| 1 | M | 35.5 | Very low | 46.1 | Very low | 249 Ų | 249 | 149.8 Ų | 149.8 | 100% | 1.227 | 82% | 0.819 | S | S | * | * | | | | 0 | 108.9 | 0 | -63.6 | 169.6 | 175.9 | 0 | 0 | 107.6 | | |
| 2 | A | 39.5 | Very low | 46.9 | Very low | 107 Ų | 107 | 153.9 Ų | 153.9 | 88% | 0.884 | 81% | 0.813 | S | S | * | * | | | trans | 162.1 | 106.9 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 3 | Q | 37 | Very low | 47.6 | Very low | 192 Ų | 192 | 154.6 Ų | 154.6 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | | | trans | -76.2 | 148.8 | 165.1 | -63.7 | 170.3 | -73.8 | 0 | 0 | 109.4 | | |
| 4 | R | 40.5 | Very low | 48.2 | Very low | 238 Ų | 238 | 150.6 Ų | 150.6 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | | | trans | 175 | 96.9 | 144.7 | -102.5 | 165.2 | -177.6 | -166.5 | -0.1 | 109.5 | | |
| 5 | S | 52.6 | Low | 48.4 | Very low | 106 Ų | 106 | 146.2 Ų | 146.2 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | | 98 | 90.8 | 92.5 | -72.1 | 0 | 0 | 0 | 0 | 110.3 | E7 | S5-E7 PolarHBondContact O-N 2.89Š|
| 6 | T | 47.1 | Very low | 49 | Very low | 146 Ų | 146 | 148.2 Ų | 148.2 | 90% | 0.896 | 77% | 0.771 | S | S | * | * | | | trans | -61.9 | 95.2 | 162.9 | 39 | 0 | 0 | 0 | 0 | 109.2 | G8 | T6-G8 VanDerWaalsContact C-N 3.29Å; T6-G8 PolarHBondContact O-N 3.34Å |
| 7 | E | 46.5 | Very low | 49.5 | Very low | 168 Ų | 168 | 144.5 Ų | 144.5 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | trans | -82.7 | 81.2 | 174.1 | -147.2 | 171.3 | 112.6 | 0 | 0 | 108.9 | S5 H9 | S5-E7 PolarHBondContact O-N 2.89Å; E7-H9 PolarHBondContact O-N 3.06Å |
| 8 | G | 48.7 | Very low | 49.9 | Very low | 56 Ų | 56 | 141 Ų | 141 | 58% | 0.577 | 78% | 0.781 | S | S | * | * | | | trans | -67.1 | 109.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109 | T6 T10 | T6-G8 VanDerWaalsContact C-N 3.29Å; T6-G8 PolarHBondContact O-N 3.34Å; G8-T10 PolarHBondContact O-N 3.02Å; G8-T10 PolarHBondContact O-OG1 2.72Å; G8-T10 VanDerWaalsContact O-OG1 3.08Å; G8-T10 VanDerWaalsContact C-N 3.28Å |
| 9 | H | 48.7 | Very low | 49.9 | Very low | 179 Ų | 179 | 141.9 Ų | 141.9 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | | | trans | -53.6 | 94.5 | 168.3 | -72.5 | -76.9 | 0 | 0 | 0 | 109.1 | E7 T11 | E7-H9 PolarHBondContact O-N 3.06Å; H9-T11 PolarHBondContact O-N 3.23Å |
| 10 | T | 53 | Low | 50 | Low | 109 Ų | 109 | 138.8 Ų | 138.8 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | | | trans | -94.6 | 94.1 | 176.1 | -52.1 | 0 | 0 | 0 | 0 | 105.9 | G8 R12 | G8-T10 PolarHBondContact O-N 3.02Å; G8-T10 PolarHBondContact O-OG1 2.72Å; G8-T10 VanDerWaalsContact O-OG1 3.08Å; G8-T10 VanDerWaalsContact C-N 3.28Å; T10-R12 HydrophobicContact CG2-CG 4.49Å; T10-R12 PolarHBondContact O-N 3.21Å |
| 11 | T | 57.7 | Low | 50.1 | Low | 98 Ų | 98 | 135.9 Ų | 135.9 | 60% | 0.601 | 76% | 0.759 | S | S | * | * | | | trans | -59.7 | 107 | 172.7 | -51.7 | 0 | 0 | 0 | 0 | 108.4 | H9 Y13 | H9-T11 PolarHBondContact O-N 3.23Å; T11-Y13 HydrophobicContact CG2-CE1 4.23Å; T11-Y13 VanDerWaalsContact CG2-CE2 3.46Å; T11-Y13 HydrophobicContact CG2-CE2 3.46Å; T11-Y13 HydrophobicContact CG2-CD2 4.03Å |
| 12 | R | 56.2 | Low | 51 | Low | 199 Ų | 199 | 132 Ų | 132 | 75% | 0.751 | 74% | 0.738 | S | S | * | * | | | trans | -92.3 | 100.7 | 176.6 | -72.6 | -174.8 | 177 | -173.2 | 0.4 | 108.4 | T10 | T10-R12 HydrophobicContact CG2-CG 4.49Å; T10-R12 PolarHBondContact O-N 3.21Å |
| 13 | Y | 56.3 | Low | 51.5 | Low | 163 Ų | 163 | 131 Ų | 131 | 64% | 0.639 | 72% | 0.718 | S | S | * | * | | | trans | -74.3 | 125.2 | 168.8 | -63.1 | -89.7 | 0 | 0 | 0 | 109.2 | T11 | T11-Y13 HydrophobicContact CG2-CE1 4.23Å; T11-Y13 VanDerWaalsContact CG2-CE2 3.46Å; T11-Y13 HydrophobicContact CG2-CE2 3.46Å; T11-Y13 HydrophobicContact CG2-CD2 4.03Å |
| 14 | V | 55.2 | Low | 52.1 | Low | 99 Ų | 99 | 130.5 Ų | 130.5 | 60% | 0.6 | 72% | 0.715 | S | S | * | * | | | trans | -97.4 | 106.5 | 172.5 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | K16 | V14-K16 HydrophobicContact CG1-CG 4.44Å; V14-K16 PolarHBondContact O-N 3.22Å |
| 15 | C | 51.8 | Low | 52.8 | Low | 84 Ų | 84 | 124.3 Ų | 124.3 | 57% | 0.568 | 71% | 0.709 | S | S | * | * | | | trans | -79.9 | 107.4 | 172.6 | -64.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 16 | K | 57.7 | Low | 52.8 | Low | 178 Ų | 178 | 125.1 Ų | 125.1 | 77% | 0.774 | 70% | 0.704 | S | S | * | * | B | Isolated β-bridge | trans | -107.8 | 127.2 | 164.6 | -87.2 | -175.7 | 175.9 | 178 | 0 | 109.2 | V14 G18 | V14-K16 HydrophobicContact CG1-CG 4.44Å; V14-K16 PolarHBondContact O-N 3.22Å; K16-G18 PolarHBondContact O-N 2.7Å |
| 17 | G | 57.4 | Low | 53 | Low | 86 Ų | 86 | 125.5 Ų | 125.5 | 89% | 0.887 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.9 | 22.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | K19 | G17-K19 PolarHBondContact O-N 2.91Š|
| 18 | G | 56 | Low | 52.9 | Low | 81 Ų | 81 | 122.1 Ų | 122.1 | 84% | 0.835 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.9 | 8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | K16 | K16-G18 PolarHBondContact O-N 2.7Š|
| 19 | K | 50.6 | Low | 53.1 | Low | 159 Ų | 159 | 126.3 Ų | 126.3 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | B | Isolated β-bridge | trans | -107.4 | 125 | 168.2 | -67.3 | -172.9 | 176.6 | -175.5 | 0 | 108.6 | G17 S21 | G17-K19 PolarHBondContact O-N 2.91Å; K19-S21 PolarHBondContact O-N 3.11Å |
| 20 | A | 52.5 | Low | 53.3 | Low | 78 Ų | 78 | 123.6 Ų | 123.6 | 65% | 0.645 | 70% | 0.701 | S | S | * | * | | | trans | -71.6 | 90.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 106 | E22 | A20-E22 PolarHBondContact O-N 3.37Š|
| 21 | S | 52.4 | Low | 53.2 | Low | 79 Ų | 79 | 124.7 Ų | 124.7 | 55% | 0.552 | 71% | 0.713 | S | S | * | * | | | trans | -78 | 115.8 | 168.7 | -83.8 | 0 | 0 | 0 | 0 | 107.4 | K19 D23 | K19-S21 PolarHBondContact O-N 3.11Å; S21-D23 PolarHBondContact O-N 3.4Å |
| 22 | E | 54.6 | Low | 52.7 | Low | 166 Ų | 166 | 122.9 Ų | 122.9 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | | | trans | -64.7 | 81.4 | 158.4 | -68.5 | -179.5 | 101.2 | 0 | 0 | 106.8 | A20 E24 | A20-E22 PolarHBondContact O-N 3.37Å; E22-E24 PolarHBondContact O-N 3.09Å |
| 23 | D | 49.9 | Very low | 52.6 | Low | 86 Ų | 86 | 119.4 Ų | 119.4 | 46% | 0.46 | 71% | 0.711 | S | S | . | * | | | trans | -77.6 | 78.5 | 171.4 | -142.8 | -69.3 | 0 | 0 | 0 | 107.1 | S21 S25 L26 | S21-D23 PolarHBondContact O-N 3.4Å; D23-S25 PolarHBondContact O-N 3.15Å; D23-L26 HydrophobicContact CB-CB 4.45Å; D23-L26 HydrophobicContact CB-CD1 3.78Å; D23-L26 HydrophobicContact CB-CG 4.16Å; D23-L26 PolarHBondContact O-N 2.83Å; D23-L26 WeakPolarHBondContact OD1-CG 3.48Å |
| 24 | E | 49.4 | Very low | 52.3 | Low | 182 Ų | 182 | 123.5 Ų | 123.5 | 85% | 0.85 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -5.1 | 172.7 | -74.8 | -165.4 | 87.9 | 0 | 0 | 112.3 | E22 | E22-E24 PolarHBondContact O-N 3.09Š|
| 25 | S | 53.7 | Low | 52.1 | Low | 108 Ų | 108 | 124.7 Ų | 124.7 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | -1.3 | -175.6 | -71.5 | 0 | 0 | 0 | 0 | 115.8 | D23 | D23-S25 PolarHBondContact O-N 3.15Š|
| 26 | L | 54.3 | Low | 51.9 | Low | 123 Ų | 123 | 128.9 Ų | 128.9 | 64% | 0.644 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -89.5 | -6.3 | 178.6 | -80.5 | 169.9 | 0 | 0 | 0 | 115 | D23 | D23-L26 HydrophobicContact CB-CB 4.45Å; D23-L26 HydrophobicContact CB-CD1 3.78Å; D23-L26 HydrophobicContact CB-CG 4.16Å; D23-L26 PolarHBondContact O-N 2.83Å; D23-L26 WeakPolarHBondContact OD1-CG 3.48Å |
| 27 | F | 49.5 | Very low | 52 | Low | 154 Ų | 154 | 128.8 Ų | 128.8 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | | | trans | -127.7 | 72.5 | 175.3 | -61.4 | -83.5 | 0 | 0 | 0 | 109.6 | L29 | F27-L29 PolarHBondContact O-N 3.34Š|
| 28 | A | 45.8 | Very low | 51.6 | Low | 97 Ų | 97 | 134.4 Ų | 134.4 | 80% | 0.802 | 74% | 0.74 | S | S | * | * | | | trans | -59.3 | 89.1 | 156.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 29 | L | 52.7 | Low | 51.3 | Low | 144 Ų | 144 | 140.6 Ų | 140.6 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | | | trans | -55.7 | 124.2 | 166.2 | -74 | 160.3 | 0 | 0 | 0 | 106 | F27 S31 | F27-L29 PolarHBondContact O-N 3.34Å; L29-S31 PolarHBondContact O-N 3.26Å |
| 30 | P | 53.4 | Low | 51.6 | Low | 122 Ų | 122 | 141.3 Ų | 141.3 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | | | trans | -57 | 115.9 | 172.2 | 23 | -30.1 | 0 | 0 | 0 | 106.8 | G32 | P30-G32 PolarHBondContact O-N 3.02Š|
| 31 | S | 50.5 | Low | 51.3 | Low | 133 Ų | 133 | 144.6 Ų | 144.6 | 93% | 0.93 | 76% | 0.756 | S | S | * | * | | | trans | -60.1 | 103.9 | 175.7 | -69.1 | 0 | 0 | 0 | 0 | 107.9 | L29 | L29-S31 PolarHBondContact O-N 3.26Š|
| 32 | G | 46.6 | Very low | 51.5 | Low | 60 Ų | 60 | 147.9 Ų | 147.9 | 62% | 0.619 | 77% | 0.767 | S | S | * | * | | | trans | -165.4 | 129.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | P30 | P30-G32 PolarHBondContact O-N 3.02Š|
| 33 | D | 55.2 | Low | 51.3 | Low | 126 Ų | 126 | 151.3 Ų | 151.3 | 67% | 0.674 | 77% | 0.772 | S | S | * | * | | | trans | 73.3 | 67 | 170 | -79.5 | -106 | 0 | 0 | 0 | 118.4 | Q35 | D33-Q35 PolarHBondContact O-N 3.08Å; D33-Q35 VanDerWaalsContact O-N 3.08Å; D33-Q35 WeakPolarHBondContact OD1-CG 3.42Å; D33-Q35 PolarHBondContact OD1-NE2 3.1Å |
| 34 | R | 48.7 | Very low | 51.3 | Low | 249 Ų | 249 | 152.7 Ų | 152.7 | 94% | 0.94 | 79% | 0.789 | S | S | * | * | | | trans | -73.8 | 75.7 | 145.5 | -69.5 | -179.8 | 112 | 171.8 | 4.8 | 109.1 | | |
| 35 | Q | 52.5 | Low | 51.4 | Low | 124 Ų | 124 | 149.6 Ų | 149.6 | 58% | 0.579 | 79% | 0.785 | S | S | * | * | | | trans | -86.5 | 111 | 166.2 | -76.3 | -161.3 | 70.6 | 0 | 0 | 110.3 | D33 F37 | D33-Q35 PolarHBondContact O-N 3.08Å; D33-Q35 VanDerWaalsContact O-N 3.08Å; D33-Q35 WeakPolarHBondContact OD1-CG 3.42Å; D33-Q35 PolarHBondContact OD1-NE2 3.1Å; Q35-F37 PolarHBondContact O-N 3.32Å; Q35-F37 HydrophobicContact CB-CE2 3.71Å; Q35-F37 HydrophobicContact CB-CD2 4.29Å; Q35-F37 HydrophobicContact CB-CZ 4.38Å |
| 36 | L | 47.5 | Very low | 51.5 | Low | 172 Ų | 172 | 149.8 Ų | 149.8 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | | | trans | -61.5 | 108.3 | 170.1 | -78 | 108.8 | 0 | 0 | 0 | 109.9 | | |
| 37 | F | 58.2 | Low | 51.4 | Low | 176 Ų | 176 | 149 Ų | 149 | 77% | 0.772 | 80% | 0.797 | S | S | * | * | | | trans | -101.8 | 115.4 | 163.8 | -72.2 | -77.3 | 0 | 0 | 0 | 110.6 | Q35 | Q35-F37 PolarHBondContact O-N 3.32Å; Q35-F37 HydrophobicContact CB-CE2 3.71Å; Q35-F37 HydrophobicContact CB-CD2 4.29Å; Q35-F37 HydrophobicContact CB-CZ 4.38Å |
| 38 | K | 48.9 | Very low | 51.5 | Low | 204 Ų | 204 | 148.3 Ų | 148.3 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | | | trans | -49.9 | 135.6 | 176.9 | -90.6 | 167.6 | 166.7 | 173 | 0 | 112.1 | E40 | K38-E40 PolarHBondContact O-N 3.41Š|
| 39 | K | 51.6 | Low | 52 | Low | 210 Ų | 210 | 152.7 Ų | 152.7 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | | | trans | -75.3 | 105.4 | 170.1 | -173.4 | 175.2 | -175.8 | 176.9 | 0 | 109.3 | | |
| 40 | E | 55 | Low | 52 | Low | 175 Ų | 175 | 155.9 Ų | 155.9 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -113.7 | 143.8 | 164.9 | -153.8 | 175.6 | 103.8 | 0 | 0 | 109.9 | K38 | K38-E40 PolarHBondContact O-N 3.41Š|
| 41 | N | 47.4 | Very low | 52.3 | Low | 146 Ų | 146 | 157.6 Ų | 157.6 | 78% | 0.781 | 81% | 0.81 | S | S | * | * | | | trans | -115.8 | 105 | -150.5 | -169.3 | -16.9 | 0 | 0 | 0 | 108.5 | | |
| 42 | L | 55.9 | Low | 52.5 | Low | 149 Ų | 149 | 156.9 Ų | 156.9 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | | | trans | -141.1 | 84.8 | 178.5 | -90.6 | 133.7 | 0 | 0 | 0 | 111.9 | | |
| 43 | R | 50.7 | Low | 52.8 | Low | 237 Ų | 237 | 159.2 Ų | 159.2 | 89% | 0.894 | 82% | 0.815 | S | S | * | * | | | trans | 22.7 | 112.6 | 130.9 | -141.8 | 173.3 | -173.4 | -178.7 | 0.8 | 117.6 | | |
| 44 | S | 51.1 | Low | 52.8 | Low | 115 Ų | 115 | 156 Ų | 156 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | -67 | 159.5 | 169.3 | -48.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 45 | P | 50.9 | Low | 53.4 | Low | 118 Ų | 118 | 150.3 Ų | 150.3 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | | | | -137.9 | 136.3 | 126.4 | 29.4 | -12.3 | 0 | 0 | 0 | 114.9 | | |
| 46 | S | 55.3 | Low | 53.5 | Low | 111 Ų | 111 | 152.2 Ų | 152.2 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | | | trans | 67.5 | 94.8 | 135.8 | -52.8 | 0 | 0 | 0 | 0 | 120.4 | D48 | S46-D48 PolarHBondContact O-N 2.88Š|
| 47 | A | 51.7 | Low | 53.8 | Low | 106 Ų | 106 | 149.9 Ų | 149.9 | 88% | 0.876 | 82% | 0.816 | S | S | * | * | | | trans | -2.5 | 106.2 | 130.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 48 | D | 53 | Low | 53.6 | Low | 140 Ų | 140 | 149.4 Ų | 149.4 | 75% | 0.749 | 82% | 0.821 | S | S | * | * | | | trans | -146.5 | 100.2 | 149.8 | -168.5 | -97.3 | 0 | 0 | 0 | 108.3 | S46 | S46-D48 PolarHBondContact O-N 2.88Š|
| 49 | K | 56.2 | Low | 53.6 | Low | 189 Ų | 189 | 148.3 Ų | 148.3 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | | | trans | 170.3 | 115.8 | 137.7 | -93.2 | 169.9 | -174.9 | -175.7 | 0 | 111.7 | | |
| 50 | K | 51.5 | Low | 53.5 | Low | 212 Ų | 212 | 141.7 Ų | 141.7 | 92% | 0.922 | 81% | 0.81 | S | S | * | * | | | trans | -50.8 | 129.3 | 176.7 | -61.2 | 174.7 | 176.4 | -170.6 | 0 | 112.6 | | |
| 51 | I | 60.1 | Low | 53.5 | Low | 157 Ų | 157 | 142 Ų | 142 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | | | trans | -112.6 | 121.7 | 159.7 | -52.8 | 174.5 | 0 | 0 | 0 | 106.7 | A53 | I51-A53 PolarHBondContact O-N 3.06Š|
| 52 | P | 54.3 | Low | 53.7 | Low | 119 Ų | 119 | 144.5 Ų | 144.5 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | | | trans | -73.1 | 122.5 | -178.7 | 28 | -31.8 | 0 | 0 | 0 | 110.9 | G54 | P52-G54 PolarHBondContact O-N 3.05Š|
| 53 | A | 52.4 | Low | 53.5 | Low | 108 Ų | 108 | 146 Ų | 146 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | | | trans | -77.6 | 94.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | I51 | I51-A53 PolarHBondContact O-N 3.06Š|
| 54 | G | 56.2 | Low | 53.4 | Low | 60 Ų | 60 | 139.1 Ų | 139.1 | 62% | 0.619 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 149.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P52 | P52-G54 PolarHBondContact O-N 3.05Š|
| 55 | P | 60.2 | Low | 53.4 | Low | 129 Ų | 129 | 138.5 Ų | 138.5 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 130.2 | -177.9 | 27.7 | -31.8 | 0 | 0 | 0 | 111.4 | | |
| 56 | L | 55.5 | Low | 53.5 | Low | 163 Ų | 163 | 137.6 Ų | 137.6 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 128.4 | 171.5 | -72.2 | 164 | 0 | 0 | 0 | 109.5 | | |
| 57 | P | 53.6 | Low | 53.6 | Low | 123 Ų | 123 | 142.8 Ų | 142.8 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 135.3 | 177.5 | 24.3 | -30.9 | 0 | 0 | 0 | 112.2 | | |
| 58 | L | 53.5 | Low | 53.5 | Low | 167 Ų | 167 | 144.4 Ų | 144.4 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 168 | 168.8 | -75.1 | 123.9 | 0 | 0 | 0 | 112 | | |
| 59 | E | 49.8 | Very low | 53.2 | Low | 180 Ų | 180 | 143 Ų | 143 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | | | trans | 86.3 | 72.3 | 173.5 | -63.5 | -166.7 | 76.7 | 0 | 0 | 117.6 | | |
| 60 | G | 49 | Very low | 53 | Low | 71 Ų | 71 | 140.1 Ų | 140.1 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | | | trans | -98 | 100.1 | 152.2 | 0 | 0 | 0 | 0 | 0 | 110 | H62 | G60-H62 PolarHBondContact O-N 3.2Š|
| 61 | K | 55.9 | Low | 52.5 | Low | 182 Ų | 182 | 140.1 Ų | 140.1 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | | | trans | -48.7 | 126.9 | 173.4 | -74.8 | 174.7 | 176.1 | 177.2 | 0 | 111.1 | M63 | K61-M63 PolarHBondContact O-N 2.75Š|
| 62 | H | 51.7 | Low | 51.7 | Low | 199 Ų | 199 | 137 Ų | 137 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | | | trans | -61 | 106.2 | 167.1 | -84.8 | -121.8 | 0 | 0 | 0 | 108.9 | G60 | G60-H62 PolarHBondContact O-N 3.2Š|
| 63 | M | 50.3 | Low | 51.2 | Low | 181 Ų | 181 | 139 Ų | 139 | 89% | 0.892 | 79% | 0.786 | S | S | * | * | | | trans | -82.7 | 126.5 | 169.5 | -77.8 | -175 | 173.3 | 0 | 0 | 109.4 | K61 | K61-M63 PolarHBondContact O-N 2.75Š|
| 64 | A | 49.4 | Very low | 50.8 | Low | 92 Ų | 92 | 139.6 Ų | 139.6 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | | | trans | -58 | 134.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | T66 | A64-T66 PolarHBondContact O-N 3.45Š|
| 65 | A | 51.7 | Low | 50.2 | Low | 102 Ų | 102 | 148.3 Ų | 148.3 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | trans | -68.2 | 90.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 66 | T | 53.1 | Low | 49.5 | Very low | 98 Ų | 98 | 148.5 Ų | 148.5 | 60% | 0.601 | 79% | 0.786 | S | S | * | * | | | trans | -65.9 | 130.1 | 166 | 27.4 | 0 | 0 | 0 | 0 | 109.2 | A64 N68 D69 | A64-T66 PolarHBondContact O-N 3.45Å; T66-N68 PolarHBondContact O-N 2.97Å; T66-D69 PolarHBondContact O-N 2.84Å |
| 67 | K | 56.4 | Low | 48.9 | Very low | 221 Ų | 221 | 146 Ų | 146 | 96% | 0.961 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | 13.4 | -174.7 | -76.1 | -178 | 174.6 | 179.5 | 0 | 116.1 | | |
| 68 | N | 48.9 | Very low | 48.4 | Very low | 140 Ų | 140 | 149.1 Ų | 149.1 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.8 | 21.9 | -176.1 | -132.6 | -30.6 | 0 | 0 | 0 | 113.1 | T66 T70 | T66-N68 PolarHBondContact O-N 2.97Å; N68-T70 VanDerWaalsContact C-N 3.33Å; N68-T70 PolarHBondContact O-N 3.42Å |
| 69 | D | 47.3 | Very low | 48.1 | Very low | 110 Ų | 110 | 146 Ų | 146 | 59% | 0.588 | 77% | 0.77 | S | S | * | * | | | trans | -80.9 | 80 | 177.2 | -134.5 | -84.1 | 0 | 0 | 0 | 110.6 | T66 R71 | T66-D69 PolarHBondContact O-N 2.84Å; D69-R71 PolarHBondContact O-N 3.11Å; D69-R71 WeakPolarHBondContact OD1-CB 3.42Å |
| 70 | T | 51.3 | Low | 48 | Very low | 128 Ų | 128 | 148.3 Ų | 148.3 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | trans | -72.9 | 7.3 | 171.5 | 26.3 | 0 | 0 | 0 | 0 | 112.9 | N68 C72 | N68-T70 VanDerWaalsContact C-N 3.33Å; N68-T70 PolarHBondContact O-N 3.42Å; T70-C72 PolarHBondContact O-N 2.91Å |
| 71 | R | 42 | Very low | 48 | Very low | 212 Ų | 212 | 153 Ų | 153 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -76.8 | 73.9 | 161.1 | -81.2 | -174.3 | 170.6 | -167.8 | -0.3 | 109.2 | D69 Q73 | D69-R71 PolarHBondContact O-N 3.11Å; D69-R71 WeakPolarHBondContact OD1-CB 3.42Å; R71-Q73 PolarHBondContact O-N 2.91Å; R71-Q73 VanDerWaalsContact O-N 3.11Å |
| 72 | C | 42.9 | Very low | 47.3 | Very low | 93 Ų | 93 | 149.4 Ų | 149.4 | 63% | 0.628 | 77% | 0.767 | S | S | * | * | | | trans | 21.7 | 90.9 | 130.7 | -99.8 | 0 | 0 | 0 | 0 | 112.8 | T70 V74 | T70-C72 PolarHBondContact O-N 2.91Å; C72-V74 HydrophobicContact CB-CG2 3.67Å; C72-V74 PolarHBondContact O-N 3.34Å |
| 73 | Q | 44 | Very low | 47.3 | Very low | 160 Ų | 160 | 147.7 Ų | 147.7 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | | | trans | -60.5 | 43.1 | 166.8 | -66.4 | -176.1 | 15 | 0 | 0 | 112.3 | R71 R75 L76 | R71-Q73 PolarHBondContact O-N 2.91Å; R71-Q73 VanDerWaalsContact O-N 3.11Å; Q73-R75 PolarHBondContact O-N 2.94Å; Q73-R75 VanDerWaalsContact O-N 3.09Å; Q73-L76 PolarHBondContact O-N 3.34Å; Q73-L76 VanDerWaalsContact O-N 3.15Å |
| 74 | V | 45 | Very low | 47.2 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -6.4 | 175.7 | -174.7 | 0 | 0 | 0 | 0 | 110.3 | C72 | C72-V74 HydrophobicContact CB-CG2 3.67Å; C72-V74 PolarHBondContact O-N 3.34Å |
| 75 | R | 42.4 | Very low | 46.7 | Very low | 244 Ų | 244 | 146 Ų | 146 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -1.9 | 171.3 | -81.3 | -170.8 | 178 | -174.3 | -0.1 | 115.4 | Q73 | Q73-R75 PolarHBondContact O-N 2.94Å; Q73-R75 VanDerWaalsContact O-N 3.09Å |
| 76 | L | 45.3 | Very low | 46 | Very low | 132 Ų | 132 | 153 Ų | 153 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | | | trans | -129.1 | 11.4 | -174 | -80.6 | 164.7 | 0 | 0 | 0 | 116.9 | Q73 K78 | Q73-L76 PolarHBondContact O-N 3.34Å; Q73-L76 VanDerWaalsContact O-N 3.15Å; L76-K78 PolarHBondContact O-N 2.86Å |
| 77 | C | 42.7 | Very low | 45.6 | Very low | 110 Ų | 110 | 155.8 Ų | 155.8 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | | | trans | -75.2 | 56.8 | 157.5 | -74.6 | 0 | 0 | 0 | 0 | 110.6 | T79 | C77-T79 PolarHBondContact O-N 2.77Š|
| 78 | K | 44.4 | Very low | 45.1 | Very low | 190 Ų | 190 | 152.4 Ų | 152.4 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | | | trans | -89.5 | 58.7 | 161.9 | -150.7 | 178.2 | -169.4 | 179.1 | 0 | 106.3 | L76 R80 | L76-K78 PolarHBondContact O-N 2.86Å; K78-R80 VanDerWaalsContact O-N 3.1Å; K78-R80 PolarHBondContact O-N 2.91Å |
| 79 | T | 47.5 | Very low | 44.9 | Very low | 102 Ų | 102 | 153.1 Ų | 153.1 | 63% | 0.626 | 79% | 0.787 | S | S | * | * | | | trans | -68.7 | 111.9 | 176.6 | -24.7 | 0 | 0 | 0 | 0 | 106.3 | C77 H81 | C77-T79 PolarHBondContact O-N 2.77Å; T79-H81 VanDerWaalsContact C-N 3.31Å; T79-H81 PolarHBondContact O-N 2.95Å |
| 80 | R | 47.4 | Very low | 44.7 | Very low | 227 Ų | 227 | 155.6 Ų | 155.6 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | | | trans | -52.8 | 97.6 | 166.5 | -76.8 | 173.2 | 158.2 | 177.1 | -6.8 | 107.7 | K78 T82 | K78-R80 VanDerWaalsContact O-N 3.1Å; K78-R80 PolarHBondContact O-N 2.91Å; R80-T82 PolarHBondContact O-N 3.2Å |
| 81 | H | 48.3 | Very low | 44.3 | Very low | 169 Ų | 169 | 157.3 Ų | 157.3 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | | | trans | -72.4 | 78.6 | 155.9 | -77.1 | -101.2 | 0 | 0 | 0 | 106.4 | T79 L83 | T79-H81 VanDerWaalsContact C-N 3.31Å; T79-H81 PolarHBondContact O-N 2.95Å; H81-L83 VanDerWaalsContact C-N 3.28Å; H81-L83 PolarHBondContact O-N 2.79Å; H81-L83 VanDerWaalsContact O-N 3.11Å |
| 82 | T | 42.6 | Very low | 44.5 | Very low | 107 Ų | 107 | 153.7 Ų | 153.7 | 66% | 0.656 | 80% | 0.8 | S | S | * | * | | | trans | -69.3 | 96.4 | 157.8 | -58.5 | 0 | 0 | 0 | 0 | 105.1 | R80 L84 | R80-T82 PolarHBondContact O-N 3.2Å; T82-L84 PolarHBondContact O-N 3.36Å |
| 83 | L | 51 | Low | 44.6 | Very low | 164 Ų | 164 | 158 Ų | 158 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | | | trans | -60.7 | 91.9 | 167.6 | -84.5 | 147.4 | 0 | 0 | 0 | 107.6 | H81 G85 | H81-L83 VanDerWaalsContact C-N 3.28Å; H81-L83 PolarHBondContact O-N 2.79Å; H81-L83 VanDerWaalsContact O-N 3.11Å; L83-G85 PolarHBondContact O-N 3.08Å |
| 84 | L | 48.3 | Very low | 44.6 | Very low | 160 Ų | 160 | 157.8 Ų | 157.8 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | | | trans | -57.9 | 122.7 | 159.5 | -86.3 | 156.9 | 0 | 0 | 0 | 106.8 | T82 | T82-L84 PolarHBondContact O-N 3.36Š|
| 85 | G | 37.8 | Very low | 44.6 | Very low | 76 Ų | 76 | 161 Ų | 161 | 78% | 0.784 | 83% | 0.825 | S | S | * | * | | | trans | -58.8 | 133.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L83 | L83-G85 PolarHBondContact O-N 3.08Š|
| 86 | L | 37.7 | Very low | 44.8 | Very low | 251 Ų | 251 | 153.5 Ų | 153.5 | 100% | 1.314 | 82% | 0.816 | S | S | * | * | | | trans | -149 | 0 | 151.4 | -96.4 | 163 | 0 | 0 | 0 | 106.5 | | |