| 1 | M | 53.5 | Low | 65.5 | Low | 226 Ų | 226 | 157.5 Ų | 157.5 | 100% | 1.113 | 81% | 0.811 | S | S | * | * | | | | 0 | 133.6 | 0 | -70.4 | 174.3 | 89.3 | 0 | 0 | 108.7 | | |
| 2 | Q | 62.9 | Low | 64.9 | Low | 169 Ų | 169 | 156.4 Ų | 156.4 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | | | trans | 57.4 | 91.9 | 159.1 | -58.2 | -175.4 | 57.3 | 0 | 0 | 118.5 | V4 | Q2-V4 PolarHBondContact O-N 3.45Š|
| 3 | R | 68.1 | Low | 64.4 | Low | 246 Ų | 246 | 154.9 Ų | 154.9 | 93% | 0.928 | 80% | 0.799 | S | S | * | * | | | trans | -70.7 | 117.6 | 152.9 | -71.2 | 179 | 174.1 | 152.1 | -1.5 | 107 | P5 | R3-P5 WeakPolarHBondContact O-CD 3.17Š|
| 4 | V | 69.9 | Low | 64 | Low | 129 Ų | 129 | 153.4 Ų | 153.4 | 78% | 0.782 | 79% | 0.793 | S | S | * | * | | | trans | -66 | 115.1 | 178 | -173.4 | 0 | 0 | 0 | 0 | 108.4 | Q2 | Q2-V4 PolarHBondContact O-N 3.45Š|
| 5 | P | 69.4 | Low | 63.9 | Low | 116 Ų | 116 | 154.5 Ų | 154.5 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | | | trans | -105.9 | 93.9 | 176.6 | 33.1 | -16.6 | 0 | 0 | 0 | 107.7 | R3 | R3-P5 WeakPolarHBondContact O-CD 3.17Š|
| 6 | V | 66.5 | Low | 64 | Low | 118 Ų | 118 | 155.7 Ų | 155.7 | 72% | 0.715 | 80% | 0.797 | S | S | * | * | | | trans | -143.9 | 76.7 | 162.2 | -162.7 | 0 | 0 | 0 | 0 | 108.7 | R8 | V6-R8 PolarHBondContact O-N 2.95Å; V6-R8 VanDerWaalsContact C-N 3.27Å |
| 7 | L | 68.9 | Low | 64.2 | Low | 172 Ų | 172 | 159.2 Ų | 159.2 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | | | trans | -59.8 | 104.2 | 153 | -75 | 169.4 | 0 | 0 | 0 | 106.1 | L9 | L7-L9 PolarHBondContact O-N 3.05Å; L7-L9 VanDerWaalsContact O-N 3.11Å |
| 8 | R | 68.8 | Low | 64.1 | Low | 235 Ų | 235 | 160.7 Ų | 160.7 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | | | trans | -55.9 | 113.1 | 176 | -175.9 | 173.8 | 178.3 | 136.3 | -2.2 | 108 | V6 | V6-R8 PolarHBondContact O-N 2.95Å; V6-R8 VanDerWaalsContact C-N 3.27Å |
| 9 | L | 69.5 | Low | 64.2 | Low | 149 Ų | 149 | 160.3 Ų | 160.3 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | | | trans | -51 | 137.9 | -179.8 | -127.4 | 88.9 | 0 | 0 | 0 | 110.9 | L7 A11 | L7-L9 PolarHBondContact O-N 3.05Å; L7-L9 VanDerWaalsContact O-N 3.11Å; L9-A11 PolarHBondContact O-N 3.11Å |
| 10 | P | 57.5 | Low | 64 | Low | 84 Ų | 84 | 157.7 Ų | 157.7 | 55% | 0.545 | 79% | 0.792 | S | S | . | * | | | trans | -73.9 | 94.6 | 161.1 | 30.1 | -30.2 | 0 | 0 | 0 | 108.7 | I12 | P10-I12 PolarHBondContact O-N 3.05Š|
| 11 | A | 65.2 | Low | 64 | Low | 88 Ų | 88 | 155 Ų | 155 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 35.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L9 | L9-A11 PolarHBondContact O-N 3.11Š|
| 12 | I | 58.3 | Low | 64.3 | Low | 145 Ų | 145 | 155.2 Ų | 155.2 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | -4.5 | 176.3 | -26 | 177.4 | 0 | 0 | 0 | 110.6 | P10 | P10-I12 PolarHBondContact O-N 3.05Š|
| 13 | L | 58.9 | Low | 64.2 | Low | 137 Ų | 137 | 154.5 Ų | 154.5 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -103 | 2 | 172.4 | -61.8 | 178.5 | 0 | 0 | 0 | 112.9 | M15 | L13-M15 PolarHBondContact O-N 2.94Š|
| 14 | D | 58.8 | Low | 63.9 | Low | 134 Ų | 134 | 145.9 Ų | 145.9 | 72% | 0.717 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 44.8 | 166.7 | -160 | 26.1 | 0 | 0 | 0 | 111.3 | E16 | D14-E16 VanDerWaalsContact C-N 3.3Š|
| 15 | M | 61.3 | Low | 63.5 | Low | 170 Ų | 170 | 144.2 Ų | 144.2 | 84% | 0.837 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 6.5 | 163.6 | -102.5 | -172 | 52.6 | 0 | 0 | 110.8 | L13 | L13-M15 PolarHBondContact O-N 2.94Š|
| 16 | E | 67 | Low | 63.3 | Low | 173 Ų | 173 | 149.8 Ų | 149.8 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -92.2 | -4.4 | -171.1 | -68.4 | -129.1 | 135.1 | 0 | 0 | 114.8 | D14 | D14-E16 VanDerWaalsContact C-N 3.3Š|
| 17 | R | 67.3 | Low | 63 | Low | 216 Ų | 216 | 154.2 Ų | 154.2 | 82% | 0.815 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -139 | 49.2 | -175.5 | -63.9 | -172.1 | -172.4 | 153.9 | 4.3 | 116.4 | | |
| 18 | K | 62.1 | Low | 62.6 | Low | 186 Ų | 186 | 153.5 Ų | 153.5 | 81% | 0.809 | 75% | 0.749 | S | S | * | * | | | trans | 173.4 | 109.5 | 130.9 | -100.6 | 160.6 | -177.6 | -105.7 | 0 | 103.1 | P20 | K18-P20 VanDerWaalsContact C-N 3.33Å; K18-P20 WeakPolarHBondContact O-CD 3.12Å |
| 19 | I | 65 | Low | 62.4 | Low | 152 Ų | 152 | 147.7 Ų | 147.7 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | | | trans | -48.5 | 114.5 | 145.7 | -57.5 | 163.5 | 0 | 0 | 0 | 102.5 | S21 | I19-S21 PolarHBondContact O-N 2.91Š|
| 20 | P | 61.5 | Low | 62 | Low | 108 Ų | 108 | 144.7 Ų | 144.7 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | | | trans | -56.6 | 106.8 | 162.9 | 23.9 | -27.8 | 0 | 0 | 0 | 100.9 | K18 R22 | K18-P20 VanDerWaalsContact C-N 3.33Å; K18-P20 WeakPolarHBondContact O-CD 3.12Å; P20-R22 PolarHBondContact O-N 2.86Å |
| 21 | S | 63.7 | Low | 62.4 | Low | 102 Ų | 102 | 149.1 Ų | 149.1 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | | | trans | -45.3 | 110.2 | 176.3 | 172.8 | 0 | 0 | 0 | 0 | 101.4 | I19 E23 | I19-S21 PolarHBondContact O-N 2.91Å; S21-E23 PolarHBondContact O-N 3.17Å |
| 22 | R | 60.4 | Low | 62 | Low | 231 Ų | 231 | 151.1 Ų | 151.1 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | | | trans | -73.4 | 78.8 | 178 | -153.9 | -176.5 | -174.5 | 176.5 | 2.5 | 99.6 | P20 S24 | P20-R22 PolarHBondContact O-N 2.86Å; R22-S24 WeakPolarHBondContact O-CB 3.27Å; R22-S24 PolarHBondContact O-N 3.21Å |
| 23 | E | 60.1 | Low | 62.1 | Low | 153 Ų | 153 | 147.4 Ų | 147.4 | 72% | 0.715 | 76% | 0.756 | S | S | * | * | | | trans | -54.9 | 62.2 | 134.4 | -169.6 | 155.3 | -152.8 | 0 | 0 | 105.4 | S21 P25 | S21-E23 PolarHBondContact O-N 3.17Å; E23-P25 VanDerWaalsContact C-N 3.26Å; E23-P25 VanDerWaalsContact O-CD 3.27Å; E23-P25 WeakPolarHBondContact O-CD 3.42Å; E23-P25 VanDerWaalsContact O-N 3.09Å |
| 24 | S | 60.9 | Low | 62.2 | Low | 66 Ų | 66 | 152.7 Ų | 152.7 | 46% | 0.462 | 77% | 0.766 | S | S | . | * | | | | -24.2 | 109.4 | 116.6 | 168.1 | 0 | 0 | 0 | 0 | 104.4 | R22 R26 | R22-S24 WeakPolarHBondContact O-CB 3.27Å; R22-S24 PolarHBondContact O-N 3.21Å; S24-R26 PolarHBondContact O-N 2.67Å |
| 25 | P | 62.9 | Low | 62.1 | Low | 94 Ų | 94 | 149.5 Ų | 149.5 | 61% | 0.61 | 77% | 0.765 | S | S | * | * | | | trans | -38.3 | 120.8 | 161.3 | -28.2 | 35.5 | 0 | 0 | 0 | 105.4 | E23 R27 | E23-P25 VanDerWaalsContact C-N 3.26Å; E23-P25 VanDerWaalsContact O-CD 3.27Å; E23-P25 WeakPolarHBondContact O-CD 3.42Å; E23-P25 VanDerWaalsContact O-N 3.09Å; P25-R27 CarbonylContact O-C 3.47Å; P25-R27 PolarHBondContact O-N 3.16Å |
| 26 | R | 63.8 | Low | 61.6 | Low | 232 Ų | 232 | 146.6 Ų | 146.6 | 88% | 0.875 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -69.1 | 63.5 | -170.6 | -148 | -174.9 | -161.8 | 114.7 | -4.4 | 108.2 | S24 | S24-R26 PolarHBondContact O-N 2.67Š|
| 27 | R | 61.5 | Low | 61.4 | Low | 211 Ų | 211 | 146 Ų | 146 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | | | trans | -157.8 | 75 | -172.3 | -55.1 | -173 | 82 | -175.7 | 4 | 100.7 | P25 S29 | P25-R27 CarbonylContact O-C 3.47Å; P25-R27 PolarHBondContact O-N 3.16Å; R27-S29 PolarHBondContact O-N 2.63Å |
| 28 | L | 60.8 | Low | 61 | Low | 157 Ų | 157 | 143.6 Ų | 143.6 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | | | | 25 | 92.5 | 96.2 | -64.3 | 177.6 | 0 | 0 | 0 | 107 | A30 | L28-A30 PolarHBondContact O-N 2.71Š|
| 29 | S | 64.1 | Low | 61.1 | Low | 114 Ų | 114 | 142.6 Ų | 142.6 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | | | trans | -54.6 | 84.3 | 157.4 | 45.4 | 0 | 0 | 0 | 0 | 105.6 | R27 K31 | R27-S29 PolarHBondContact O-N 2.63Å; S29-K31 PolarHBondContact O-N 3.04Å |
| 30 | A | 61.4 | Low | 61 | Low | 86 Ų | 86 | 145 Ų | 145 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | | | trans | -60.4 | 92.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 102.3 | L28 P32 | L28-A30 PolarHBondContact O-N 2.71Å; A30-P32 WeakPolarHBondContact O-CD 3.46Å |
| 31 | K | 65.5 | Low | 60.9 | Low | 177 Ų | 177 | 147.3 Ų | 147.3 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | | | trans | -46 | 126.9 | 149.4 | -66.6 | -174.4 | 178.5 | 179.6 | 0 | 104.1 | S29 G33 | S29-K31 PolarHBondContact O-N 3.04Å; K31-G33 VanDerWaalsContact O-N 3.09Å; K31-G33 WeakPolarHBondContact O-CA 3.49Å; K31-G33 PolarHBondContact O-N 2.7Å |
| 32 | P | 55.9 | Low | 61 | Low | 129 Ų | 129 | 147.6 Ų | 147.6 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -43.7 | 126.1 | 169.4 | -26.5 | 33.6 | 0 | 0 | 0 | 108.2 | A30 | A30-P32 WeakPolarHBondContact O-CD 3.46Š|
| 33 | G | 61.1 | Low | 61.1 | Low | 68 Ų | 68 | 146.8 Ų | 146.8 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | -53.1 | 136.9 | -147.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | K31 G35 | K31-G33 VanDerWaalsContact O-N 3.09Å; K31-G33 WeakPolarHBondContact O-CA 3.49Å; K31-G33 PolarHBondContact O-N 2.7Å; G33-G35 PolarHBondContact O-N 2.88Å; G33-G35 VanDerWaalsContact O-N 3.09Å |
| 34 | R | 60.4 | Low | 61.1 | Low | 247 Ų | 247 | 145.9 Ų | 145.9 | 93% | 0.932 | 77% | 0.773 | S | S | * | * | | | trans | -79.1 | 56.5 | 146.1 | -78.7 | -94 | -176.4 | 148.4 | -0.4 | 108.4 | T36 | R34-T36 VanDerWaalsContact C-N 3.3Š|
| 35 | G | 57.7 | Low | 61.1 | Low | 68 Ų | 68 | 150.3 Ų | 150.3 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | trans | -99.2 | 58.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | G33 E37 | G33-G35 PolarHBondContact O-N 2.88Å; G33-G35 VanDerWaalsContact O-N 3.09Å; G35-E37 PolarHBondContact O-N 3.11Å |
| 36 | T | 51.1 | Low | 60.7 | Low | 109 Ų | 109 | 149.2 Ų | 149.2 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | | | trans | -75.2 | 75.7 | 162 | -38 | 0 | 0 | 0 | 0 | 106.2 | R34 M38 | R34-T36 VanDerWaalsContact C-N 3.3Å; T36-M38 HydrophobicContact CG2-CG 3.58Å; T36-M38 PolarHBondContact O-N 3.23Å |
| 37 | E | 61.6 | Low | 60.2 | Low | 159 Ų | 159 | 144 Ų | 144 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | | | trans | -64.1 | 100.5 | 145.1 | -168.2 | -175.4 | 169.1 | 0 | 0 | 104.2 | G35 K39 | G35-E37 PolarHBondContact O-N 3.11Å; E37-K39 PolarHBondContact O-N 3.21Å |
| 38 | M | 59.4 | Low | 60.2 | Low | 166 Ų | 166 | 140.2 Ų | 140.2 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -64.6 | 84.4 | 171.1 | -70.2 | 175.7 | 83.5 | 0 | 0 | 107.5 | T36 | T36-M38 HydrophobicContact CG2-CG 3.58Å; T36-M38 PolarHBondContact O-N 3.23Å |
| 39 | K | 64 | Low | 60.1 | Low | 165 Ų | 165 | 137 Ų | 137 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | | | trans | -121.1 | 103.5 | 150.4 | -107.4 | 172.8 | 179.6 | 170.2 | 0 | 107.6 | E37 L41 | E37-K39 PolarHBondContact O-N 3.21Å; K39-L41 PolarHBondContact O-N 2.62Å |
| 40 | K | 63.3 | Low | 60 | Low | 204 Ų | 204 | 135.3 Ų | 135.3 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | | | trans | -47.9 | 99.3 | 167.8 | -63.1 | -174.3 | 178.7 | -166.9 | 0 | 108.9 | | |
| 41 | L | 60.1 | Low | 59.9 | Low | 156 Ų | 156 | 139.3 Ų | 139.3 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | | | trans | -136.3 | 105.3 | 158.9 | -73.2 | 176.5 | 0 | 0 | 0 | 106.2 | K39 R43 | K39-L41 PolarHBondContact O-N 2.62Å; L41-R43 PolarHBondContact O-N 2.73Å |
| 42 | A | 65.8 | Low | 59.6 | Low | 108 Ų | 108 | 135.5 Ų | 135.5 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | | | trans | -52.2 | 109.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 43 | R | 61.8 | Low | 60.3 | Low | 213 Ų | 213 | 136 Ų | 136 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -124.8 | 119.3 | 159.8 | -93.2 | -175.9 | 170.9 | -105.7 | 0.5 | 106.8 | L41 L45 | L41-R43 PolarHBondContact O-N 2.73Å; R43-L45 VanDerWaalsContact C-N 3.3Å; R43-L45 HydrophobicContact CB-CD1 4.36Å; R43-L45 PolarHBondContact O-N 3.01Å |
| 44 | P | 60.4 | Low | 60.8 | Low | 135 Ų | 135 | 141.9 Ų | 141.9 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | | | trans | -64.1 | 100.1 | 166.4 | 25.9 | -28.9 | 0 | 0 | 0 | 107.1 | G46 | P44-G46 PolarHBondContact O-N 3.09Å; P44-G46 VanDerWaalsContact C-N 3.31Å |
| 45 | L | 59.8 | Low | 61.1 | Low | 158 Ų | 158 | 137.2 Ų | 137.2 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | | | trans | -73 | 89.8 | 172.2 | -114.9 | 85.4 | 0 | 0 | 0 | 107.5 | R43 | R43-L45 VanDerWaalsContact C-N 3.3Å; R43-L45 HydrophobicContact CB-CD1 4.36Å; R43-L45 PolarHBondContact O-N 3.01Å |
| 46 | G | 56.3 | Low | 61.6 | Low | 71 Ų | 71 | 139.7 Ų | 139.7 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | | | trans | -127.3 | 63 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | P44 V48 | P44-G46 PolarHBondContact O-N 3.09Å; P44-G46 VanDerWaalsContact C-N 3.31Å; G46-V48 PolarHBondContact O-N 2.62Å; G46-V48 VanDerWaalsContact O-N 3.09Å |
| 47 | V | 51.9 | Low | 62.6 | Low | 123 Ų | 123 | 137.4 Ų | 137.4 | 75% | 0.745 | 79% | 0.785 | S | S | * | * | | | trans | -50.5 | 116.4 | 167.1 | 168.6 | 0 | 0 | 0 | 0 | 107.4 | A49 | V47-A49 PolarHBondContact O-N 3.09Š|
| 48 | V | 62 | Low | 62.7 | Low | 131 Ų | 131 | 139.3 Ų | 139.3 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | | | trans | 25.8 | 75.4 | 146 | -175.6 | 0 | 0 | 0 | 0 | 112 | G46 A50 | G46-V48 PolarHBondContact O-N 2.62Å; G46-V48 VanDerWaalsContact O-N 3.09Å; V48-A50 PolarHBondContact O-N 2.75Å |
| 49 | A | 59.1 | Low | 63.2 | Low | 89 Ų | 89 | 137 Ų | 137 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | | | trans | -61.8 | 119.5 | 154.8 | 0 | 0 | 0 | 0 | 0 | 104.5 | V47 D51 | V47-A49 PolarHBondContact O-N 3.09Å; A49-D51 PolarHBondContact O-N 3.04Å; A49-D51 VanDerWaalsContact O-N 3.11Å |
| 50 | A | 62.4 | Low | 62.6 | Low | 80 Ų | 80 | 135.5 Ų | 135.5 | 66% | 0.661 | 82% | 0.823 | S | S | * | * | | | trans | -41.8 | 123.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | V48 S52 | V48-A50 PolarHBondContact O-N 2.75Å; A50-S52 PolarHBondContact O-N 2.88Å |
| 51 | D | 58.4 | Low | 62.6 | Low | 170 Ų | 170 | 132.1 Ų | 132.1 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | | | trans | -59.4 | 82.4 | 161.2 | -82.3 | -47.1 | 0 | 0 | 0 | 106.5 | A49 D53 | A49-D51 PolarHBondContact O-N 3.04Å; A49-D51 VanDerWaalsContact O-N 3.11Å; D51-D53 VanDerWaalsContact C-N 3.27Å; D51-D53 PolarHBondContact O-N 3.09Å; D51-D53 VanDerWaalsContact O-N 3.16Å |
| 52 | S | 59.6 | Low | 62.7 | Low | 96 Ų | 96 | 130.8 Ų | 130.8 | 67% | 0.671 | 82% | 0.82 | S | S | * | * | | | trans | -77.8 | 92.4 | 163.8 | -99.7 | 0 | 0 | 0 | 0 | 105.3 | A50 K54 | A50-S52 PolarHBondContact O-N 2.88Å; S52-K54 PolarHBondContact O-N 2.95Å |
| 53 | D | 71.3 | Confident | 62.5 | Low | 139 Ų | 139 | 132.1 Ų | 132.1 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | | | trans | -46 | 109 | 166 | -170.5 | -4.3 | 0 | 0 | 0 | 109.2 | D51 D55 | D51-D53 VanDerWaalsContact C-N 3.27Å; D51-D53 PolarHBondContact O-N 3.09Å; D51-D53 VanDerWaalsContact O-N 3.16Å; D53-D55 PolarHBondContact OD1-N 3.02Å |
| 54 | K | 69.6 | Low | 62.6 | Low | 192 Ų | 192 | 127.4 Ų | 127.4 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | | | trans | -110.9 | 25.6 | 178.3 | -85 | -150.1 | 180 | -176.6 | 0 | 112 | S52 | S52-K54 PolarHBondContact O-N 2.95Š|
| 55 | D | 67.6 | Low | 62.7 | Low | 150 Ų | 150 | 126.9 Ų | 126.9 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | | | trans | -102.3 | 35.5 | 175.6 | -69.2 | -26.4 | 0 | 0 | 0 | 113.1 | D53 G57 | D53-D55 PolarHBondContact OD1-N 3.02Å; D55-G57 PolarHBondContact O-N 2.89Å |
| 56 | S | 67.8 | Low | 62.9 | Low | 119 Ų | 119 | 124.8 Ų | 124.8 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | | | trans | -76.8 | 72.3 | 163 | 175.2 | 0 | 0 | 0 | 0 | 110 | F58 | S56-F58 PolarHBondContact O-N 2.78Š|
| 57 | G | 73.5 | Confident | 63.4 | Low | 62 Ų | 62 | 128.6 Ų | 128.6 | 64% | 0.639 | 82% | 0.817 | S | S | * | * | | | trans | -63.6 | 109.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | D55 S59 | D55-G57 PolarHBondContact O-N 2.89Å; G57-S59 PolarHBondContact O-N 3Å |
| 58 | F | 62.7 | Low | 64.2 | Low | 198 Ų | 198 | 129.1 Ų | 129.1 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | | | trans | -66.1 | 102.4 | 163.9 | -175.3 | -94.5 | 0 | 0 | 0 | 107.7 | S56 | S56-F58 PolarHBondContact O-N 2.78Š|
| 59 | S | 68.9 | Low | 64.4 | Low | 118 Ų | 118 | 128.9 Ų | 128.9 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | | | trans | -84.1 | 109.4 | 167.6 | -61.7 | 0 | 0 | 0 | 0 | 107.8 | G57 | G57-S59 PolarHBondContact O-N 3Š|
| 60 | G | 52.2 | Low | 64.9 | Low | 134 Ų | 134 | 132.5 Ų | 132.5 | 100% | 1.381 | 83% | 0.833 | S | S | * | * | | | trans | -91.1 | 0 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |