 | S | S | * | * | | | trans | 8.6 | 142.8 | 145.5 | -145.7 | -96.3 | 0 | 0 | 0 | 121.7 | | |
| 271 | G | 32.5 | Very low | 36.2 | Very low | 70 Ų | 70 | 115.5 Ų | 115.5 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | | | trans | 152.8 | 108.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 272 | K | 31 | Very low | 36.4 | Very low | 199 Ų | 199 | 112.3 Ų | 112.3 | 87% | 0.865 | 75% | 0.745 | S | S | * | * | | | trans | -154.6 | 167 | 171.2 | -121.8 | -171.2 | 171 | 178.1 | 0 | 108 | | |
| 273 | P | 42.7 | Very low | 36.5 | Very low | 114 Ų | 114 | 114.2 Ų | 114.2 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | | | cis | -129.9 | -170.8 | 2.6 | 44.1 | -26 | 0 | 0 | 0 | 113.5 | | |
| 274 | P | 45.6 | Very low | 36.7 | Very low | 110 Ų | 110 | 116 Ų | 116 | 71% | 0.714 | 74% | 0.743 | S | S | * | * | | | trans | -103.1 | 175.4 | -173.9 | 40.6 | -34.6 | 0 | 0 | 0 | 114.1 | | |
| 275 | P | 43.2 | Very low | 37 | Very low | 122 Ų | 122 | 115.9 Ų | 115.9 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | | | trans | -114.3 | 172.3 | 144.2 | 37.1 | -29.3 | 0 | 0 | 0 | 112.5 | | |
| 276 | A | 34.5 | Very low | 36.9 | Very low | 100 Ų | 100 | 112 Ų | 112 | 83% | 0.826 | 74% | 0.738 | S | S | * | * | | | trans | -75.5 | 166.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 277 | G | 29.4 | Very low | 36.8 | Very low | 72 Ų | 72 | 113.6 Ų | 113.6 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | | | trans | -77.4 | -146.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 278 | P | 41.6 | Very low | 36.6 | Very low | 114 Ų | 114 | 114 Ų | 114 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | | | cis | -142.1 | -162.1 | 35.4 | 28 | -0.5 | 0 | 0 | 0 | 114.1 | | |
| 279 | L | 31.8 | Very low | 36.4 | Very low | 102 Ų | 102 | 113 Ų | 113 | 53% | 0.534 | 74% | 0.738 | S | S | . | * | | | trans | 73.7 | 66 | 154 | -45.9 | -175.5 | 0 | 0 | 0 | 120.3 | P425 | L279-P425 HydrophobicContact CB-CB 3.8Å; L279-P425 HydrophobicContact CB-CG 3.98Å; L279-P425 HydrophobicContact CD1-CG 4.04Å; L279-P425 HydrophobicContact CD2-CB 3.95Å; L279-P425 HydrophobicContact CD2-CG 3.64Å; L279-P425 HydrophobicContact CG-CB 4.3Å; L279-P425 HydrophobicContact CG-CG 4.02Å |
| 280 | S | 32.3 | Very low | 35.7 | Very low | 66 Ų | 66 | 114.4 Ų | 114.4 | 46% | 0.462 | 74% | 0.739 | S | S | . | * | | | | 41.9 | 144 | 111.4 | -107.8 | 0 | 0 | 0 | 0 | 121.9 | P425 G426 | S280-P425 WeakPolarHBondContact O-CA 3.3Å; S280-G426 CarbonylContact C-O 3.21Å; S280-G426 WeakPolarHBondContact CB-O 3.49Å; S280-G426 PolarHBondContact O-N 2.9Å; S280-G426 PolarHBondContact OG-O 3.4Å |
| 281 | V | 33.7 | Very low | 36.8 | Very low | 110 Ų | 110 | 110.8 Ų | 110.8 | 67% | 0.667 | 73% | 0.725 | S | S | * | * | | | trans | -174.7 | 154 | 154.5 | 132.2 | 0 | 0 | 0 | 0 | 112.9 | S424 G426 | V281-S424 WeakPolarHBondContact CG2-O 3.12Å; V281-G426 PolarHBondContact N-O 3.4Å; V281-G426 VanDerWaalsContact N-O 3.11Å |
| 282 | V | 38.6 | Very low | 36.8 | Very low | 90 Ų | 90 | 114.1 Ų | 114.1 | 55% | 0.545 | 72% | 0.721 | S | S | . | * | | | trans | -97.1 | 142.9 | -176.3 | 176.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 283 | P | 32.5 | Very low | 36.8 | Very low | 119 Ų | 119 | 111.8 Ų | 111.8 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | | | trans | -107.7 | 121.3 | 162.4 | 34.9 | -25.6 | 0 | 0 | 0 | 113.4 | | |
| 284 | T | 39.2 | Very low | 36.6 | Very low | 134 Ų | 134 | 116.5 Ų | 116.5 | 82% | 0.822 | 71% | 0.714 | S | S | * | * | | | trans | -91.2 | 136.7 | 164 | -37.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 285 | P | 45.9 | Very low | 35.8 | Very low | 121 Ų | 121 | 117.6 Ų | 117.6 | 79% | 0.786 | 71% | 0.71 | S | S | * | * | | | trans | -98 | 149.4 | 174.7 | 35.7 | -32.4 | 0 | 0 | 0 | 113.6 | | |
| 286 | G | 32.1 | Very low | 35.3 | Very low | 65 Ų | 65 | 117.2 Ų | 117.2 | 67% | 0.67 | 71% | 0.705 | S | S | * | * | | | trans | 112.4 | 95.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 287 | I | 35.7 | Very low | 35.2 | Very low | 159 Ų | 159 | 119.6 Ų | 119.6 | 82% | 0.815 | 70% | 0.703 | S | S | * | * | | | | 65.4 | 94.3 | 69.8 | -56.5 | 172.1 | 0 | 0 | 0 | 109.8 | | |
| 288 | V | 33.3 | Very low | 35.3 | Very low | 144 Ų | 144 | 121.7 Ų | 121.7 | 87% | 0.873 | 70% | 0.702 | S | S | * | * | | | | 66 | 117 | 79.9 | 174.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 289 | G | 31.5 | Very low | 34.7 | Very low | 68 Ų | 68 | 121.5 Ų | 121.5 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | | | cis | -176.8 | 168.2 | -3.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 290 | D | 31.9 | Very low | 34.8 | Very low | 155 Ų | 155 | 126.8 Ų | 126.8 | 83% | 0.829 | 72% | 0.718 | S | S | * | * | | | trans | 4.6 | 152.1 | 131.9 | -159.2 | -123.2 | 0 | 0 | 0 | 118.6 | | |
| 291 | P | 55.1 | Low | 34.6 | Very low | 93 Ų | 93 | 127.6 Ų | 127.6 | 60% | 0.604 | 74% | 0.737 | S | S | * | * | | | cis | -120.2 | -156.1 | 6.9 | 16.9 | 11.1 | 0 | 0 | 0 | 112.5 | | |
| 292 | E | 30.5 | Very low | 34.5 | Very low | 139 Ų | 139 | 126 Ų | 126 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | | | cis | -153.2 | 143.8 | 13.9 | -17.5 | -169 | 65.7 | 0 | 0 | 118.3 | | |
| 293 | K | 33 | Very low | 34.7 | Very low | 151 Ų | 151 | 128 Ų | 128 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | | | trans | 44.5 | 127.2 | 136.8 | 80.2 | -151 | 165.9 | -163.1 | 0 | 125.1 | | |
| 294 | R | 37.6 | Very low | 35.1 | Very low | 212 Ų | 212 | 127.9 Ų | 127.9 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | | | trans | 75.3 | 152.2 | 139.1 | 105.7 | 177.3 | -63.5 | -139.6 | -1.5 | 119.5 | | |
| 295 | E | 28.9 | Very low | 34.7 | Very low | 134 Ų | 134 | 130.1 Ų | 130.1 | 63% | 0.626 | 76% | 0.762 | S | S | * | * | | | cis | -169.8 | 153.1 | -18.1 | -116.3 | -177.4 | 126.9 | 0 | 0 | 110.9 | | |
| 296 | V | 33.2 | Very low | 33.8 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | | | trans | 59.7 | 109.8 | 142.8 | 177.5 | 0 | 0 | 0 | 0 | 121.5 | | |
| 297 | L | 31.9 | Very low | 33.9 | Very low | 150 Ų | 150 | 133.1 Ų | 133.1 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | trans | 64 | 106.7 | 142.2 | -61.3 | 173.1 | 0 | 0 | 0 | 123.4 | | |
| 298 | T | 30.5 | Very low | 33.7 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | | | | 51.1 | 120 | 119.6 | -32.5 | 0 | 0 | 0 | 0 | 121.5 | | |
| 299 | T | 29.7 | Very low | 33.4 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | | | | 164.1 | 135 | 114.7 | -70.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 300 | F | 34.2 | Very low | 33.6 | Very low | 212 Ų | 212 | 135.1 Ų | 135.1 | 93% | 0.93 | 76% | 0.758 | S | S | * | * | | | trans | 52.8 | 132.1 | 165.6 | -75.4 | -56 | 0 | 0 | 0 | 122.6 | | |
| 301 | G | 27.9 | Very low | 33.4 | Very low | 84 Ų | 84 | 134.7 Ų | 134.7 | 87% | 0.866 | 76% | 0.76 | S | S | * | * | | | trans | 113.4 | 116.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 302 | G | 32 | Very low | 32.1 | Very low | 76 Ų | 76 | 133.8 Ų | 133.8 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | | | trans | -115.1 | -165.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 303 | P | 42.2 | Very low | 31.9 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | | | cis | -117.3 | 179.4 | 2.3 | 41.8 | -28.8 | 0 | 0 | 0 | 113.8 | | |
| 304 | P | 42.1 | Very low | 31.5 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | | | trans | -105.1 | 154.6 | -165 | 38.5 | -34.1 | 0 | 0 | 0 | 116.8 | | |
| 305 | L | 30.7 | Very low | 31.1 | Very low | 181 Ų | 181 | 124.1 Ų | 124.1 | 95% | 0.948 | 79% | 0.787 | S | S | * | * | | | trans | -150.5 | 98.6 | 161.5 | -77.6 | -177.8 | 0 | 0 | 0 | 113 | | |
| 306 | A | 26.6 | Very low | 31.3 | Very low | 90 Ų | 90 | 125.9 Ų | 125.9 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | | | trans | -176.2 | 136.4 | 158.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 307 | L | 32.6 | Very low | 32 | Very low | 159 Ų | 159 | 125.7 Ų | 125.7 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | cis | 68.8 | 130.9 | 33.9 | -52.7 | -174.6 | 0 | 0 | 0 | 112.5 | | |
| 308 | H | 31.6 | Very low | 31.8 | Very low | 141 Ų | 141 | 125.7 Ų | 125.7 | 65% | 0.653 | 80% | 0.797 | S | S | * | * | | | cis | -159.5 | 173.1 | 14.7 | -154.2 | -95.5 | 0 | 0 | 0 | 112.3 | | |
| 309 | H | 28.4 | Very low | 32 | Very low | 162 Ų | 162 | 125.9 Ų | 125.9 | 75% | 0.75 | 80% | 0.798 | S | S | * | * | | | trans | 81.3 | 110.1 | 162.8 | -60.1 | -74.2 | 0 | 0 | 0 | 123.3 | | |
| 310 | S | 35.5 | Very low | 32 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | | | | 79.4 | 161.3 | 126 | -147 | 0 | 0 | 0 | 0 | 122.2 | | |
| 311 | V | 27.4 | Very low | 31.9 | Very low | 145 Ų | 145 | 129 Ų | 129 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | | | trans | 72.6 | 142.4 | 176.5 | -172.8 | 0 | 0 | 0 | 0 | 116.5 | | |
| 312 | G | 27.7 | Very low | 32 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | trans | 115.7 | 119.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 313 | G | 25.8 | Very low | 31.9 | Very low | 86 Ų | 86 | 138.6 Ų | 138.6 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | | | trans | -110.8 | 161 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 314 | G | 25.9 | Very low | 31.4 | Very low | 77 Ų | 77 | 138.8 Ų | 138.8 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | | | trans | 170.3 | 94.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 315 | V | 29.3 | Very low | 30.7 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -17 | 128.8 | 163.4 | -77.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 316 | Q | 32.5 | Very low | 30.7 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | 68.2 | 172.9 | 136.8 | -62.4 | -76.1 | 16.4 | 0 | 0 | 117.6 | | |
| 317 | P | 46.8 | Very low | 31.6 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | | | cis | -133.2 | -179.7 | -0.6 | 45.6 | -30.4 | 0 | 0 | 0 | 116.7 | | |
| 318 | L | 29.5 | Very low | 31.5 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | | | trans | 74 | 95.6 | 140.2 | -147.5 | 70.4 | 0 | 0 | 0 | 122.5 | | |
| 319 | V | 33 | Very low | 31.4 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | | | | 40.6 | 120.2 | 128.4 | -175.7 | 0 | 0 | 0 | 0 | 120.2 | | |
| 320 | Q | 31.3 | Very low | 31.4 | Very low | 186 Ų | 186 | 133.7 Ų | 133.7 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | | | | -149.4 | 158.9 | 129.8 | -118.1 | 172.6 | 29.8 | 0 | 0 | 114.3 | | |
| 321 | R | 30.9 | Very low | 30.9 | Very low | 202 Ų | 202 | 131.9 Ų | 131.9 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | -79.3 | 174.6 | 175 | -61.9 | 169.6 | 170.4 | 136.2 | -7.1 | 108.7 | | |
| 322 | F | 30.5 | Very low | 31.4 | Very low | 167 Ų | 167 | 129.5 Ų | 129.5 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | | | cis | -161.7 | 144.1 | 36.2 | -65.8 | -95.9 | 0 | 0 | 0 | 114 | | |
| 323 | K | 30.4 | Very low | 31.4 | Very low | 193 Ų | 193 | 128.8 Ų | 128.8 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | | | | 41.9 | 124.5 | 125.1 | -161.4 | -170.2 | -176.6 | -177 | 0 | 121.3 | | |
| 324 | T | 31.4 | Very low | 31.4 | Very low | 135 Ų | 135 | 127.9 Ų | 127.9 | 83% | 0.828 | 72% | 0.722 | S | S | * | * | | | | 151.9 | 137.5 | 124 | -61.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 325 | G | 27.4 | Very low | 31.5 | Very low | 63 Ų | 63 | 127.2 Ų | 127.2 | 65% | 0.649 | 70% | 0.703 | S | S | * | * | | | cis | 160.2 | 147.7 | -12.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 326 | L | 30.1 | Very low | 31.5 | Very low | 166 Ų | 166 | 124.9 Ų | 124.9 | 87% | 0.869 | 68% | 0.683 | S | S | * | * | | | trans | 63.2 | 169.1 | 169.3 | -94.1 | 63.2 | 0 | 0 | 0 | 118.2 | | |
| 327 | P | 45.2 | Very low | 31.2 | Very low | 115 Ų | 115 | 122.8 Ų | 122.8 | 75% | 0.747 | 68% | 0.682 | S | S | * | * | | | cis | -97.1 | 160.2 | -9.5 | 1.2 | 22.6 | 0 | 0 | 0 | 113.3 | | |
| 328 | H | 30.5 | Very low | 31.2 | Very low | 151 Ų | 151 | 122.5 Ų | 122.5 | 70% | 0.699 | 68% | 0.68 | S | S | * | * | | | | 66 | 133.8 | 69.6 | -135.2 | 62.2 | 0 | 0 | 0 | 112.6 | | |
| 329 | S | 29.7 | Very low | 31.3 | Very low | 85 Ų | 85 | 122.5 Ų | 122.5 | 59% | 0.594 | 68% | 0.68 | S | S | * | * | | | cis | -150 | 151.2 | 30.8 | -44.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 330 | Q | 28.6 | Very low | 31.3 | Very low | 164 Ų | 164 | 126.7 Ų | 126.7 | 77% | 0.766 | 68% | 0.683 | S | S | * | * | | | trans | 49.1 | 133 | 136.1 | -61 | 166.8 | -73 | 0 | 0 | 122.6 | | |
| 331 | G | 24.7 | Very low | 31.2 | Very low | 72 Ų | 72 | 122 Ų | 122 | 74% | 0.742 | 68% | 0.676 | S | S | * | * | | | trans | -82.2 | -131.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 332 | P | 39.2 | Very low | 31.3 | Very low | 96 Ų | 96 | 120.6 Ų | 120.6 | 62% | 0.623 | 68% | 0.682 | S | S | * | * | | | cis | -135 | -146.9 | 7.2 | 20 | 9.6 | 0 | 0 | 0 | 113.4 | P123 | P123-P332 VanDerWaalsContact CD-CB 3.45Š|
| 333 | A | 27.7 | Very low | 31.3 | Very low | 59 Ų | 59 | 116.2 Ų | 116.2 | 49% | 0.488 | 68% | 0.684 | S | S | . | * | | | trans | 160.6 | 67.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 123.4 | P123 D124 R125 | P123-A333 CarbonylContact O-C 3.34Å; P123-A333 WeakPolarHBondContact O-CA 3.24Å; P123-A333 WeakPolarHBondContact O-CB 3.32Å; P123-A333 PolarHBondContact O-N 2.72Å; D124-A333 WeakPolarHBondContact O-CB 3.26Å; R125-A333 VanDerWaalsContact N-C 3.27Å |
| 334 | E | 24.8 | Very low | 31.3 | Very low | 67 Ų | 67 | 112.1 Ų | 112.1 | 31% | 0.313 | 68% | 0.68 | S | S | . | * | B | Isolated β-bridge | trans | -109.7 | 173.9 | -167.3 | 143.1 | -95.9 | -168.6 | 0 | 0 | 122.5 | D122 P123 D124 R125 | D122-E334 WeakPolarHBondContact OD1-CB 3.4Å; D122-E334 WeakPolarHBondContact OD1-CG 3.41Å; P123-E334 WeakPolarHBondContact CA-OE2 2.89Å; P123-E334 WeakPolarHBondContact CB-OE2 3.06Å; P123-E334 PolarHBondContact O-N 3.38Å; D124-E334 CarbonylContact C-O 2.81Å; D124-E334 VanDerWaalsContact CA-O 3.23Å; D124-E334 WeakPolarHBondContact CA-O 3.42Å; D124-E334 WeakPolarHBondContact CA-OE2 3.05Å; D124-E334 PolarHBondContact N-OE2 2.99Å; R125-E334 WeakPolarHBondContact CA-O 3.33Å; R125-E334 WeakPolarHBondContact CG-O 3.32Å; R125-E334 PolarHBondContact N-O 3.04Å |
| 335 | V | 28 | Very low | 31.5 | Very low | 63 Ų | 63 | 114.1 Ų | 114.1 | 38% | 0.382 | 68% | 0.684 | S | S | . | * | | | trans | 64.6 | 122.3 | 173.7 | -135.7 | 0 | 0 | 0 | 0 | 120.1 | D124 | D124-V335 WeakPolarHBondContact OD1-CG2 3.38Š|
| 336 | E | 28.6 | Very low | 31.8 | Very low | 87 Ų | 87 | 115.6 Ų | 115.6 | 41% | 0.407 | 68% | 0.684 | S | S | . | * | | | | 164.3 | 110.1 | 107.2 | -99.5 | -172.2 | -178.4 | 0 | 0 | 114.6 | R125 R126 | R125-E336 IonicContact CZ-OE1 3.25Å; R125-E336 VanDerWaalsContact CZ-OE1 3.25Å; R125-E336 IonicContact CZ-OE2 3.87Å; R125-E336 IonicContact NH1-OE1 2.74Å; R125-E336 PolarHBondContact NH1-OE1 3.49Å; R125-E336 IonicContact NH1-OE2 3.02Å; R125-E336 PolarHBondContact NH1-OE2 2.86Å; R125-E336 IonicContact NH2-OE1 2.95Å; R125-E336 PolarHBondContact NH2-OE1 3.23Å; R126-E336 HydrophobicContact CG-CB 4.2Å; R126-E336 IonicContact CZ-OE2 3.3Å; R126-E336 VanDerWaalsContact CZ-OE2 3.3Å; R126-E336 IonicContact NE-OE2 3.18Å; R126-E336 PolarHBondContact NE-OE2 2.93Å; R126-E336 IonicContact NH2-OE2 2.64Å; R126-E336 PolarHBondContact NH2-OE2 2.68Å |
| 337 | T | 27.5 | Very low | 32.4 | Very low | 127 Ų | 127 | 112.8 Ų | 112.8 | 78% | 0.779 | 68% | 0.676 | S | S | * | * | | | trans | -69.5 | 175 | 149.2 | 30.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 338 | P | 46.3 | Very low | 31.8 | Very low | 104 Ų | 104 | 110.3 Ų | 110.3 | 68% | 0.675 | 67% | 0.672 | S | S | * | * | | | cis | -151.1 | -168.7 | 31.4 | 44.6 | -22.7 | 0 | 0 | 0 | 118.6 | | |
| 339 | L | 31 | Very low | 32.8 | Very low | 148 Ų | 148 | 109.4 Ų | 109.4 | 78% | 0.775 | 68% | 0.679 | S | S | * | * | | | trans | 75.5 | 143.3 | 159.3 | -70.4 | 175 | 0 | 0 | 0 | 117.8 | | |
| 340 | R | 32.8 | Very low | 34.3 | Very low | 211 Ų | 211 | 111.1 Ų | 111.1 | 80% | 0.796 | 69% | 0.688 | S | S | * | * | | | cis | -159.6 | 129.3 | 1 | 180 | -168.2 | -66.1 | -177.8 | -0.5 | 112.4 | | |
| 341 | A | 29.6 | Very low | 34.3 | Very low | 87 Ų | 87 | 108 Ų | 108 | 72% | 0.719 | 69% | 0.69 | S | S | * | * | | | trans | 50 | 157.5 | 153.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 342 | L | 33.4 | Very low | 34.6 | Very low | 172 Ų | 172 | 115.1 Ų | 115.1 | 90% | 0.901 | 70% | 0.696 | S | S | * | * | | | cis | -145.2 | 142.7 | 23.1 | -81.7 | 164 | 0 | 0 | 0 | 112.3 | | |
| 343 | G | 29.7 | Very low | 34 | Very low | 75 Ų | 75 | 115.9 Ų | 115.9 | 77% | 0.773 | 70% | 0.704 | S | S | * | * | | | trans | 64.8 | 160.5 | 157.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 344 | S | 31.8 | Very low | 34.4 | Very low | 108 Ų | 108 | 118.5 Ų | 118.5 | 76% | 0.755 | 72% | 0.718 | S | S | * | * | | | cis | -172 | 142.6 | -25.6 | 41.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 345 | I | 34.8 | Very low | 35.5 | Very low | 176 Ų | 176 | 121.2 Ų | 121.2 | 90% | 0.903 | 74% | 0.742 | S | S | * | * | | | trans | 61.7 | 145.1 | 177.9 | 37.1 | -179.1 | 0 | 0 | 0 | 118.3 | | |
| 346 | S | 33.9 | Very low | 35.5 | Very low | 94 Ų | 94 | 123.6 Ų | 123.6 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | | | trans | -157 | 163 | -167.1 | -174.7 | 0 | 0 | 0 | 0 | 105.4 | | |
| 347 | P | 43.8 | Very low | 35.8 | Very low | 107 Ų | 107 | 126.1 Ų | 126.1 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | | | cis | -121.6 | -176 | 19.2 | 21.4 | 5 | 0 | 0 | 0 | 113.3 | | |
| 348 | G | 31.4 | Very low | 36.4 | Very low | 64 Ų | 64 | 125.6 Ų | 125.6 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | | | cis | 121.4 | 114.6 | 9.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 349 | P | 51.8 | Low | 35.4 | Very low | 131 Ų | 131 | 124.9 Ų | 124.9 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | | | trans | -100.7 | -140.3 | -164.7 | 40.4 | -34.9 | 0 | 0 | 0 | 115.3 | | |
| 350 | P | 60.3 | Low | 35.2 | Very low | 121 Ų | 121 | 125.9 Ų | 125.9 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | | | | -111.8 | 167.9 | -121.9 | 41.6 | -27.3 | 0 | 0 | 0 | 116 | | |
| 351 | A | 30.5 | Very low | 34.8 | Very low | 98 Ų | 98 | 124 Ų | 124 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | | | trans | -172.9 | 147.1 | 146.6 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 352 | Y | 29.8 | Very low | 35.4 | Very low | 223 Ų | 223 | 124.6 Ų | 124.6 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | | | trans | -3.8 | 148.2 | 153.1 | -81.5 | -94.4 | 0 | 0 | 0 | 125.6 | | |
| 353 | S | 27.5 | Very low | 35.1 | Very low | 111 Ų | 111 | 121.2 Ų | 121.2 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | | | trans | 85.5 | 139.2 | 138.3 | -67.9 | 0 | 0 | 0 | 0 | 123.7 | | |
| 354 | S | 35.8 | Very low | 35.2 | Very low | 114 Ų | 114 | 125.1 Ų | 125.1 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | | | trans | -77.1 | -173.1 | 169.2 | -22.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 355 | P | 47.6 | Very low | 35.3 | Very low | 124 Ų | 124 | 124.3 Ų | 124.3 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | | | cis | -139.5 | -175.5 | 17.1 | 44.5 | -26.2 | 0 | 0 | 0 | 116.4 | | |
| 356 | S | 28 | Very low | 35.9 | Very low | 113 Ų | 113 | 121.2 Ų | 121.2 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | | | trans | -179.5 | 123.1 | 141.9 | 53.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 357 | L | 34 | Very low | 36.5 | Very low | 141 Ų | 141 | 122.8 Ų | 122.8 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | trans | -95.6 | 173.2 | 149.1 | -74.3 | 175 | 0 | 0 | 0 | 108.9 | | |
| 358 | P | 39.8 | Very low | 36.2 | Very low | 115 Ų | 115 | 125 Ų | 125 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | | | | -148 | 146 | 107 | 37 | -21.2 | 0 | 0 | 0 | 117 | | |
| 359 | C | 26.7 | Very low | 37 | Very low | 89 Ų | 89 | 127.5 Ų | 127.5 | 60% | 0.601 | 77% | 0.771 | S | S | * | * | | | trans | 49.2 | 123.2 | 133.3 | -51.5 | 0 | 0 | 0 | 0 | 123.9 | | |
| 360 | Q | 26.5 | Very low | 35.9 | Very low | 170 Ų | 170 | 128.3 Ų | 128.3 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | | | | 66.6 | 109 | 123.5 | -60.7 | -176.2 | 27.7 | 0 | 0 | 123.1 | | |
| 361 | E | 23.2 | Very low | 34.5 | Very low | 172 Ų | 172 | 129.1 Ų | 129.1 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | | 68.4 | -170.4 | 125.1 | -130.5 | -137 | 148.7 | 0 | 0 | 119.5 | | |
| 362 | P | 43.6 | Very low | 34.5 | Very low | 98 Ų | 98 | 132.6 Ų | 132.6 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | | | | -108.8 | -177.8 | -107.7 | 42.4 | -33.5 | 0 | 0 | 0 | 116.1 | | |
| 363 | S | 25.9 | Very low | 34.6 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | | | trans | 118 | 149 | 135.5 | -146.3 | 0 | 0 | 0 | 0 | 119.8 | | |
| 364 | L | 33.3 | Very low | 34.7 | Very low | 157 Ų | 157 | 126.4 Ų | 126.4 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | | | trans | 56.7 | 76.7 | 152.1 | -73.2 | 159.4 | 0 | 0 | 0 | 122.8 | | |
| 365 | A | 32.4 | Very low | 34.7 | Very low | 90 Ų | 90 | 128.1 Ų | 128.1 | 74% | 0.744 | 74% | 0.743 | S | S | * | * | | | | 64 | -166.4 | 118.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 366 | P | 48.2 | Very low | 33.9 | Very low | 111 Ų | 111 | 130 Ų | 130 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | | | | -125.1 | -172.3 | -122.8 | 37.2 | -15.1 | 0 | 0 | 0 | 115.3 | | |
| 367 | P | 45.7 | Very low | 34.1 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 83% | 0.831 | 74% | 0.743 | S | S | * | * | | | | -138.6 | 155.8 | 103.5 | 37.7 | -26.6 | 0 | 0 | 0 | 116.5 | | |
| 368 | L | 37.8 | Very low | 34 | Very low | 154 Ų | 154 | 133.6 Ų | 133.6 | 81% | 0.806 | 74% | 0.742 | S | S | * | * | | | trans | -88.9 | 171.6 | 170.4 | -97.8 | 170 | 0 | 0 | 0 | 110.3 | | |
| 369 | P | 47.6 | Very low | 33.8 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | | | cis | -133.4 | -173.1 | 42.2 | 45.4 | -27.5 | 0 | 0 | 0 | 113.9 | | |
| 370 | H | 30.3 | Very low | 33.9 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 69% | 0.69 | 76% | 0.755 | S | S | * | * | | | cis | -159.6 | 132.9 | 19.5 | 176.3 | -84.4 | 0 | 0 | 0 | 111.4 | | |
| 371 | M | 30.2 | Very low | 34.4 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 68% | 0.68 | 76% | 0.755 | S | S | * | * | | | trans | 41.6 | 155.1 | 165.4 | -57.1 | -174.8 | 74.7 | 0 | 0 | 119.5 | | |
| 372 | E | 30.5 | Very low | 35.1 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | | | cis | -144.4 | -170.4 | 18.3 | -153.7 | 147.1 | 125.4 | 0 | 0 | 112.1 | | |
| 373 | A | 31.6 | Very low | 35.4 | Very low | 93 Ų | 93 | 135.1 Ų | 135.1 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | trans | -91.8 | 164.4 | -155.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 374 | T | 30 | Very low | 35.7 | Very low | 111 Ų | 111 | 136 Ų | 136 | 68% | 0.681 | 77% | 0.765 | S | S | * | * | | | trans | -72.3 | 176.8 | 175.4 | 44.8 | 0 | 0 | 0 | 0 | 113 | | |
| 375 | H | 36.3 | Very low | 35.5 | Very low | 150 Ų | 150 | 132.2 Ų | 132.2 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | | | cis | -153.5 | 145.6 | 26.7 | -86.2 | -91 | 0 | 0 | 0 | 114.4 | | |
| 376 | H | 30.9 | Very low | 36.2 | Very low | 162 Ų | 162 | 136.2 Ų | 136.2 | 75% | 0.75 | 77% | 0.772 | S | S | * | * | | | trans | 64.4 | 114.2 | 131.9 | -67.5 | 43.1 | 0 | 0 | 0 | 124.8 | | |
| 377 | K | 32.5 | Very low | 36.2 | Very low | 190 Ų | 190 | 136.7 Ų | 136.7 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | | | | 72.3 | 95.1 | 119.2 | -158.6 | 175.7 | -176.5 | 179.6 | 0 | 122.6 | | |
| 378 | L | 31.2 | Very low | 35.5 | Very low | 140 Ų | 140 | 135.6 Ų | 135.6 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | | | | 40.3 | 111 | 127.8 | -93.1 | 172.1 | 0 | 0 | 0 | 121.7 | | |
| 379 | H | 35.5 | Very low | 36 | Very low | 184 Ų | 184 | 133 Ų | 133 | 85% | 0.852 | 76% | 0.764 | S | S | * | * | | | | 145.2 | 149.9 | 122.2 | -83.1 | -72.8 | 0 | 0 | 0 | 113.8 | | |
| 380 | G | 29.7 | Very low | 35.3 | Very low | 75 Ų | 75 | 138.1 Ų | 138.1 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | trans | 111 | 141.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 381 | I | 35.8 | Very low | 35.3 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | | | trans | -139.3 | 116.5 | -179.5 | -69.8 | -176.9 | 0 | 0 | 0 | 110.4 | | |
| 382 | L | 38.3 | Very low | 35.5 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | | | trans | 64.9 | 166 | 158.2 | -65.6 | 172.5 | 0 | 0 | 0 | 118.7 | | |
| 383 | P | 50.8 | Low | 35.4 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | | | cis | -126.1 | 159.5 | -2.7 | 19.1 | 4.9 | 0 | 0 | 0 | 117.2 | | |
| 384 | S | 31.5 | Very low | 35.3 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | 44.2 | 131.1 | 140.1 | -53.1 | 0 | 0 | 0 | 0 | 123.4 | | |
| 385 | G | 29.7 | Very low | 35.6 | Very low | 79 Ų | 79 | 137 Ų | 137 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | | | trans | 148 | 102.8 | 151 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 386 | L | 45.3 | Very low | 36.2 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | | | trans | -89.9 | 162.1 | 161.2 | -76.7 | 176.3 | 0 | 0 | 0 | 109.3 | | |
| 387 | P | 48.2 | Very low | 36.6 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | | | cis | -142.6 | -179.6 | 29.5 | 42 | -21.8 | 0 | 0 | 0 | 118.8 | | |
| 388 | S | 31.4 | Very low | 36.7 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | trans | -54.5 | 170.7 | 158.9 | -132.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 389 | P | 47.8 | Very low | 37.2 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 66% | 0.656 | 79% | 0.794 | S | S | * | * | | | cis | -151.4 | -173.7 | 29.3 | 33.4 | -6.6 | 0 | 0 | 0 | 119.7 | | |
| 390 | Y | 33.2 | Very low | 37.7 | Very low | 222 Ų | 222 | 126.6 Ų | 126.6 | 87% | 0.871 | 79% | 0.791 | S | S | * | * | | | trans | 83.5 | 163.6 | 157.2 | -79.4 | -65.5 | 0 | 0 | 0 | 121.8 | | |
| 391 | T | 30.9 | Very low | 37.8 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | trans | -118.3 | 173.1 | -160.9 | 30.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 392 | L | 33.7 | Very low | 37.8 | Very low | 165 Ų | 165 | 128.2 Ų | 128.2 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | trans | 90.4 | 110.4 | 168.9 | -68.6 | 165.1 | 0 | 0 | 0 | 119 | | |
| 393 | A | 29.4 | Very low | 37.9 | Very low | 89 Ų | 89 | 128 Ų | 128 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | | | | 74.7 | 158.5 | 126.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 394 | S | 28.6 | Very low | 37.7 | Very low | 122 Ų | 122 | 128.5 Ų | 128.5 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | 89.1 | 150.1 | 163.4 | -59.6 | 0 | 0 | 0 | 0 | 119.6 | | |
| 395 | V | 36.2 | Very low | 37.8 | Very low | 140 Ų | 140 | 127.2 Ų | 127.2 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | | | trans | -112.1 | 154 | -167 | 164.7 | 0 | 0 | 0 | 0 | 109 | | |
| 396 | P | 50.4 | Low | 38 | Very low | 115 Ų | 115 | 132 Ų | 132 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | | | trans | -102 | 172 | -151.4 | 39.4 | -37 | 0 | 0 | 0 | 115.8 | | |
| 397 | P | 39.3 | Very low | 37.2 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | | | trans | -123.8 | 119.6 | 166.4 | 36.2 | -21.8 | 0 | 0 | 0 | 116 | | |
| 398 | V | 34.1 | Very low | 36.4 | Very low | 135 Ų | 135 | 126.2 Ų | 126.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | | 39.4 | 126.1 | 125.9 | -173.7 | 0 | 0 | 0 | 0 | 121.6 | | |
| 399 | P | 41 | Very low | 36.7 | Very low | 114 Ų | 114 | 127 Ų | 127 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | | | trans | -89.5 | 160.9 | 158.1 | 37 | -33.3 | 0 | 0 | 0 | 113.5 | | |
| 400 | P | 47.3 | Very low | 36.1 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | | | trans | -92.3 | 141.5 | -157.2 | 34.3 | -37.2 | 0 | 0 | 0 | 118.7 | | |
| 401 | S | 30.8 | Very low | 36 | Very low | 111 Ų | 111 | 122.7 Ų | 122.7 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | 31.6 | 119.2 | 140.2 | -56.1 | 0 | 0 | 0 | 0 | 123 | | |
| 402 | V | 36.2 | Very low | 36.6 | Very low | 150 Ų | 150 | 123.3 Ų | 123.3 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | | | trans | -137.3 | 135.1 | 135.5 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 403 | M | 39.9 | Very low | 36.5 | Very low | 152 Ų | 152 | 119 Ų | 119 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | | | trans | -95.4 | 167.1 | 176 | -75.6 | -77 | -78.2 | 0 | 0 | 110.2 | T405 | M403-T405 WeakPolarHBondContact CE-OG1 3.35Š|
| 404 | P | 46 | Very low | 36.6 | Very low | 121 Ų | 121 | 119.5 Ų | 119.5 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | | | cis | -137 | -164.5 | 26.5 | 39.2 | -17.7 | 0 | 0 | 0 | 114.2 | | |
| 405 | T | 34.2 | Very low | 36.6 | Very low | 92 Ų | 92 | 118.6 Ų | 118.6 | 56% | 0.564 | 80% | 0.797 | S | S | * | * | | | cis | -170.1 | 148.2 | -42.4 | -78.9 | 0 | 0 | 0 | 0 | 108.9 | M403 | M403-T405 WeakPolarHBondContact CE-OG1 3.35Š|
| 406 | L | 34.7 | Very low | 36.7 | Very low | 179 Ų | 179 | 118.4 Ų | 118.4 | 94% | 0.937 | 80% | 0.795 | S | S | * | * | | | trans | 69.1 | 145.3 | 173.1 | -75 | 160.5 | 0 | 0 | 0 | 118.1 | | |
| 407 | G | 28.3 | Very low | 37.1 | Very low | 71 Ų | 71 | 118.1 Ų | 118.1 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | | | trans | 176.8 | -36.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 408 | A | 31.6 | Very low | 37.5 | Very low | 102 Ų | 102 | 118.3 Ų | 118.3 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | | | trans | 67.1 | 161.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 409 | P | 37.5 | Very low | 37.3 | Very low | 121 Ų | 121 | 115.7 Ų | 115.7 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | | | trans | -118.1 | 166.2 | -171.7 | 41.9 | -31.7 | 0 | 0 | 0 | 115.2 | | |
| 410 | V | 35.6 | Very low | 36.9 | Very low | 147 Ų | 147 | 117.2 Ų | 117.2 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | | | trans | -171.1 | 147.4 | 137.7 | 134.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 411 | A | 29.8 | Very low | 36.6 | Very low | 86 Ų | 86 | 116.9 Ų | 116.9 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | | | trans | -155 | -179.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 412 | P | 43.9 | Very low | 36.7 | Very low | 135 Ų | 135 | 116.4 Ų | 116.4 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | | | cis | -135.4 | -176.2 | -2.6 | 43.2 | -27.1 | 0 | 0 | 0 | 114.8 | | |
| 413 | G | 31.1 | Very low | 36.5 | Very low | 75 Ų | 75 | 115.1 Ų | 115.1 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | trans | 146.5 | 157.4 | 150.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 414 | A | 31.7 | Very low | 36.2 | Very low | 99 Ų | 99 | 112 Ų | 112 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | cis | -171.2 | 155.9 | -21.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 415 | A | 29.9 | Very low | 36.1 | Very low | 103 Ų | 103 | 109.6 Ų | 109.6 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | | | trans | 66.8 | 168.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 416 | V | 37.5 | Very low | 36 | Very low | 136 Ų | 136 | 105.8 Ų | 105.8 | 82% | 0.824 | 73% | 0.733 | S | S | * | * | | | trans | -143.8 | -164.6 | -155.4 | -145.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 417 | P | 59 | Low | 36.6 | Very low | 109 Ų | 109 | 102 Ų | 102 | 71% | 0.708 | 72% | 0.719 | S | S | * | * | | | | -106.9 | -170.6 | -122.4 | 45.8 | -29.9 | 0 | 0 | 0 | 114.4 | | |
| 418 | P | 46.5 | Very low | 37.1 | Very low | 124 Ų | 124 | 103.9 Ų | 103.9 | 81% | 0.805 | 72% | 0.719 | S | S | * | * | | | | -141.4 | -162.2 | 82.9 | 40.6 | -21.5 | 0 | 0 | 0 | 111.6 | | |
| 419 | A | 29.9 | Very low | 37.5 | Very low | 81 Ų | 81 | 105.3 Ų | 105.3 | 67% | 0.669 | 72% | 0.72 | S | S | * | * | | | cis | -156.2 | 144.6 | 5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 420 | V | 34.3 | Very low | 37.2 | Very low | 146 Ų | 146 | 104.8 Ų | 104.8 | 89% | 0.885 | 72% | 0.719 | S | S | * | * | | | trans | 18.9 | 161.9 | 150.5 | -78.9 | 0 | 0 | 0 | 0 | 125.8 | | |
| 421 | P | 40.5 | Very low | 37.2 | Very low | 115 Ų | 115 | 106 Ų | 106 | 75% | 0.747 | 72% | 0.719 | S | S | * | * | | | trans | -129.9 | -172.6 | -156.4 | 46 | -30.6 | 0 | 0 | 0 | 117.2 | | |
| 422 | S | 32.4 | Very low | 37.4 | Very low | 101 Ų | 101 | 107.2 Ų | 107.2 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | | | trans | -152.7 | 133.9 | 156.5 | -132.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 423 | N | 32.5 | Very low | 37.3 | Very low | 122 Ų | 122 | 106.5 Ų | 106.5 | 65% | 0.652 | 72% | 0.718 | S | S | * | * | | | | 54.1 | 131.3 | 69.4 | -55.9 | -53 | 0 | 0 | 0 | 112.3 | | |
| 424 | S | 34.1 | Very low | 37.2 | Very low | 86 Ų | 86 | 107.7 Ų | 107.7 | 60% | 0.601 | 72% | 0.72 | S | S | * | * | | | cis | -163 | 177.3 | 48.8 | -84.7 | 0 | 0 | 0 | 0 | 114.5 | V281 | V281-S424 WeakPolarHBondContact CG2-O 3.12Š|
| 425 | P | 42.7 | Very low | 37.4 | Very low | 71 Ų | 71 | 111.3 Ų | 111.3 | 46% | 0.461 | 73% | 0.725 | S | S | . | * | | | trans | -115.3 | 143.5 | -166.1 | 11.9 | 12.4 | 0 | 0 | 0 | 118.5 | L279 S280 | L279-P425 HydrophobicContact CB-CB 3.8Å; L279-P425 HydrophobicContact CB-CG 3.98Å; L279-P425 HydrophobicContact CD1-CG 4.04Å; L279-P425 HydrophobicContact CD2-CB 3.95Å; L279-P425 HydrophobicContact CD2-CG 3.64Å; L279-P425 HydrophobicContact CG-CB 4.3Å; L279-P425 HydrophobicContact CG-CG 4.02Å; S280-P425 WeakPolarHBondContact O-CA 3.3Å |
| 426 | G | 33.3 | Very low | 37.6 | Very low | 12 Ų | 12 | 109.4 Ų | 109.4 | 12% | 0.124 | 72% | 0.715 | C | S | . | * | | | trans | -128.3 | 147 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | S280 V281 | S280-G426 CarbonylContact C-O 3.21Å; S280-G426 WeakPolarHBondContact CB-O 3.49Å; S280-G426 PolarHBondContact O-N 2.9Å; S280-G426 PolarHBondContact OG-O 3.4Å; V281-G426 PolarHBondContact N-O 3.4Å; V281-G426 VanDerWaalsContact N-O 3.11Å |
| 427 | P | 46.9 | Very low | 37.3 | Very low | 99 Ų | 99 | 111.1 Ų | 111.1 | 64% | 0.643 | 72% | 0.719 | S | S | * | * | | | trans | -105.8 | 178.4 | -141 | 1.1 | 22.6 | 0 | 0 | 0 | 116.4 | | |
| 428 | P | 39.2 | Very low | 36 | Very low | 111 Ų | 111 | 111 Ų | 111 | 72% | 0.721 | 72% | 0.721 | S | S | * | * | | | trans | -73.2 | 161.5 | 171.9 | 32.2 | -36.6 | 0 | 0 | 0 | 113.5 | | |
| 429 | P | 38.8 | Very low | 35.5 | Very low | 133 Ų | 133 | 109.4 Ų | 109.4 | 86% | 0.864 | 72% | 0.718 | S | S | * | * | | | trans | -75.8 | 144.9 | -174.4 | 30.7 | -36.1 | 0 | 0 | 0 | 114 | | |
| 430 | S | 32.1 | Very low | 36.1 | Very low | 109 Ų | 109 | 111.1 Ų | 111.1 | 76% | 0.762 | 72% | 0.723 | S | S | * | * | | | trans | -109.6 | 154.7 | 175.7 | 55.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 431 | L | 35.6 | Very low | 35.8 | Very low | 172 Ų | 172 | 113.1 Ų | 113.1 | 90% | 0.901 | 72% | 0.722 | S | S | * | * | | | trans | -80.3 | 141.3 | 163.4 | -66.9 | 167.3 | 0 | 0 | 0 | 109.4 | | |
| 432 | S | 32.5 | Very low | 35.5 | Very low | 112 Ų | 112 | 113.4 Ų | 113.4 | 78% | 0.783 | 72% | 0.717 | S | S | * | * | | | trans | -160.3 | 159 | 165.7 | -86.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 433 | P | 43 | Very low | 35.3 | Very low | 121 Ų | 121 | 115 Ų | 115 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | | | trans | -103.7 | -178.4 | -159.9 | 41 | -37.1 | 0 | 0 | 0 | 114.4 | | |
| 434 | A | 29.5 | Very low | 35.3 | Very low | 99 Ų | 99 | 113.9 Ų | 113.9 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | | | trans | -120.2 | 123.3 | 170 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 435 | L | 34.6 | Very low | 35.1 | Very low | 176 Ų | 176 | 115 Ų | 115 | 92% | 0.921 | 73% | 0.734 | S | S | * | * | | | trans | -132.8 | 151.4 | 161.1 | -61.8 | 171.2 | 0 | 0 | 0 | 105.1 | | |
| 436 | G | 34.7 | Very low | 34.5 | Very low | 62 Ų | 62 | 117 Ų | 117 | 64% | 0.639 | 75% | 0.75 | S | S | * | * | | | cis | -178.2 | -134.1 | 3.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 437 | L | 32 | Very low | 34.4 | Very low | 172 Ų | 172 | 126.7 Ų | 126.7 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | | | trans | 77.9 | 139.6 | 178 | -47.8 | 169.5 | 0 | 0 | 0 | 115.2 | | |
| 438 | S | 31 | Very low | 33.4 | Very low | 106 Ų | 106 | 127 Ų | 127 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | | | cis | -160.3 | 153.6 | -15.1 | -99.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 439 | A | 36 | Very low | 32.8 | Very low | 92 Ų | 92 | 128.9 Ų | 128.9 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | | | trans | -93.8 | 173.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 440 | P | 42.2 | Very low | 32.5 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | | | | -136 | 152.3 | 119.3 | 37.9 | -29 | 0 | 0 | 0 | 115.7 | | |
| 441 | Q | 29.1 | Very low | 32.3 | Very low | 188 Ų | 188 | 128.2 Ų | 128.2 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | | | trans | 3.1 | 156.9 | 147.1 | -65.4 | 178.3 | -57.6 | 0 | 0 | 121.1 | | |
| 442 | N | 33.6 | Very low | 32.2 | Very low | 120 Ų | 120 | 125 Ų | 125 | 64% | 0.642 | 79% | 0.79 | S | S | * | * | | | cis | 175.6 | 137.7 | -16.9 | 166.6 | 73.5 | 0 | 0 | 0 | 107.2 | | |
| 443 | D | 27.9 | Very low | 32 | Very low | 134 Ų | 134 | 125.4 Ų | 125.4 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | | | trans | -177.1 | 128.8 | 133.8 | -108.3 | -42.2 | 0 | 0 | 0 | 117.1 | | |
| 444 | S | 32.3 | Very low | 31.3 | Very low | 100 Ų | 100 | 126 Ų | 126 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | | | | 28.7 | 114.8 | 128.4 | -49.5 | 0 | 0 | 0 | 0 | 122 | | |
| 445 | A | 30.3 | Very low | 31.4 | Very low | 109 Ų | 109 | 124.8 Ų | 124.8 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | | | trans | -173.3 | 154.2 | 130.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 446 | S | 30.9 | Very low | 31.2 | Very low | 112 Ų | 112 | 122.4 Ų | 122.4 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | trans | -108.2 | 158.8 | -166.6 | -64.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 447 | Y | 29.6 | Very low | 31 | Very low | 217 Ų | 217 | 123.8 Ų | 123.8 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | | | trans | 88.8 | 130.2 | 139.5 | -111 | -116.4 | 0 | 0 | 0 | 122.9 | | |
| 448 | S | 26.6 | Very low | 31.7 | Very low | 104 Ų | 104 | 120.9 Ų | 120.9 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | 65.4 | 155.6 | 157 | -64.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 449 | N | 26 | Very low | 31.8 | Very low | 151 Ų | 151 | 122.1 Ų | 122.1 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | | | cis | -143.4 | 163.2 | 6.5 | -162.4 | 12.9 | 0 | 0 | 0 | 112.1 | | |
| 450 | S | 32.8 | Very low | 31.7 | Very low | 109 Ų | 109 | 122 Ų | 122 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | trans | -79.1 | 136.4 | 174.2 | -51.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 451 | S | 28.5 | Very low | 31.6 | Very low | 120 Ų | 120 | 122.7 Ų | 122.7 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | | | trans | -165.2 | 143.9 | 148 | 51.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 452 | A | 33.6 | Very low | 31.6 | Very low | 105 Ų | 105 | 117.5 Ų | 117.5 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | | | trans | -92.8 | 145.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 453 | S | 27 | Very low | 31.7 | Very low | 119 Ų | 119 | 119.5 Ų | 119.5 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | | | trans | -153.1 | 121.5 | 162.7 | -166.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 454 | C | 30 | Very low | 32.3 | Very low | 134 Ų | 134 | 118.7 Ų | 118.7 | 91% | 0.905 | 81% | 0.805 | S | S | * | * | | | trans | -103.2 | 126.4 | 162.6 | 46.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 455 | G | 29.8 | Very low | 32.4 | Very low | 73 Ų | 73 | 120.2 Ų | 120.2 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | | | trans | -178.7 | 53.3 | -166.2 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 456 | S | 30.5 | Very low | 32.4 | Very low | 127 Ų | 127 | 119.3 Ų | 119.3 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | | | trans | -83.8 | 139.4 | 154.7 | -59.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 457 | A | 32 | Very low | 32.5 | Very low | 90 Ų | 90 | 119.5 Ų | 119.5 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | | | cis | -162.6 | -158 | -4.1 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 458 | P | 46.5 | Very low | 32.7 | Very low | 111 Ų | 111 | 115.9 Ų | 115.9 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | | | cis | -142.5 | -169.9 | -4.5 | 46.1 | -27 | 0 | 0 | 0 | 116.1 | | |
| 459 | V | 32.3 | Very low | 33.3 | Very low | 133 Ų | 133 | 118.3 Ų | 118.3 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | | | trans | 59 | 95.2 | 159.8 | -175.3 | 0 | 0 | 0 | 0 | 117.4 | | |
| 460 | A | 34.5 | Very low | 33.6 | Very low | 89 Ų | 89 | 115 Ų | 115 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | | | | 93.3 | 179.7 | 81 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 461 | P | 40.3 | Very low | 33.8 | Very low | 132 Ų | 132 | 115 Ų | 115 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | | | | -124.6 | 162 | -87.9 | 38.4 | -24.6 | 0 | 0 | 0 | 115.5 | | |
| 462 | G | 29.5 | Very low | 34.4 | Very low | 79 Ų | 79 | 113.7 Ų | 113.7 | 81% | 0.814 | 74% | 0.744 | S | S | * | * | | | trans | -168.7 | 140.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 463 | N | 33.8 | Very low | 34.6 | Very low | 162 Ų | 162 | 114.3 Ų | 114.3 | 87% | 0.866 | 73% | 0.729 | S | S | * | * | | | trans | -86.1 | 152.3 | 178.2 | -91.6 | -34.2 | 0 | 0 | 0 | 112.8 | | |
| 464 | P | 41.9 | Very low | 34.9 | Very low | 116 Ų | 116 | 116.8 Ų | 116.8 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | | | trans | -99.1 | 128.6 | 167.3 | 35.4 | -28.7 | 0 | 0 | 0 | 112.7 | | |
| 465 | V | 33.9 | Very low | 35.7 | Very low | 133 Ų | 133 | 114.5 Ų | 114.5 | 81% | 0.806 | 71% | 0.713 | S | S | * | * | | | trans | -144.2 | 105.1 | 166.6 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 466 | A | 31.3 | Very low | 37.2 | Very low | 90 Ų | 90 | 115.9 Ų | 115.9 | 74% | 0.744 | 71% | 0.708 | S | S | * | * | | | trans | 59.4 | 165.9 | 147.3 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 467 | V | 31.3 | Very low | 37.2 | Very low | 115 Ų | 115 | 114.1 Ų | 114.1 | 70% | 0.697 | 69% | 0.686 | S | S | * | * | | | cis | -163 | 146.9 | -22.9 | 111.3 | 0 | 0 | 0 | 0 | 110 | | |
| 468 | Q | 35.3 | Very low | 37.6 | Very low | 142 Ų | 142 | 115.4 Ų | 115.4 | 66% | 0.664 | 68% | 0.677 | S | S | * | * | | | trans | 58.9 | 128 | 157.5 | -71.4 | 176.4 | 60.5 | 0 | 0 | 123.6 | | |
| 469 | Q | 39 | Very low | 37.3 | Very low | 155 Ų | 155 | 116 Ų | 116 | 72% | 0.724 | 67% | 0.67 | S | S | * | * | | | | 72.4 | 157.2 | 125.6 | -64.7 | 177.3 | 19.4 | 0 | 0 | 120.5 | | |
| 470 | T | 32.8 | Very low | 37.4 | Very low | 82 Ų | 82 | 115.6 Ų | 115.6 | 50% | 0.503 | 67% | 0.668 | S | S | . | * | | | cis | -127 | -148 | 15.6 | -41.8 | 0 | 0 | 0 | 0 | 113.1 | D141 R142 | D141-T470 CarbonylContact C-O 3.44Å; D141-T470 CarbonylContact O-C 3.21Å; R142-T470 WeakPolarHBondContact CB-O 3.36Å |
| 471 | Q | 36.8 | Very low | 38.2 | Very low | 107 Ų | 107 | 116.7 Ų | 116.7 | 50% | 0.5 | 67% | 0.667 | S | S | . | * | | | trans | -95.2 | 134.3 | -157 | -73.7 | 174.8 | 54.6 | 0 | 0 | 125.6 | D141 R142 | D141-Q471 CarbonylContact O-C 3.32Å; D141-Q471 WeakPolarHBondContact O-CA 3.35Å; D141-Q471 PolarHBondContact O-N 3.03Å; R142-Q471 VanDerWaalsContact CB-N 3.34Å; R142-Q471 WeakPolarHBondContact CB-O 3.42Å; R142-Q471 WeakPolarHBondContact CD-O 3.4Å; R142-Q471 WeakPolarHBondContact CG-O 3.43Å |
| 472 | Q | 39.6 | Very low | 38.8 | Very low | 94 Ų | 94 | 115.8 Ų | 115.8 | 44% | 0.439 | 66% | 0.662 | S | S | . | * | B | Isolated β-bridge | trans | 71.8 | 153.7 | 145.3 | -60.1 | -179.8 | 123 | 0 | 0 | 120.1 | D141 | D141-Q472 VanDerWaalsContact C-N 3.32Å; D141-Q472 PolarHBondContact O-N 3.21Å |
| 473 | Q | 38.1 | Very low | 38.8 | Very low | 117 Ų | 117 | 119.1 Ų | 119.1 | 55% | 0.547 | 66% | 0.66 | S | S | . | * | | | cis | -172.2 | 162.8 | -12.2 | -111.6 | 169.3 | 6.6 | 0 | 0 | 113.6 | D141 | D141-Q473 PolarHBondContact OD1-N 3.29Š|
| 474 | M | 33.7 | Very low | 38.9 | Very low | 171 Ų | 171 | 118.7 Ų | 118.7 | 84% | 0.842 | 65% | 0.653 | S | S | * | * | | | trans | 78.8 | 152.4 | 150.6 | -81 | -130.5 | -103.3 | 0 | 0 | 122.4 | | |
| 475 | P | 47.8 | Very low | 38.6 | Very low | 87 Ų | 87 | 122 Ų | 122 | 57% | 0.565 | 66% | 0.658 | S | S | * | * | | | trans | -135.8 | -132.8 | -142.3 | 32.3 | -5.1 | 0 | 0 | 0 | 114.9 | R150 | R150-P475 PolarHBondContact NH2-O 2.84Š|
| 476 | P | 61 | Low | 38.8 | Very low | 101 Ų | 101 | 123.5 Ų | 123.5 | 66% | 0.656 | 66% | 0.656 | S | S | * | * | | | | -118.6 | 165.9 | -85.3 | 34 | -19 | 0 | 0 | 0 | 114.6 | R150 | R150-P476 PolarHBondContact NH1-O 3.03Š|
| 477 | Q | 30.1 | Very low | 39 | Very low | 90 Ų | 90 | 128.3 Ų | 128.3 | 42% | 0.421 | 66% | 0.663 | S | S | . | * | | | trans | -178 | 158.6 | 158.5 | -105 | -149.6 | 2.5 | 0 | 0 | 108.5 | R150 G151 | R150-Q477 HydrophobicContact CG-CB 4.02Å; R150-Q477 HydrophobicContact CG-CG 4.42Å; G151-Q477 VanDerWaalsContact N-OE1 3.16Å |
| 478 | Q | 39.1 | Very low | 39.4 | Very low | 117 Ų | 117 | 128 Ų | 128 | 55% | 0.547 | 66% | 0.664 | S | S | . | * | | | cis | -175.7 | 154.4 | -26.8 | -126.2 | -176.3 | 38.5 | 0 | 0 | 107.4 | | |
| 479 | Q | 41.5 | Very low | 39.6 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 58% | 0.584 | 67% | 0.671 | S | S | * | * | | | trans | 65.3 | 157 | 156.9 | -64.5 | 173.4 | -20.4 | 0 | 0 | 115.6 | | |
| 480 | T | 34.1 | Very low | 39.9 | Very low | 123 Ų | 123 | 126.7 Ų | 126.7 | 76% | 0.755 | 68% | 0.678 | S | S | * | * | | | cis | -155.9 | 166.8 | -11.9 | 12.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 481 | P | 51.4 | Low | 40.1 | Very low | 112 Ų | 112 | 126.1 Ų | 126.1 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | | | trans | -78.3 | -174.9 | 172.2 | 38.7 | -37.3 | 0 | 0 | 0 | 111 | | |
| 482 | P | 53.2 | Low | 40.3 | Very low | 114 Ų | 114 | 126 Ų | 126 | 74% | 0.74 | 70% | 0.699 | S | S | * | * | | | cis | -150.8 | -142.1 | 29.1 | 46 | -21.8 | 0 | 0 | 0 | 116.7 | | |
| 483 | L | 29 | Very low | 40.8 | Very low | 148 Ų | 148 | 125.9 Ų | 125.9 | 78% | 0.775 | 72% | 0.722 | S | S | * | * | | | trans | 78.8 | 123 | -173.7 | -59.2 | 169.4 | 0 | 0 | 0 | 114.2 | | |
| 484 | Q | 36.9 | Very low | 41.5 | Very low | 154 Ų | 154 | 124.5 Ų | 124.5 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | | | cis | 94.4 | 91.7 | 30.7 | -170.9 | -165.4 | 100.7 | 0 | 0 | 114 | | |
| 485 | Q | 35.6 | Very low | 42.1 | Very low | 184 Ų | 184 | 120.9 Ų | 120.9 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | | | trans | -156.1 | 126.1 | 132.5 | -72.6 | -149.1 | 91.8 | 0 | 0 | 105.5 | | |
| 486 | Q | 38.3 | Very low | 42.3 | Very low | 165 Ų | 165 | 121 Ų | 121 | 77% | 0.771 | 74% | 0.738 | S | S | * | * | | | | 62.7 | 84.2 | 57.7 | -68.8 | -146.7 | 70.2 | 0 | 0 | 114.8 | | |
| 487 | Q | 34.3 | Very low | 41.8 | Very low | 192 Ų | 192 | 120.7 Ų | 120.7 | 90% | 0.897 | 74% | 0.737 | S | S | * | * | | | trans | -159.6 | 165.7 | 134.8 | -108.5 | -177.5 | -0.6 | 0 | 0 | 109.6 | | |
| 488 | P | 40.2 | Very low | 42.2 | Very low | 108 Ų | 108 | 125.1 Ų | 125.1 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 154.2 | -146.4 | 31.8 | -38.4 | 0 | 0 | 0 | 115.7 | | |
| 489 | P | 39.2 | Very low | 42.2 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -68 | 136.4 | 168.5 | 29.5 | -33.8 | 0 | 0 | 0 | 111.5 | | |
| 490 | V | 45.4 | Very low | 42.3 | Very low | 144 Ų | 144 | 128.1 Ų | 128.1 | 87% | 0.873 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 144.1 | 169.5 | 175.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 491 | G | 37.8 | Very low | 42.7 | Very low | 70 Ų | 70 | 128.2 Ų | 128.2 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 140.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G493 | G491-G493 PolarHBondContact O-N 3.18Š|
| 492 | C | 39.8 | Very low | 41.9 | Very low | 106 Ų | 106 | 126 Ų | 126 | 72% | 0.716 | 78% | 0.783 | S | S | * | * | | | trans | -75.8 | 107.7 | -177.1 | -171.6 | 0 | 0 | 0 | 0 | 111.8 | A494 | C492-A494 PolarHBondContact O-N 3.01Š|
| 493 | G | 50.5 | Low | 41.3 | Very low | 90 Ų | 90 | 128 Ų | 128 | 93% | 0.928 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 61.9 | 171 | 0 | 0 | 0 | 0 | 0 | 113.1 | G491 | G491-G493 PolarHBondContact O-N 3.18Š|
| 494 | A | 52.5 | Low | 41.8 | Very low | 89 Ų | 89 | 132.2 Ų | 132.2 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.2 | -8.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | C492 | C492-A494 PolarHBondContact O-N 3.01Š|
| 495 | C | 46.2 | Very low | 41.7 | Very low | 95 Ų | 95 | 128.8 Ų | 128.8 | 64% | 0.642 | 80% | 0.799 | S | S | * | * | | | trans | -133 | 125.5 | 165 | 61.6 | 0 | 0 | 0 | 0 | 110.7 | C497 | C495-C497 PolarHBondContact O-N 3.35Š|
| 496 | G | 52.4 | Low | 41.8 | Very low | 89 Ų | 89 | 125.9 Ų | 125.9 | 92% | 0.918 | 80% | 0.799 | S | S | * | * | | | trans | -77.9 | 38.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 497 | C | 50.3 | Low | 41.6 | Very low | 95 Ų | 95 | 121.3 Ų | 121.3 | 64% | 0.642 | 80% | 0.796 | S | S | * | * | | | trans | -132.2 | 77.5 | -171.5 | -62 | 0 | 0 | 0 | 0 | 111.7 | C495 | C495-C497 PolarHBondContact O-N 3.35Š|
| 498 | H | 37.8 | Very low | 41.6 | Very low | 182 Ų | 182 | 117.9 Ų | 117.9 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | trans | -123.5 | 143.2 | 163.3 | -118.4 | -135.8 | 0 | 0 | 0 | 109.3 | | |
| 499 | N | 39.9 | Very low | 41.4 | Very low | 159 Ų | 159 | 117.3 Ų | 117.3 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 69.7 | 108.5 | -168.1 | -61.5 | -13.2 | 0 | 0 | 0 | 116.1 | | |
| 500 | N | 42.9 | Very low | 41.3 | Very low | 147 Ų | 147 | 118.4 Ų | 118.4 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | | | trans | 78.3 | 64.5 | 160.2 | -153.6 | -2.4 | 0 | 0 | 0 | 119.8 | G502 | N500-G502 VanDerWaalsContact C-N 3.32Å; N500-G502 PolarHBondContact O-N 3.49Å; N500-G502 WeakPolarHBondContact OD1-CA 3.5Å; N500-G502 PolarHBondContact OD1-N 2.87Å; N500-G502 VanDerWaalsContact OD1-N 3.09Å |
| 501 | C | 42.7 | Very low | 40.7 | Very low | 125 Ų | 125 | 115.3 Ų | 115.3 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | | | trans | -85.6 | 73.8 | 147.2 | -65.6 | 0 | 0 | 0 | 0 | 110.2 | N503 | C501-N503 PolarHBondContact O-N 2.98Š|
| 502 | G | 36.1 | Very low | 40.4 | Very low | 64 Ų | 64 | 115.9 Ų | 115.9 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | | | trans | -68.9 | 80.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | N500 | N500-G502 VanDerWaalsContact C-N 3.32Å; N500-G502 PolarHBondContact O-N 3.49Å; N500-G502 WeakPolarHBondContact OD1-CA 3.5Å; N500-G502 PolarHBondContact OD1-N 2.87Å; N500-G502 VanDerWaalsContact OD1-N 3.09Å |
| 503 | N | 39.3 | Very low | 40.1 | Very low | 156 Ų | 156 | 117 Ų | 117 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | | | trans | -69.1 | 147.3 | 177.2 | -165.5 | 15.7 | 0 | 0 | 0 | 112 | C501 G505 | C501-N503 PolarHBondContact O-N 2.98Å; N503-G505 PolarHBondContact O-N 3.5Å; N503-G505 VanDerWaalsContact O-N 3.12Å |
| 504 | R | 39.6 | Very low | 39.3 | Very low | 237 Ų | 237 | 118.2 Ų | 118.2 | 89% | 0.894 | 81% | 0.809 | S | S | * | * | | | trans | -73.3 | 103.2 | -172.8 | -66.3 | 178.3 | 179.8 | -120.6 | -0.2 | 111.5 | S506 | R504-S506 PolarHBondContact O-N 3.1Š|
| 505 | G | 34.3 | Very low | 38.5 | Very low | 82 Ų | 82 | 119.3 Ų | 119.3 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | | | trans | -68.9 | 92.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N503 | N503-G505 PolarHBondContact O-N 3.5Å; N503-G505 VanDerWaalsContact O-N 3.12Å |
| 506 | S | 38.4 | Very low | 37.7 | Very low | 123 Ų | 123 | 120.5 Ų | 120.5 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | | | trans | -86.3 | 101.4 | 158.1 | -167.7 | 0 | 0 | 0 | 0 | 108.5 | R504 S508 | R504-S506 PolarHBondContact O-N 3.1Å; S506-S508 PolarHBondContact O-N 3.1Å |
| 507 | G | 33.3 | Very low | 36.7 | Very low | 70 Ų | 70 | 124.6 Ų | 124.6 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | | | trans | -81.7 | 114.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 508 | S | 34.2 | Very low | 36.3 | Very low | 119 Ų | 119 | 125.2 Ų | 125.2 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | | | trans | -138.6 | 119.7 | 153.2 | -168.6 | 0 | 0 | 0 | 0 | 108.6 | S506 | S506-S508 PolarHBondContact O-N 3.1Š|
| 509 | A | 37.6 | Very low | 37.2 | Very low | 96 Ų | 96 | 121.9 Ų | 121.9 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | | | trans | -144.6 | 88 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 510 | V | 37.4 | Very low | 36.9 | Very low | 148 Ų | 148 | 120.9 Ų | 120.9 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | | | trans | -169.8 | 138.1 | 153.7 | -93 | 0 | 0 | 0 | 0 | 105.6 | | |
| 511 | G | 31.6 | Very low | 36.3 | Very low | 80 Ų | 80 | 123.5 Ų | 123.5 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | cis | 170.8 | 140.4 | -6.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 512 | G | 32.3 | Very low | 35.7 | Very low | 81 Ų | 81 | 126.1 Ų | 126.1 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | 164.6 | 65.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | S514 | G512-S514 PolarHBondContact O-N 2.93Š|
| 513 | S | 33.5 | Very low | 35.4 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | | | trans | -74.3 | 113.9 | 156.8 | 52.7 | 0 | 0 | 0 | 0 | 109 | | |
| 514 | S | 33.4 | Very low | 35.2 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | | | trans | -137.2 | 117.1 | 166.4 | -168.9 | 0 | 0 | 0 | 0 | 110.6 | G512 | G512-S514 PolarHBondContact O-N 2.93Š|
| 515 | S | 35.1 | Very low | 34.9 | Very low | 111 Ų | 111 | 123.9 Ų | 123.9 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | -84 | 136 | -179.6 | 50.8 | 0 | 0 | 0 | 0 | 111.6 | Q517 | S515-Q517 PolarHBondContact O-N 3.32Š|
| 516 | C | 29.4 | Very low | 35 | Very low | 120 Ų | 120 | 127 Ų | 127 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | | | trans | -78.8 | 108.9 | 170.9 | -56.8 | 0 | 0 | 0 | 0 | 111 | | |
| 517 | Q | 32 | Very low | 34.9 | Very low | 176 Ų | 176 | 125.7 Ų | 125.7 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | | | trans | -147.8 | 158.1 | 146.4 | -83 | -48.4 | -74.8 | 0 | 0 | 109.5 | S515 | S515-Q517 PolarHBondContact O-N 3.32Š|
| 518 | P | 42.6 | Very low | 35 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | | | trans | -114.1 | -157.4 | -149.4 | 47.9 | -38.5 | 0 | 0 | 0 | 113.2 | | |
| 519 | P | 55.9 | Low | 35 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | | -94.4 | 178 | -129.3 | 41.2 | -26.6 | 0 | 0 | 0 | 114.7 | | |
| 520 | L | 32.5 | Very low | 34.8 | Very low | 137 Ų | 137 | 126.7 Ų | 126.7 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | | | trans | 178.4 | 153.3 | 133.9 | -98.8 | 172.7 | 0 | 0 | 0 | 114.2 | | |
| 521 | Y | 30.6 | Very low | 34.9 | Very low | 203 Ų | 203 | 131 Ų | 131 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | | | trans | 64 | -176.7 | 163.7 | -64.5 | -59.6 | 0 | 0 | 0 | 120.6 | | |
| 522 | F | 31.3 | Very low | 35.1 | Very low | 180 Ų | 180 | 135.2 Ų | 135.2 | 79% | 0.789 | 76% | 0.762 | S | S | * | * | | | | -146.3 | 148.1 | -125 | -129.5 | -82.1 | 0 | 0 | 0 | 115 | | |
| 523 | H | 29.6 | Very low | 35.1 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | | | trans | 78.3 | 154 | 146.7 | -118.3 | -16.8 | 0 | 0 | 0 | 123.7 | | |
| 524 | H | 34 | Very low | 35.1 | Very low | 132 Ų | 132 | 141 Ų | 141 | 61% | 0.611 | 75% | 0.752 | S | S | * | * | | | trans | 73.1 | 144.1 | 157.2 | -81.3 | 57.3 | 0 | 0 | 0 | 118.8 | | |
| 525 | Q | 33.5 | Very low | 34.8 | Very low | 127 Ų | 127 | 140 Ų | 140 | 59% | 0.593 | 75% | 0.745 | S | S | * | * | | | cis | -165.8 | 168.3 | -14.7 | -134.9 | -168.5 | 30.3 | 0 | 0 | 111.6 | | |
| 526 | M | 37.7 | Very low | 34.7 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | | | trans | 54.4 | 115.2 | 154.1 | -58.4 | -73.4 | -178.6 | 0 | 0 | 119.6 | | |
| 527 | A | 35.2 | Very low | 35.7 | Very low | 94 Ų | 94 | 140.3 Ų | 140.3 | 78% | 0.777 | 74% | 0.741 | S | S | * | * | | | | 88.8 | 158.4 | 81.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 528 | A | 35.2 | Very low | 35.7 | Very low | 85 Ų | 85 | 140.1 Ų | 140.1 | 70% | 0.702 | 74% | 0.74 | S | S | * | * | | | cis | -156.4 | -179.8 | 9.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 529 | V | 35.1 | Very low | 35.5 | Very low | 146 Ų | 146 | 139.4 Ų | 139.4 | 89% | 0.885 | 74% | 0.737 | S | S | * | * | | | trans | 71.4 | 142.9 | 155 | 166.9 | 0 | 0 | 0 | 0 | 118.2 | | |
| 530 | A | 33.8 | Very low | 34.6 | Very low | 76 Ų | 76 | 140.6 Ų | 140.6 | 63% | 0.628 | 74% | 0.737 | S | S | * | * | | | cis | -170.5 | -178.7 | -27.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 531 | R | 38.6 | Very low | 34.5 | Very low | 237 Ų | 237 | 141.2 Ų | 141.2 | 89% | 0.894 | 74% | 0.74 | S | S | * | * | | | trans | 75.9 | 115.8 | 175.9 | -44.5 | 173.1 | 98.2 | 143.6 | 3.2 | 112.6 | | |
| 532 | Q | 36.3 | Very low | 34.6 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | | | cis | 67.2 | 140.3 | 41.1 | -51.6 | -68.9 | -12.6 | 0 | 0 | 112.1 | | |
| 533 | M | 32.9 | Very low | 34.7 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | | | cis | -154.2 | 169.9 | 37.5 | -33 | -163.3 | 77.3 | 0 | 0 | 114.6 | | |
| 534 | F | 33.3 | Very low | 34.8 | Very low | 184 Ų | 184 | 137.6 Ų | 137.6 | 81% | 0.807 | 75% | 0.745 | S | S | * | * | | | trans | 62.5 | 144.1 | 171.9 | -64.2 | -81.3 | 0 | 0 | 0 | 116.9 | | |
| 535 | S | 27.3 | Very low | 34.7 | Very low | 94 Ų | 94 | 139.8 Ų | 139.8 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | | | cis | 137.1 | 118.6 | -2.6 | -82 | 0 | 0 | 0 | 0 | 106 | | |
| 536 | V | 32.8 | Very low | 34.5 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | | 81.6 | 130.8 | 50 | 172.3 | 0 | 0 | 0 | 0 | 112 | | |
| 537 | P | 50.3 | Low | 34.2 | Very low | 104 Ų | 104 | 141.3 Ų | 141.3 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | | | cis | -145.1 | -157.7 | -26.1 | 37 | -13.4 | 0 | 0 | 0 | 114.4 | | |
| 538 | Q | 32.3 | Very low | 34.3 | Very low | 171 Ų | 171 | 141 Ų | 141 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | | | trans | 98.8 | 129.2 | 151.3 | -56.1 | -118.8 | 6.1 | 0 | 0 | 122 | | |
| 539 | S | 37.8 | Very low | 34.6 | Very low | 93 Ų | 93 | 142.1 Ų | 142.1 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | | | trans | -75.6 | 164.7 | 162 | 50.8 | 0 | 0 | 0 | 0 | 114 | | |
| 540 | L | 36.6 | Very low | 34.5 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 72% | 0.723 | 76% | 0.762 | S | S | * | * | | | | 174.9 | 154.6 | 113.7 | -97.1 | 178 | 0 | 0 | 0 | 114.9 | | |
| 541 | L | 31 | Very low | 34.3 | Very low | 149 Ų | 149 | 146.8 Ų | 146.8 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | | | trans | 61.6 | 134.6 | 160.6 | -60.1 | 161.4 | 0 | 0 | 0 | 117.8 | | |
| 542 | Y | 32.4 | Very low | 33.9 | Very low | 206 Ų | 206 | 139.5 Ų | 139.5 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | | | cis | 93.5 | 100 | 29.1 | -161.8 | -73 | 0 | 0 | 0 | 114.3 | | |
| 543 | L | 33.7 | Very low | 33.7 | Very low | 167 Ų | 167 | 138.5 Ų | 138.5 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | | | trans | -159 | 173.9 | 140.1 | -138.1 | 82.9 | 0 | 0 | 0 | 110.8 | | |
| 544 | A | 32 | Very low | 33.6 | Very low | 84 Ų | 84 | 135 Ų | 135 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | | | trans | -136.1 | -166.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 545 | Q | 30.8 | Very low | 34.2 | Very low | 178 Ų | 178 | 132.4 Ų | 132.4 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | | | trans | 91.6 | 86.4 | 152.3 | -156.5 | 164 | 7.6 | 0 | 0 | 119.9 | | |
| 546 | T | 29.3 | Very low | 35.1 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | | | | 43.6 | 137.1 | 127.5 | 65.4 | 0 | 0 | 0 | 0 | 123.8 | | |
| 547 | Q | 30.9 | Very low | 35.3 | Very low | 195 Ų | 195 | 134 Ų | 134 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | | | trans | 105.9 | 144.8 | 136 | -153.9 | 156.6 | -13.7 | 0 | 0 | 118.2 | | |
| 548 | A | 38.8 | Very low | 34.6 | Very low | 86 Ų | 86 | 137.2 Ų | 137.2 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | | | trans | -97.3 | 178.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 549 | P | 41.6 | Very low | 35.1 | Very low | 110 Ų | 110 | 134.1 Ų | 134.1 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | | | | -148.6 | 158.4 | 114.8 | 38.7 | -23.1 | 0 | 0 | 0 | 117.5 | | |
| 550 | H | 32 | Very low | 35.8 | Very low | 175 Ų | 175 | 134.4 Ų | 134.4 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | | 16.2 | 159 | 126.2 | -52 | -56.2 | 0 | 0 | 0 | 121.6 | | |
| 551 | Q | 30 | Very low | 35.6 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | | | cis | -174.2 | 155.8 | -6.4 | -107 | -78 | 32.9 | 0 | 0 | 110.1 | | |
| 552 | A | 29.3 | Very low | 35.9 | Very low | 84 Ų | 84 | 139.2 Ų | 139.2 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | | | trans | -176.4 | 120.2 | 152.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 553 | N | 32.4 | Very low | 36 | Very low | 148 Ų | 148 | 134.8 Ų | 134.8 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | | | | 71.8 | 125.7 | 50 | -62.4 | -20.4 | 0 | 0 | 0 | 113.5 | | |
| 554 | G | 31.8 | Very low | 35.8 | Very low | 74 Ų | 74 | 131.1 Ų | 131.1 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | | | cis | -154.4 | -143.6 | -1.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 555 | P | 45.1 | Very low | 36.2 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | | | cis | -122.9 | -174.9 | -3.8 | 41.5 | -25 | 0 | 0 | 0 | 113.7 | | |
| 556 | P | 45.9 | Very low | 37 | Very low | 118 Ų | 118 | 129 Ų | 129 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | trans | -126 | 157.5 | -160.7 | 41.6 | -29.5 | 0 | 0 | 0 | 118.8 | | |
| 557 | T | 37.1 | Very low | 38 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | | | trans | -155.1 | 163.2 | 150.5 | -7.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 558 | M | 35.2 | Very low | 38.4 | Very low | 171 Ų | 171 | 125.4 Ų | 125.4 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | | | trans | -132.9 | -167.3 | 177.7 | -64.5 | -125.2 | -60.5 | 0 | 0 | 110.5 | | |
| 559 | P | 43.1 | Very low | 38.1 | Very low | 106 Ų | 106 | 127.5 Ų | 127.5 | 69% | 0.688 | 77% | 0.772 | S | S | * | * | | | | -119.6 | -146 | -84.8 | 42.4 | -25.8 | 0 | 0 | 0 | 109.4 | | |
| 560 | P | 52.1 | Low | 37.6 | Very low | 98 Ų | 98 | 130 Ų | 130 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | | | cis | -101.9 | -154.5 | -46.9 | 40.3 | -27 | 0 | 0 | 0 | 109.4 | | |
| 561 | F | 31.9 | Very low | 37.7 | Very low | 185 Ų | 185 | 127.4 Ų | 127.4 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | | | | 165.2 | 131 | 127.5 | -94.8 | -67.7 | 0 | 0 | 0 | 112.7 | | |
| 562 | F | 38 | Very low | 37.9 | Very low | 203 Ų | 203 | 124.9 Ų | 124.9 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | | | trans | -88.3 | 141.5 | 146.1 | -82.3 | -83.6 | 0 | 0 | 0 | 108.2 | | |
| 563 | P | 35.5 | Very low | 38.4 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | | -142.4 | 166.9 | 127 | 38.1 | -26.3 | 0 | 0 | 0 | 112.5 | | |
| 564 | A | 28.4 | Very low | 38.2 | Very low | 91 Ų | 91 | 128.3 Ų | 128.3 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | | | cis | -168.9 | 149.2 | -29.2 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 565 | A | 41.6 | Very low | 38 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | | | trans | -103.2 | 134 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 566 | P | 47.8 | Very low | 37.2 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | | | trans | -141.6 | 162.5 | 155.5 | 38.8 | -25 | 0 | 0 | 0 | 114 | | |
| 567 | P | 50.2 | Low | 36.1 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | | | cis | -130.6 | 178.2 | -38.5 | 42.3 | -28 | 0 | 0 | 0 | 110.7 | | |
| 568 | P | 38.3 | Very low | 35.7 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | | | | -137.7 | 124.9 | 83.6 | 31.3 | -14.3 | 0 | 0 | 0 | 114.7 | | |
| 569 | V | 32.2 | Very low | 35.4 | Very low | 131 Ų | 131 | 129 Ų | 129 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | | | trans | 28.9 | 101.8 | 144.7 | -164.8 | 0 | 0 | 0 | 0 | 118.5 | | |
| 570 | H | 32.4 | Very low | 34.7 | Very low | 162 Ų | 162 | 133 Ų | 133 | 75% | 0.75 | 75% | 0.752 | S | S | * | * | | | trans | -68.8 | 151.1 | 154.1 | -94 | -80.8 | 0 | 0 | 0 | 110.7 | | |
| 571 | P | 34.1 | Very low | 33.6 | Very low | 121 Ų | 121 | 131.7 Ų | 131.7 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | | | | -135.6 | 137.6 | 87 | 36.6 | -24.5 | 0 | 0 | 0 | 115 | | |
| 572 | S | 33.7 | Very low | 33.5 | Very low | 91 Ų | 91 | 132.2 Ų | 132.2 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | | | trans | -96.2 | 159.9 | 142.8 | -46.2 | 0 | 0 | 0 | 0 | 107 | | |
| 573 | P | 40 | Very low | 33.4 | Very low | 100 Ų | 100 | 125.9 Ų | 125.9 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | | | | -155.9 | 174 | 87.6 | 41.6 | -23.1 | 0 | 0 | 0 | 117.5 | | |
| 574 | Y | 27.6 | Very low | 34 | Very low | 204 Ų | 204 | 126.2 Ų | 126.2 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | | | trans | 83.8 | 115.1 | 147 | -68.1 | -42.4 | 0 | 0 | 0 | 123.4 | | |
| 575 | L | 27.8 | Very low | 34.2 | Very low | 138 Ų | 138 | 126.9 Ų | 126.9 | 72% | 0.723 | 75% | 0.747 | S | S | * | * | | | | 90.1 | 119.4 | 124 | -69.7 | 172.5 | 0 | 0 | 0 | 121.9 | | |
| 576 | H | 28 | Very low | 34.2 | Very low | 161 Ų | 161 | 130.5 Ų | 130.5 | 75% | 0.745 | 75% | 0.746 | S | S | * | * | | | trans | 62.2 | 107.1 | 131.7 | -86.1 | 61.7 | 0 | 0 | 0 | 121.4 | | |
| 577 | S | 22.8 | Very low | 33.7 | Very low | 89 Ų | 89 | 132.7 Ų | 132.7 | 62% | 0.622 | 75% | 0.748 | S | S | * | * | | | | 71.6 | 144.8 | 110.9 | -54.6 | 0 | 0 | 0 | 0 | 122.5 | | |
| 578 | H | 29.2 | Very low | 33.2 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | | | trans | 74.7 | 108.8 | 154.5 | -68.7 | -51.4 | 0 | 0 | 0 | 120.8 | | |
| 579 | S | 28 | Very low | 32.8 | Very low | 94 Ų | 94 | 133.9 Ų | 133.9 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | | | | 66.5 | 128.8 | 112.6 | -53.4 | 0 | 0 | 0 | 0 | 121.1 | | |
| 580 | Q | 29.3 | Very low | 32.9 | Very low | 191 Ų | 191 | 133.4 Ų | 133.4 | 89% | 0.893 | 76% | 0.755 | S | S | * | * | | | trans | 68.5 | 162.5 | 154.9 | -51.3 | -92 | 18 | 0 | 0 | 114.6 | | |
| 581 | A | 29 | Very low | 33.1 | Very low | 69 Ų | 69 | 134.7 Ų | 134.7 | 57% | 0.57 | 76% | 0.762 | S | S | * | * | | | cis | -165.6 | -174.7 | -34 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 582 | E | 29.8 | Very low | 33 | Very low | 196 Ų | 196 | 133.5 Ų | 133.5 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | | | trans | 70.5 | 156.7 | 161.4 | -54.5 | -172.6 | 113.3 | 0 | 0 | 118.3 | | |
| 583 | G | 34.9 | Very low | 33.5 | Very low | 70 Ų | 70 | 134.6 Ų | 134.6 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | | | trans | -102.3 | -140.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 584 | P | 49.3 | Very low | 32.9 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | | | cis | -129.3 | -170 | 8.1 | 42.2 | -25.9 | 0 | 0 | 0 | 114.1 | | |
| 585 | S | 31.6 | Very low | 33.2 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | | | trans | -54.1 | 135.2 | 176 | 52.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 586 | H | 42.1 | Very low | 33.6 | Very low | 179 Ų | 179 | 131.8 Ų | 131.8 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | | | trans | -124.5 | 178.1 | 148.5 | 61.5 | -86 | 0 | 0 | 0 | 109.5 | | |
| 587 | M | 37.8 | Very low | 33.9 | Very low | 160 Ų | 160 | 128.9 Ų | 128.9 | 79% | 0.788 | 79% | 0.787 | S | S | * | * | | | trans | -143.5 | 156 | -146.3 | 59.2 | -163.1 | 73 | 0 | 0 | 115 | | |
| 588 | M | 38.3 | Very low | 34.3 | Very low | 194 Ų | 194 | 129.5 Ų | 129.5 | 96% | 0.956 | 80% | 0.798 | S | S | * | * | | | trans | 75.7 | 138.5 | 169.7 | -136.9 | 70 | -175.4 | 0 | 0 | 117.6 | | |
| 589 | G | 30.7 | Very low | 34.6 | Very low | 64 Ų | 64 | 125.6 Ų | 125.6 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | | | trans | 124.3 | 48.9 | 139.9 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 590 | S | 34.7 | Very low | 34.8 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | | | trans | 75 | 148.5 | 145.3 | -53.8 | 0 | 0 | 0 | 0 | 121.9 | | |
| 591 | Q | 35.6 | Very low | 35 | Very low | 188 Ų | 188 | 129.8 Ų | 129.8 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | | | trans | 73.2 | 86.4 | 166.8 | -55.2 | -158.6 | 28.4 | 0 | 0 | 120 | | |
| 592 | A | 32.1 | Very low | 35 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | | | | 61.6 | 162.5 | 124 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 593 | P | 43.8 | Very low | 35.4 | Very low | 115 Ų | 115 | 129.1 Ų | 129.1 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | | | cis | -128.2 | 164.5 | -44.5 | 37.4 | -25.2 | 0 | 0 | 0 | 112 | | |
| 594 | V | 29.5 | Very low | 35.5 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | | | trans | -173.3 | 144.5 | 144 | 133.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 595 | A | 32.9 | Very low | 35 | Very low | 89 Ų | 89 | 133.9 Ų | 133.9 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | | | trans | 24.9 | 116 | 163.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 596 | V | 35.8 | Very low | 35.3 | Very low | 151 Ų | 151 | 136 Ų | 136 | 92% | 0.915 | 79% | 0.794 | S | S | * | * | | | | -132.7 | 133.9 | 112.4 | 179.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 597 | A | 35.1 | Very low | 35 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | | | trans | -90.1 | 137.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 598 | A | 30.8 | Very low | 34.7 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | | | trans | -120.4 | 154.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 599 | A | 35.8 | Very low | 35.2 | Very low | 91 Ų | 91 | 129.6 Ų | 129.6 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | | | trans | -70.7 | 155.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 600 | N | 32.6 | Very low | 35.2 | Very low | 159 Ų | 159 | 130.7 Ų | 130.7 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | | | trans | -161 | 177.7 | 132.8 | -114.1 | -68.4 | 0 | 0 | 0 | 113.7 | | |
| 601 | Y | 32.1 | Very low | 35.1 | Very low | 213 Ų | 213 | 129.4 Ų | 129.4 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | | | trans | -93.7 | 164.2 | -161.1 | -83.3 | -106.2 | 0 | 0 | 0 | 116.8 | | |
| 602 | S | 30.1 | Very low | 34.9 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | | | trans | 98.8 | 139.1 | 137.3 | 77.5 | 0 | 0 | 0 | 0 | 121.5 | | |
| 603 | L | 37 | Very low | 34.9 | Very low | 150 Ų | 150 | 130.8 Ų | 130.8 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | 51.1 | 128.2 | 142.4 | -83.2 | 162.6 | 0 | 0 | 0 | 118.8 | | |
| 604 | Q | 37.4 | Very low | 35 | Very low | 148 Ų | 148 | 130.5 Ų | 130.5 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | | | cis | -178.2 | 134.8 | 40.2 | -176.5 | 159.9 | 63.2 | 0 | 0 | 113.3 | | |
| 605 | Q | 39.2 | Very low | 35.1 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | | | trans | 60 | 134.9 | 151.1 | -75.2 | -171.3 | 104 | 0 | 0 | 124.7 | | |
| 606 | Q | 37.7 | Very low | 35.4 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | | | trans | 70.1 | 144.4 | 148.3 | -62.1 | 166.5 | 26.7 | 0 | 0 | 117.2 | | |
| 607 | M | 35.8 | Very low | 35.3 | Very low | 177 Ų | 177 | 137.3 Ų | 137.3 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | | | cis | -122.2 | 165.9 | 11.8 | -37.5 | 85.5 | -155.9 | 0 | 0 | 114.1 | | |
| 608 | A | 32.7 | Very low | 35.2 | Very low | 94 Ų | 94 | 143.3 Ų | 143.3 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | | | trans | -99.1 | 179.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 609 | P | 47.1 | Very low | 35.3 | Very low | 127 Ų | 127 | 146 Ų | 146 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | cis | -125.6 | -171.6 | 17.2 | 44.1 | -25.7 | 0 | 0 | 0 | 113.3 | | |
| 610 | A | 31.5 | Very low | 35.3 | Very low | 88 Ų | 88 | 147.5 Ų | 147.5 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | cis | -155.1 | 172.4 | 21 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 611 | A | 33.4 | Very low | 35.4 | Very low | 94 Ų | 94 | 144.7 Ų | 144.7 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | | | trans | 63.5 | 139.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 612 | S | 30.2 | Very low | 35.3 | Very low | 106 Ų | 106 | 144.7 Ų | 144.7 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | cis | -171.7 | 120.4 | -30.2 | 42.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 613 | F | 31.8 | Very low | 36 | Very low | 206 Ų | 206 | 145.1 Ų | 145.1 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | | | trans | -134 | 167.7 | 169 | -82.5 | -82.8 | 0 | 0 | 0 | 107.4 | | |
| 614 | P | 47.2 | Very low | 35.6 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | | | cis | -129.5 | 178 | 3.5 | 41.1 | -26.4 | 0 | 0 | 0 | 113.9 | | |
| 615 | Q | 30.8 | Very low | 35.4 | Very low | 193 Ų | 193 | 142.8 Ų | 142.8 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | | | | -169.7 | 160.7 | 114.6 | -104.4 | 175.3 | 9.3 | 0 | 0 | 112.8 | | |
| 616 | R | 39.1 | Very low | 35.6 | Very low | 225 Ų | 225 | 144.4 Ų | 144.4 | 85% | 0.849 | 78% | 0.783 | S | S | * | * | | | trans | -125.5 | 157.7 | 175.5 | -160.3 | -109.2 | -102.4 | -166.7 | -3 | 107.6 | | |
| 617 | V | 34.8 | Very low | 35.3 | Very low | 108 Ų | 108 | 141 Ų | 141 | 66% | 0.655 | 79% | 0.788 | S | S | * | * | | | trans | 77.4 | 108 | -178.7 | -168.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 618 | Y | 31.3 | Very low | 35.6 | Very low | 225 Ų | 225 | 141.3 Ų | 141.3 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | | | | -162 | 142.9 | 115.9 | -114.6 | -77.7 | 0 | 0 | 0 | 110.9 | | |
| 619 | Q | 33.2 | Very low | 36.1 | Very low | 160 Ų | 160 | 144.1 Ų | 144.1 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | | | trans | -109.4 | 135.8 | 169.5 | -87.8 | -92.9 | 87.4 | 0 | 0 | 108.5 | | |
| 620 | P | 37 | Very low | 35.7 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | | | trans | -96.4 | 130.6 | 166.7 | 33.6 | -28.8 | 0 | 0 | 0 | 112 | | |
| 621 | V | 33.4 | Very low | 36.1 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 61% | 0.606 | 80% | 0.795 | S | S | * | * | | | trans | -150.7 | 128.8 | -178.7 | 170.4 | 0 | 0 | 0 | 0 | 105.8 | | |
| 622 | Y | 29.7 | Very low | 36.6 | Very low | 213 Ų | 213 | 144.4 Ų | 144.4 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | | | cis | -147.8 | -149.4 | 3.6 | -140.1 | -147.2 | 0 | 0 | 0 | 106.2 | | |
| 623 | P | 45 | Very low | 37.3 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | | | cis | -131.6 | 170.4 | -18.7 | 38.1 | -21.9 | 0 | 0 | 0 | 114.9 | | |
| 624 | G | 28.9 | Very low | 37.6 | Very low | 61 Ų | 61 | 144.9 Ų | 144.9 | 63% | 0.629 | 80% | 0.795 | S | S | * | * | | | trans | 78.6 | 153.1 | 155.6 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 625 | H | 34.1 | Very low | 37 | Very low | 188 Ų | 188 | 143.2 Ų | 143.2 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | | | cis | -134.4 | 171.7 | -2.1 | -80.8 | -107.1 | 0 | 0 | 0 | 110.7 | | |
| 626 | L | 41.9 | Very low | 37.5 | Very low | 177 Ų | 177 | 138.1 Ų | 138.1 | 93% | 0.927 | 80% | 0.797 | S | S | * | * | | | trans | 65.9 | 64.6 | 171 | -54.9 | 179.7 | 0 | 0 | 0 | 116.9 | | |
| 627 | G | 32.8 | Very low | 37.4 | Very low | 79 Ų | 79 | 131 Ų | 131 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | | | trans | -90.7 | 124.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 628 | M | 40.9 | Very low | 37.6 | Very low | 182 Ų | 182 | 129.2 Ų | 129.2 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | | | trans | -110 | 116.8 | 162.2 | -96.5 | -92.2 | 73 | 0 | 0 | 108.9 | | |
| 629 | L | 43.3 | Very low | 38.4 | Very low | 154 Ų | 154 | 125.7 Ų | 125.7 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | | | trans | -77.8 | 148.3 | -179.2 | -76.3 | 168.1 | 0 | 0 | 0 | 111.8 | A631 | L629-A631 PolarHBondContact O-N 3.31Š|
| 630 | P | 39.8 | Very low | 38.8 | Very low | 115 Ų | 115 | 123.6 Ų | 123.6 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | | | trans | -65.1 | 117 | 169.2 | -17.8 | 31.3 | 0 | 0 | 0 | 111.1 | A632 | P630-A632 VanDerWaalsContact C-N 3.34Å; P630-A632 PolarHBondContact O-N 3.04Å |
| 631 | A | 39.2 | Very low | 39.4 | Very low | 109 Ų | 109 | 127.8 Ų | 127.8 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | | | trans | -70.6 | 86.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L629 | L629-A631 PolarHBondContact O-N 3.31Š|
| 632 | A | 43.6 | Very low | 40.2 | Very low | 91 Ų | 91 | 130 Ų | 130 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | | | trans | -109.5 | 11.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | P630 | P630-A632 VanDerWaalsContact C-N 3.34Å; P630-A632 PolarHBondContact O-N 3.04Å |
| 633 | I | 44.3 | Very low | 41.2 | Very low | 149 Ų | 149 | 127.8 Ų | 127.8 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -133.4 | 146.1 | 168.7 | -61 | -176.8 | 0 | 0 | 0 | 107.8 | | |
| 634 | L | 39.8 | Very low | 41.6 | Very low | 172 Ų | 172 | 125.5 Ų | 125.5 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 81.2 | 114.9 | -171 | -53.1 | 176.2 | 0 | 0 | 0 | 116.1 | | |
| 635 | G | 33.2 | Very low | 43.2 | Very low | 75 Ų | 75 | 127.5 Ų | 127.5 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | 89.4 | 20.1 | 138.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | G637 | G635-G637 VanDerWaalsContact C-N 3.29Å; G635-G637 PolarHBondContact O-N 3.37Å |
| 636 | G | 41.1 | Very low | 45.4 | Very low | 85 Ų | 85 | 122 Ų | 122 | 88% | 0.876 | 78% | 0.779 | S | S | * | * | | | trans | -66.7 | 71.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | G638 | G636-G638 PolarHBondContact O-N 3.5Š|
| 637 | G | 37.1 | Very low | 47.6 | Very low | 76 Ų | 76 | 116.5 Ų | 116.5 | 78% | 0.784 | 76% | 0.755 | S | S | * | * | | | trans | -68.4 | 113.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G635 | G635-G637 VanDerWaalsContact C-N 3.29Å; G635-G637 PolarHBondContact O-N 3.37Å |
| 638 | G | 39.7 | Very low | 50.5 | Low | 70 Ų | 70 | 112.8 Ų | 112.8 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | | | trans | -74.7 | 145.5 | -168 | 0 | 0 | 0 | 0 | 0 | 115.9 | G636 N640 | G636-G638 PolarHBondContact O-N 3.5Å; G638-N640 PolarHBondContact O-N 3.01Å |
| 639 | V | 49.1 | Very low | 52.8 | Low | 151 Ų | 151 | 114.5 Ų | 114.5 | 92% | 0.915 | 72% | 0.715 | S | S | * | * | | | trans | -64.9 | 98.7 | 176.2 | -169.8 | 0 | 0 | 0 | 0 | 110.9 | K641 | V639-K641 PolarHBondContact O-N 3.44Š|
| 640 | N | 39.9 | Very low | 55 | Low | 117 Ų | 117 | 108.7 Ų | 108.7 | 63% | 0.626 | 68% | 0.684 | S | S | * | * | | | trans | -84.3 | 108.1 | 178.7 | -153.8 | -59.1 | 0 | 0 | 0 | 110.9 | G638 K642 | G638-N640 PolarHBondContact O-N 3.01Å; N640-K642 PolarHBondContact O-N 3.22Å; N640-K642 VanDerWaalsContact OD1-CG 3.24Å; N640-K642 WeakPolarHBondContact OD1-CG 3.49Å |
| 641 | K | 51.5 | Low | 57.5 | Low | 208 Ų | 208 | 105.4 Ų | 105.4 | 90% | 0.904 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 57.9 | -175 | -162.6 | -178.3 | 176.5 | 179.1 | 0 | 112.8 | V639 | V639-K641 PolarHBondContact O-N 3.44Š|
| 642 | K | 48.5 | Very low | 59.9 | Low | 147 Ų | 147 | 102.9 Ų | 102.9 | 64% | 0.639 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.7 | 115.7 | 162.7 | 45.2 | 163.5 | -174.8 | 173.2 | 0 | 109.2 | N640 G644 | N640-K642 PolarHBondContact O-N 3.22Å; N640-K642 VanDerWaalsContact OD1-CG 3.24Å; N640-K642 WeakPolarHBondContact OD1-CG 3.49Å; K642-G644 PolarHBondContact O-N 3.18Å |
| 643 | N | 50.9 | Low | 62 | Low | 167 Ų | 167 | 102.7 Ų | 102.7 | 89% | 0.893 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 36.1 | 19.5 | 161.5 | 53.9 | 4.4 | 0 | 0 | 0 | 121.1 | | |
| 644 | G | 54 | Low | 64 | Low | 62 Ų | 62 | 99.8 Ų | 99.8 | 64% | 0.639 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -69 | 132.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111 | K642 V646 | K642-G644 PolarHBondContact O-N 3.18Å; G644-V646 PolarHBondContact O-N 3.49Å |
| 645 | T | 63.2 | Low | 66.3 | Low | 103 Ų | 103 | 94.8 Ų | 94.8 | 63% | 0.632 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 126.7 | 170.5 | 19.9 | 0 | 0 | 0 | 0 | 110.1 | S647 N654 | T645-S647 PolarHBondContact O-N 3.24Å; T645-N654 HydrophobicContact CG2-CB 4.25Å; T645-N654 PolarHBondContact OG1-ND2 3Å |
| 646 | V | 80.6 | Confident | 69.1 | Low | 73 Ų | 73 | 93.7 Ų | 93.7 | 44% | 0.442 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -73.1 | 117.3 | 172.8 | 63.3 | 0 | 0 | 0 | 0 | 109.1 | G644 N654 G655 F657 | G644-V646 PolarHBondContact O-N 3.49Å; V646-N654 WeakPolarHBondContact O-CA 2.99Å; V646-G655 PolarHBondContact O-N 2.75Å; V646-F657 HydrophobicContact CG2-CD2 4.02Å; V646-F657 HydrophobicContact CG2-CE2 4.37Å |
| 647 | S | 88.1 | Confident | 71.4 | Confident | 61 Ų | 61 | 94.8 Ų | 94.8 | 43% | 0.427 | 57% | 0.568 | S | S | . | * | B | Isolated β-bridge | trans | -77.2 | 133.5 | 165.7 | 46.6 | 0 | 0 | 0 | 0 | 109.3 | T645 Y649 N654 | T645-S647 PolarHBondContact O-N 3.24Å; S647-Y649 PolarHBondContact O-N 2.95Å; S647-N654 WeakPolarHBondContact CA-OD1 3.18Å; S647-N654 WeakPolarHBondContact CB-OD1 2.91Å; S647-N654 PolarHBondContact N-OD1 3.27Å |
| 648 | C | 93.3 | Very high | 74 | Confident | 1 Ų | 1 | 93.2 Ų | 93.2 | 1% | 0.007 | 55% | 0.548 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 121.6 | 172.7 | 173.7 | 0 | 0 | 0 | 0 | 109.6 | N650 C651 G652 V653 H656 C661 | C648-N650 PolarHBondContact O-N 3.17Å; C648-N650 VanDerWaalsContact O-N 3.12Å; C648-C651 PolarHBondContact O-N 3.17Å; C648-C651 VanDerWaalsContact SG-SG 3.6Å; C648-G652 VanDerWaalsContact O-CA 3.32Å; C648-G652 WeakPolarHBondContact O-CA 3.14Å; C648-G652 PolarHBondContact O-N 3.3Å; C648-V653 WeakPolarHBondContact CB-O 3.12Å; C648-V653 PolarHBondContact N-O 3.08Å; C648-H656 WeakPolarHBondContact CB-NE2 3.37Å; C648-H656 PolarHBondContact SG-NE2 2.88Å; C648-C661 VanDerWaalsContact SG-CB 3.53Å |
| 649 | Y | 87.6 | Confident | 76.2 | Confident | 219 Ų | 219 | 98 Ų | 98 | 86% | 0.859 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -15.7 | -177.6 | -131.7 | -88.3 | 0 | 0 | 0 | 114 | S647 | S647-Y649 PolarHBondContact O-N 2.95Š|
| 650 | N | 90.4 | Very high | 78 | Confident | 31 Ų | 31 | 95.9 Ų | 95.9 | 17% | 0.166 | 54% | 0.535 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -32.1 | 179.8 | -168.5 | 34.7 | 0 | 0 | 0 | 113.6 | C648 C661 Q663 P664 S665 M666 | C648-N650 PolarHBondContact O-N 3.17Å; C648-N650 VanDerWaalsContact O-N 3.12Å; N650-C661 HydrophobicContact CB-CB 4.31Å; N650-Q663 PolarHBondContact ND2-O 2.8Å; N650-P664 PolarHBondContact ND2-O 2.71Å; N650-P664 PolarHBondContact OD1-O 3.45Å; N650-S665 WeakPolarHBondContact OD1-CA 3.03Å; N650-M666 WeakPolarHBondContact O-CG 3.4Å; N650-M666 PolarHBondContact OD1-N 3.12Å |
| 651 | C | 92 | Very high | 80.6 | Confident | 47 Ų | 47 | 91.1 Ų | 91.1 | 32% | 0.318 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.5 | 0 | -174.5 | 70.8 | 0 | 0 | 0 | 0 | 114.9 | C648 V653 H656 Q663 | C648-C651 PolarHBondContact O-N 3.17Å; C648-C651 VanDerWaalsContact SG-SG 3.6Å; C651-V653 PolarHBondContact O-N 3.42Å; C651-V653 VanDerWaalsContact O-N 3.09Å; C651-H656 PolarHBondContact SG-CE1 2.78Å; C651-H656 PolarHBondContact SG-NE2 3.09Å; C651-H656 VanDerWaalsContact SG-NE2 3.44Å; C651-Q663 HydrophobicContact CB-CG 4.2Å |
| 652 | G | 89.4 | Confident | 82.4 | Confident | 55 Ų | 55 | 89.2 Ų | 89.2 | 57% | 0.567 | 51% | 0.511 | S | S | * | . | | | trans | 75 | -16.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | C648 | C648-G652 VanDerWaalsContact O-CA 3.32Å; C648-G652 WeakPolarHBondContact O-CA 3.14Å; C648-G652 PolarHBondContact O-N 3.3Å |
| 653 | V | 87.9 | Confident | 84.1 | Confident | 87 Ų | 87 | 88 Ų | 88 | 53% | 0.527 | 51% | 0.508 | S | S | . | . | | | trans | -73.2 | 134.9 | -174.1 | -176 | 0 | 0 | 0 | 0 | 111.6 | C648 C651 | C648-V653 WeakPolarHBondContact CB-O 3.12Å; C648-V653 PolarHBondContact N-O 3.08Å; C651-V653 PolarHBondContact O-N 3.42Å; C651-V653 VanDerWaalsContact O-N 3.09Å |
| 654 | N | 86.4 | Confident | 85.5 | Confident | 89 Ų | 89 | 85 Ų | 85 | 48% | 0.476 | 50% | 0.497 | S | S | . | . | B | Isolated β-bridge | trans | -71.8 | 143.3 | 174.8 | -73 | -19.9 | 0 | 0 | 0 | 112.1 | T645 V646 S647 | T645-N654 HydrophobicContact CG2-CB 4.25Å; T645-N654 PolarHBondContact OG1-ND2 3Å; V646-N654 WeakPolarHBondContact O-CA 2.99Å; S647-N654 WeakPolarHBondContact CA-OD1 3.18Å; S647-N654 WeakPolarHBondContact CB-OD1 2.91Å; S647-N654 PolarHBondContact N-OD1 3.27Å |
| 655 | G | 88.8 | Confident | 86.3 | Confident | 66 Ų | 66 | 86.6 Ų | 86.6 | 68% | 0.68 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 108.9 | 3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | V646 | V646-G655 PolarHBondContact O-N 2.75Š|
| 656 | H | 91 | Very high | 86.5 | Confident | 53 Ų | 53 | 87.9 Ų | 87.9 | 25% | 0.245 | 50% | 0.499 | C | S | . | . | S | Bend | trans | -142 | 156.2 | 166.4 | 65.5 | -78.8 | 0 | 0 | 0 | 110.1 | C648 C651 D660 C661 | C648-H656 WeakPolarHBondContact CB-NE2 3.37Å; C648-H656 PolarHBondContact SG-NE2 2.88Å; C651-H656 PolarHBondContact SG-CE1 2.78Å; C651-H656 PolarHBondContact SG-NE2 3.09Å; C651-H656 VanDerWaalsContact SG-NE2 3.44Å; H656-D660 HydrophobicContact CB-CB 4.29Å; H656-C661 PolarHBondContact NE2-SG 3.2Å; H656-C661 VanDerWaalsContact NE2-SG 3.43Å |
| 657 | F | 89.5 | Confident | 85.3 | Confident | 107 Ų | 107 | 89.5 Ų | 89.5 | 47% | 0.469 | 51% | 0.505 | S | S | . | . | | | trans | -84.8 | 164.2 | 175.9 | -160.6 | -114 | 0 | 0 | 0 | 110.5 | V646 Q659 D660 | V646-F657 HydrophobicContact CG2-CD2 4.02Å; V646-F657 HydrophobicContact CG2-CE2 4.37Å; F657-Q659 HydrophobicContact CD1-CB 4.11Å; F657-Q659 HydrophobicContact CD1-CG 3.87Å; F657-Q659 HydrophobicContact CE1-CG 4.15Å; F657-Q659 PolarHBondContact O-N 3.1Å; F657-Q659 VanDerWaalsContact O-N 3.09Å; F657-D660 VanDerWaalsContact CB-OD2 3.32Å; F657-D660 WeakPolarHBondContact CB-OD2 3.48Å; F657-D660 PolarHBondContact N-OD2 3.25Å; F657-D660 PolarHBondContact O-N 3.41Å |
| 658 | A | 91.2 | Very high | 83.7 | Confident | 43 Ų | 43 | 92.6 Ų | 92.6 | 36% | 0.355 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -62.1 | -18.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 659 | Q | 87.4 | Confident | 81.6 | Confident | 170 Ų | 170 | 98 Ų | 98 | 79% | 0.794 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -79 | -23.6 | 175.7 | -66.5 | 172.8 | -1.7 | 0 | 0 | 113 | F657 | F657-Q659 HydrophobicContact CD1-CB 4.11Å; F657-Q659 HydrophobicContact CD1-CG 3.87Å; F657-Q659 HydrophobicContact CE1-CG 4.15Å; F657-Q659 PolarHBondContact O-N 3.1Å; F657-Q659 VanDerWaalsContact O-N 3.09Å |
| 660 | D | 87.1 | Confident | 79.7 | Confident | 107 Ų | 107 | 93.9 Ų | 93.9 | 57% | 0.572 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -98.8 | 12.2 | -179.9 | -45 | -74.1 | 0 | 0 | 0 | 111.9 | H656 F657 | H656-D660 HydrophobicContact CB-CB 4.29Å; F657-D660 VanDerWaalsContact CB-OD2 3.32Å; F657-D660 WeakPolarHBondContact CB-OD2 3.48Å; F657-D660 PolarHBondContact N-OD2 3.25Å; F657-D660 PolarHBondContact O-N 3.41Å |
| 661 | C | 93.8 | Very high | 77.5 | Confident | 18 Ų | 18 | 98.9 Ų | 98.9 | 12% | 0.122 | 58% | 0.582 | C | S | . | * | | | trans | -89.2 | 110.5 | -172.5 | -170.2 | 0 | 0 | 0 | 0 | 111.7 | C648 N650 H656 Q663 | C648-C661 VanDerWaalsContact SG-CB 3.53Å; N650-C661 HydrophobicContact CB-CB 4.31Å; H656-C661 PolarHBondContact NE2-SG 3.2Å; H656-C661 VanDerWaalsContact NE2-SG 3.43Å; C661-Q663 PolarHBondContact O-N 3.43Å |
| 662 | N | 89.6 | Confident | 75.3 | Confident | 168 Ų | 168 | 98.7 Ų | 98.7 | 90% | 0.898 | 59% | 0.589 | S | S | * | * | | | trans | -74.9 | 3.8 | 177.4 | -69 | -32.4 | 0 | 0 | 0 | 114.7 | | |
| 663 | Q | 83.6 | Confident | 73.5 | Confident | 122 Ų | 122 | 99.8 Ų | 99.8 | 57% | 0.57 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -81.7 | 144.8 | 168.8 | -68.4 | -63.5 | -43.7 | 0 | 0 | 109.6 | N650 C651 C661 | N650-Q663 PolarHBondContact ND2-O 2.8Å; C651-Q663 HydrophobicContact CB-CG 4.2Å; C661-Q663 PolarHBondContact O-N 3.43Å |
| 664 | P | 80.9 | Confident | 71.5 | Confident | 102 Ų | 102 | 101.7 Ų | 101.7 | 66% | 0.662 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 147.4 | 170.9 | 26.4 | -34.5 | 0 | 0 | 0 | 109.9 | N650 M666 | N650-P664 PolarHBondContact ND2-O 2.71Å; N650-P664 PolarHBondContact OD1-O 3.45Å; P664-M666 PolarHBondContact O-N 2.98Å |
| 665 | S | 71.4 | Confident | 69.5 | Low | 97 Ų | 97 | 107.9 Ų | 107.9 | 68% | 0.678 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 119.2 | 178.4 | 51.7 | 0 | 0 | 0 | 0 | 110.2 | N650 D667 | N650-S665 WeakPolarHBondContact OD1-CA 3.03Å; S665-D667 PolarHBondContact O-N 3.28Å |
| 666 | M | 67.1 | Low | 67.6 | Low | 130 Ų | 130 | 110.2 Ų | 110.2 | 64% | 0.64 | 62% | 0.618 | S | S | * | * | | | trans | -58.2 | 105.8 | 170.8 | -76.1 | -76 | -74.2 | 0 | 0 | 108.9 | N650 P664 S668 | N650-M666 WeakPolarHBondContact O-CG 3.4Å; N650-M666 PolarHBondContact OD1-N 3.12Å; P664-M666 PolarHBondContact O-N 2.98Å; M666-S668 PolarHBondContact O-N 3.48Å |
| 667 | D | 55 | Low | 65.2 | Low | 107 Ų | 107 | 114.4 Ų | 114.4 | 57% | 0.572 | 64% | 0.643 | S | S | * | * | | | trans | -74.5 | 114.6 | -174.8 | -164.5 | -58.2 | 0 | 0 | 0 | 110.5 | S665 T669 | S665-D667 PolarHBondContact O-N 3.28Å; D667-T669 PolarHBondContact O-N 2.56Å; D667-T669 WeakPolarHBondContact OD1-CB 2.99Å; D667-T669 PolarHBondContact OD1-N 2.7Å; D667-T669 PolarHBondContact OD1-OG1 3.06Å |
| 668 | S | 54.8 | Low | 62.8 | Low | 126 Ų | 126 | 117.8 Ų | 117.8 | 88% | 0.881 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 0.8 | -175.9 | -56.9 | 0 | 0 | 0 | 0 | 114.8 | M666 | M666-S668 PolarHBondContact O-N 3.48Š|
| 669 | T | 49.9 | Very low | 59.9 | Low | 114 Ų | 114 | 119.9 Ų | 119.9 | 70% | 0.699 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | 3.2 | -172.9 | -39.2 | 0 | 0 | 0 | 0 | 113.7 | D667 P671 | D667-T669 PolarHBondContact O-N 2.56Å; D667-T669 WeakPolarHBondContact OD1-CB 2.99Å; D667-T669 PolarHBondContact OD1-N 2.7Å; D667-T669 PolarHBondContact OD1-OG1 3.06Å; T669-P671 WeakPolarHBondContact O-CD 3.23Å |
| 670 | Q | 45.7 | Very low | 57.3 | Low | 133 Ų | 133 | 116.4 Ų | 116.4 | 62% | 0.621 | 68% | 0.675 | S | S | * | * | | | trans | -98.5 | 102.3 | 179.6 | -75.2 | -76.6 | -7.8 | 0 | 0 | 112.3 | G672 F674 | Q670-G672 PolarHBondContact O-N 3.46Å; Q670-F674 HydrophobicContact CB-CE1 4.29Å; Q670-F674 HydrophobicContact CB-CZ 3.59Å; Q670-F674 WeakPolarHBondContact O-CZ 3.35Å |
| 671 | P | 46 | Very low | 54.8 | Low | 135 Ų | 135 | 116.2 Ų | 116.2 | 88% | 0.877 | 68% | 0.682 | S | S | * | * | | | trans | -77 | 61.3 | 172.6 | 34 | -36.9 | 0 | 0 | 0 | 111 | T669 | T669-P671 WeakPolarHBondContact O-CD 3.23Š|
| 672 | G | 45.7 | Very low | 52.5 | Low | 44 Ų | 44 | 121 Ų | 121 | 45% | 0.454 | 72% | 0.716 | S | S | . | * | S | Bend | trans | -128.4 | 18.3 | -158.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | Q670 F674 | Q670-G672 PolarHBondContact O-N 3.46Å; G672-F674 PolarHBondContact O-N 3.38Å |
| 673 | G | 51 | Low | 50.1 | Low | 77 Ų | 77 | 120.7 Ų | 120.7 | 79% | 0.794 | 71% | 0.712 | S | S | * | * | | | trans | 62.7 | 42.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | R675 | G673-R675 PolarHBondContact O-N 2.95Š|
| 674 | F | 45.8 | Very low | 47.7 | Very low | 128 Ų | 128 | 120.2 Ų | 120.2 | 56% | 0.561 | 72% | 0.723 | S | S | * | * | | | trans | -73.4 | 124.3 | 175.8 | -15.8 | -68.5 | 0 | 0 | 0 | 110.8 | Q670 G672 V676 | Q670-F674 HydrophobicContact CB-CE1 4.29Å; Q670-F674 HydrophobicContact CB-CZ 3.59Å; Q670-F674 WeakPolarHBondContact O-CZ 3.35Å; G672-F674 PolarHBondContact O-N 3.38Å; F674-V676 PolarHBondContact O-N 2.64Å |
| 675 | R | 44.3 | Very low | 45.5 | Very low | 219 Ų | 219 | 124.8 Ų | 124.8 | 83% | 0.826 | 74% | 0.735 | S | S | * | * | | | trans | -64.3 | 121.9 | 164 | -73.4 | 170 | 163.5 | -97.1 | -2 | 108.2 | G673 N677 | G673-R675 PolarHBondContact O-N 2.95Å; R675-N677 VanDerWaalsContact C-N 3.29Å; R675-N677 PolarHBondContact O-N 3.02Å |
| 676 | V | 48.3 | Very low | 43.7 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | | | trans | -64.6 | 99.4 | 159.8 | -178.5 | 0 | 0 | 0 | 0 | 106 | F674 F678 | F674-V676 PolarHBondContact O-N 2.64Å; V676-F678 HydrophobicContact CB-CD2 4.17Å; V676-F678 HydrophobicContact CB-CE2 3.99Å; V676-F678 HydrophobicContact CG1-CD2 3.74Å; V676-F678 HydrophobicContact CG1-CE2 3.56Å; V676-F678 HydrophobicContact CG1-CG 4.4Å; V676-F678 HydrophobicContact CG1-CZ 4.08Å; V676-F678 WeakPolarHBondContact O-CD2 3.16Å; V676-F678 PolarHBondContact O-N 3.18Å |
| 677 | N | 41.7 | Very low | 42.6 | Very low | 141 Ų | 141 | 126.9 Ų | 126.9 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | | | trans | -70.7 | 81.4 | 171 | -88.8 | 10 | 0 | 0 | 0 | 108.2 | R675 A679 | R675-N677 VanDerWaalsContact C-N 3.29Å; R675-N677 PolarHBondContact O-N 3.02Å; N677-A679 PolarHBondContact O-N 2.95Å |
| 678 | F | 38.1 | Very low | 41.8 | Very low | 178 Ų | 178 | 128.2 Ų | 128.2 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | | | trans | -55.9 | 94.7 | 151 | -70 | -85.6 | 0 | 0 | 0 | 106.9 | V676 A680 | V676-F678 HydrophobicContact CB-CD2 4.17Å; V676-F678 HydrophobicContact CB-CE2 3.99Å; V676-F678 HydrophobicContact CG1-CD2 3.74Å; V676-F678 HydrophobicContact CG1-CE2 3.56Å; V676-F678 HydrophobicContact CG1-CG 4.4Å; V676-F678 HydrophobicContact CG1-CZ 4.08Å; V676-F678 WeakPolarHBondContact O-CD2 3.16Å; V676-F678 PolarHBondContact O-N 3.18Å; F678-A680 PolarHBondContact O-N 2.74Å; F678-A680 VanDerWaalsContact O-N 3.08Å |
| 679 | A | 30.3 | Very low | 40.7 | Very low | 88 Ų | 88 | 130 Ų | 130 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | -55.5 | 115.9 | 158 | 0 | 0 | 0 | 0 | 0 | 105.8 | N677 S681 | N677-A679 PolarHBondContact O-N 2.95Å; A679-S681 VanDerWaalsContact C-N 3.27Å; A679-S681 PolarHBondContact O-N 3.45Å |
| 680 | A | 33.2 | Very low | 40.2 | Very low | 96 Ų | 96 | 128.1 Ų | 128.1 | 79% | 0.793 | 76% | 0.758 | S | S | * | * | | | trans | -70.7 | 88.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | F678 S682 | F678-A680 PolarHBondContact O-N 2.74Å; F678-A680 VanDerWaalsContact O-N 3.08Å; A680-S682 PolarHBondContact O-N 3.32Å |
| 681 | S | 35.6 | Very low | 39.8 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | | | trans | -52.2 | 115.2 | 163.7 | -65.7 | 0 | 0 | 0 | 0 | 107.5 | A679 I683 | A679-S681 VanDerWaalsContact C-N 3.27Å; A679-S681 PolarHBondContact O-N 3.45Å; S681-I683 PolarHBondContact O-N 2.81Å |
| 682 | S | 43.8 | Very low | 39.5 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | trans | -67.8 | 95.1 | -169.5 | 52.2 | 0 | 0 | 0 | 0 | 111.3 | A680 | A680-S682 PolarHBondContact O-N 3.32Š|
| 683 | I | 39.3 | Very low | 39.2 | Very low | 161 Ų | 161 | 135.1 Ų | 135.1 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | | | trans | -130.9 | 61 | 170.5 | 53.9 | 163.1 | 0 | 0 | 0 | 110.8 | S681 | S681-I683 PolarHBondContact O-N 2.81Š|
| 684 | S | 33.8 | Very low | 38.5 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | | | trans | -90.8 | 165.7 | 151.9 | -62.4 | 0 | 0 | 0 | 0 | 109 | | |
| 685 | E | 34.4 | Very low | 38.1 | Very low | 198 Ų | 198 | 138.9 Ų | 138.9 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | | | trans | 67.7 | 75.2 | 175.8 | -56 | -171.1 | 92.2 | 0 | 0 | 116.7 | | |
| 686 | A | 34.9 | Very low | 37.7 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | | | trans | -164.5 | 74.3 | 133.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 687 | L | 43.9 | Very low | 37 | Very low | 166 Ų | 166 | 135.3 Ų | 135.3 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | | | trans | -88.6 | 129.7 | 161 | -103.6 | 172.9 | 0 | 0 | 0 | 108.9 | | |
| 688 | D | 36.8 | Very low | 36.7 | Very low | 135 Ų | 135 | 134.9 Ų | 134.9 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | | | trans | 42.8 | 93.2 | 137.7 | -155 | -121.7 | 0 | 0 | 0 | 117.8 | | |
| 689 | N | 32.5 | Very low | 36.5 | Very low | 162 Ų | 162 | 131.5 Ų | 131.5 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | | | trans | -145.1 | 144.5 | 134.2 | -87.2 | -106 | 0 | 0 | 0 | 105.9 | | |
| 690 | A | 39.6 | Very low | 37.1 | Very low | 76 Ų | 76 | 135.2 Ų | 135.2 | 63% | 0.628 | 82% | 0.821 | S | S | * | * | | | cis | -176.4 | 162.8 | -25.5 | 0 | 0 | 0 | 0 | 0 | 105.4 | | |
| 691 | D | 37.1 | Very low | 37.4 | Very low | 188 Ų | 188 | 138.7 Ų | 138.7 | 100% | 1.005 | 82% | 0.823 | S | S | * | * | | | trans | 68.6 | 0 | 170.8 | -139.9 | -134.5 | 0 | 0 | 0 | 117.2 | | |