| 1 | M | 40.6 | Very low | 50.1 | Low | 230 Ų | 230 | 159.3 Ų | 159.3 | 100% | 1.133 | 86% | 0.862 | S | S | * | * | | | | 0 | 122 | 0 | -59.3 | -62.9 | -173.4 | 0 | 0 | 107.8 | | |
| 2 | D | 42.3 | Very low | 50 | Low | 145 Ų | 145 | 152.1 Ų | 152.1 | 78% | 0.775 | 85% | 0.853 | S | S | * | * | | | trans | 58.2 | 88.8 | 166.5 | -70.4 | -84 | 0 | 0 | 0 | 122.1 | | |
| 3 | K | 51.3 | Low | 49.3 | Very low | 214 Ų | 214 | 157 Ų | 157 | 93% | 0.93 | 86% | 0.86 | S | S | * | * | | | trans | -135.5 | 31.1 | 153.6 | -66 | -170.3 | -178.5 | 176.4 | 0 | 113.3 | K5 | K3-K5 PolarHBondContact O-N 3.17Š|
| 4 | N | 53.1 | Low | 49.2 | Very low | 165 Ų | 165 | 159.2 Ų | 159.2 | 88% | 0.882 | 86% | 0.857 | S | S | * | * | | | trans | -94 | 84.8 | 172.4 | -98.2 | -24.1 | 0 | 0 | 0 | 110.3 | | |
| 5 | K | 49.5 | Very low | 48.9 | Very low | 196 Ų | 196 | 163.7 Ų | 163.7 | 85% | 0.852 | 86% | 0.857 | S | S | * | * | | | trans | -135 | 107.4 | 164.2 | -162.9 | 174.7 | -169.6 | -179.1 | 0 | 109.4 | K3 A7 | K3-K5 PolarHBondContact O-N 3.17Å; K5-A7 PolarHBondContact O-N 3.07Å |
| 6 | P | 51.8 | Low | 48.7 | Very low | 126 Ų | 126 | 165.1 Ų | 165.1 | 82% | 0.818 | 86% | 0.858 | S | S | * | * | | | trans | -69.3 | 127.3 | 173.3 | 26.3 | -29.9 | 0 | 0 | 0 | 109.7 | A8 | P6-A8 PolarHBondContact O-N 2.8Š|
| 7 | A | 54.4 | Low | 48.6 | Very low | 102 Ų | 102 | 160.3 Ų | 160.3 | 84% | 0.843 | 86% | 0.857 | S | S | * | * | | | trans | -74.6 | 115.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | K5 | K5-A7 PolarHBondContact O-N 3.07Š|
| 8 | A | 54.3 | Low | 48.4 | Very low | 94 Ų | 94 | 155.3 Ų | 155.3 | 78% | 0.777 | 83% | 0.834 | S | S | * | * | | | trans | 30 | 109.2 | 154.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | P6 | P6-A8 PolarHBondContact O-N 2.8Š|
| 9 | T | 54.4 | Low | 48.4 | Very low | 132 Ų | 132 | 153.7 Ų | 153.7 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | | | trans | -84.3 | 105.6 | 165.9 | -14.8 | 0 | 0 | 0 | 0 | 109.9 | K11 | T9-K11 PolarHBondContact O-N 2.88Š|
| 10 | L | 52.3 | Low | 48.4 | Very low | 171 Ų | 171 | 150.6 Ų | 150.6 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | | | trans | -80.7 | 92.5 | 173.3 | -145.7 | 91.5 | 0 | 0 | 0 | 109.3 | G12 | L10-G12 PolarHBondContact O-N 3.09Š|
| 11 | K | 47 | Very low | 48.7 | Very low | 177 Ų | 177 | 147.4 Ų | 147.4 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | | | trans | -76.2 | 97.5 | 174.5 | -84.5 | -172 | 177.9 | -171.1 | 0 | 110.5 | T9 | T9-K11 PolarHBondContact O-N 2.88Š|
| 12 | G | 49.1 | Very low | 49.3 | Very low | 73 Ų | 73 | 147.1 Ų | 147.1 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | trans | -91.8 | 104.8 | 167 | 0 | 0 | 0 | 0 | 0 | 111.4 | L10 K14 | L10-G12 PolarHBondContact O-N 3.09Å; G12-K14 PolarHBondContact O-N 3.11Å |
| 13 | K | 40.4 | Very low | 50.1 | Low | 216 Ų | 216 | 146.6 Ų | 146.6 | 94% | 0.939 | 77% | 0.768 | S | S | * | * | | | trans | -64.4 | 115.5 | 167.9 | -94.3 | 173.5 | 169.1 | 175.5 | 0 | 109.6 | | |
| 14 | K | 48.9 | Very low | 50.1 | Low | 188 Ų | 188 | 142.3 Ų | 142.3 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | | | trans | -145.1 | 105.2 | 163.8 | -126.9 | 178.6 | -174.8 | 179.2 | 0 | 111.6 | G12 | G12-K14 PolarHBondContact O-N 3.11Š|
| 15 | R | 44 | Very low | 50.2 | Low | 226 Ų | 226 | 138 Ų | 138 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 50.1 | 117.1 | 151.1 | -66.2 | -179.7 | 168.6 | 174.1 | -4.4 | 118.1 | | |
| 16 | Q | 45.4 | Very low | 50.3 | Low | 187 Ų | 187 | 132.1 Ų | 132.1 | 87% | 0.874 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 69.3 | 84.5 | 167.9 | -58.3 | -177.2 | 61.1 | 0 | 0 | 115.3 | V18 | Q16-V18 VanDerWaalsContact C-N 3.27Å; Q16-V18 PolarHBondContact O-N 2.81Å |
| 17 | G | 47.4 | Very low | 50.1 | Low | 83 Ų | 83 | 135.8 Ų | 135.8 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 65.8 | -5.8 | 144.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 18 | V | 44.1 | Very low | 49.7 | Very low | 71 Ų | 71 | 135.4 Ų | 135.4 | 43% | 0.43 | 72% | 0.724 | S | S | . | * | | | trans | -116.7 | 107.9 | -177.2 | -176.3 | 0 | 0 | 0 | 0 | 110 | Q16 S20 | Q16-V18 VanDerWaalsContact C-N 3.27Å; Q16-V18 PolarHBondContact O-N 2.81Å; V18-S20 PolarHBondContact O-N 3.19Å; V18-S20 VanDerWaalsContact O-N 3.11Å |
| 19 | E | 48.4 | Very low | 49.6 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 58% | 0.584 | 73% | 0.732 | S | S | * | * | | | trans | -76.4 | 89.7 | 172.3 | -166.2 | 179.2 | 118.3 | 0 | 0 | 108.8 | Q21 | E19-Q21 HydrophobicContact CG-CG 4.39Å; E19-Q21 PolarHBondContact O-N 2.88Å; E19-Q21 VanDerWaalsContact O-N 3.09Å; E19-Q21 PolarHBondContact OE1-NE2 3.33Å |
| 20 | S | 49.9 | Very low | 49.4 | Very low | 90 Ų | 90 | 137.4 Ų | 137.4 | 63% | 0.629 | 72% | 0.721 | S | S | * | * | | | trans | -74.4 | 99.3 | 173.2 | -63 | 0 | 0 | 0 | 0 | 110.6 | V18 R22 | V18-S20 PolarHBondContact O-N 3.19Å; V18-S20 VanDerWaalsContact O-N 3.11Å; S20-R22 PolarHBondContact O-N 3.2Å |
| 21 | Q | 53.8 | Low | 49.4 | Very low | 84 Ų | 84 | 137.2 Ų | 137.2 | 39% | 0.393 | 72% | 0.721 | S | S | . | * | | | trans | -78.9 | 107 | 171.1 | -65.7 | -166.4 | -9.2 | 0 | 0 | 110.6 | E19 K23 | E19-Q21 HydrophobicContact CG-CG 4.39Å; E19-Q21 PolarHBondContact O-N 2.88Å; E19-Q21 VanDerWaalsContact O-N 3.09Å; E19-Q21 PolarHBondContact OE1-NE2 3.33Å; Q21-K23 PolarHBondContact O-N 3.35Å |
| 22 | R | 53.1 | Low | 49.5 | Very low | 225 Ų | 225 | 135.3 Ų | 135.3 | 85% | 0.849 | 72% | 0.715 | S | S | * | * | | | trans | -70 | 98.3 | 165.3 | -83.9 | 179.8 | 163.5 | 177.9 | -4.4 | 109.2 | S20 | S20-R22 PolarHBondContact O-N 3.2Š|
| 23 | K | 58.5 | Low | 49.7 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 58% | 0.578 | 72% | 0.716 | S | S | * | * | | | trans | -96 | 118.6 | 169.6 | -67.6 | -176 | -176.9 | 170 | 0 | 109.6 | Q21 C25 | Q21-K23 PolarHBondContact O-N 3.35Å; K23-C25 PolarHBondContact O-N 3.35Å |
| 24 | T | 53 | Low | 50.5 | Low | 124 Ų | 124 | 132.8 Ų | 132.8 | 76% | 0.761 | 70% | 0.698 | S | S | * | * | | | trans | -73.9 | 105.8 | 166 | -8.5 | 0 | 0 | 0 | 0 | 107.4 | G26 | T24-G26 PolarHBondContact O-N 3.05Š|
| 25 | C | 55.1 | Low | 50.8 | Low | 74 Ų | 74 | 128.2 Ų | 128.2 | 50% | 0.5 | 69% | 0.687 | S | S | . | * | | | trans | -63 | 125.8 | 173.2 | -66.3 | 0 | 0 | 0 | 0 | 109.3 | K23 C36 | K23-C25 PolarHBondContact O-N 3.35Å; C25-C36 HydrophobicContact CB-CB 4.41Å |
| 26 | G | 49.9 | Very low | 51.4 | Low | 73 Ų | 73 | 120.1 Ų | 120.1 | 75% | 0.753 | 67% | 0.665 | S | S | * | * | | | trans | -63.2 | 137.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T24 | T24-G26 PolarHBondContact O-N 3.05Š|
| 27 | K | 48.4 | Very low | 52 | Low | 204 Ų | 204 | 116.7 Ų | 116.7 | 89% | 0.887 | 65% | 0.647 | S | S | * | * | | | trans | 46.3 | 87.2 | 150.3 | -60.2 | -178 | -178.1 | 177.8 | 0 | 117.1 | I29 | K27-I29 PolarHBondContact O-N 3.42Š|
| 28 | N | 47.1 | Very low | 52.5 | Low | 94 Ų | 94 | 116.2 Ų | 116.2 | 50% | 0.503 | 63% | 0.627 | S | S | . | * | | | trans | -64.5 | 126.6 | 151.1 | -98.1 | -7.3 | 0 | 0 | 0 | 109.7 | S30 H32 I34 | N28-S30 PolarHBondContact O-N 3.48Å; N28-H32 WeakPolarHBondContact CB-O 3.44Å; N28-H32 PolarHBondContact ND2-O 3.32Å; N28-I34 WeakPolarHBondContact ND2-CD1 3.14Å |
| 29 | I | 50.2 | Low | 53 | Low | 182 Ų | 182 | 118.1 Ų | 118.1 | 93% | 0.933 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -65.3 | 6 | 172.7 | -82.4 | 166.6 | 0 | 0 | 0 | 113.2 | K27 | K27-I29 PolarHBondContact O-N 3.42Š|
| 30 | S | 50.3 | Low | 53.2 | Low | 85 Ų | 85 | 117.5 Ų | 117.5 | 59% | 0.594 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -142.7 | 101.6 | 175.6 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | N28 H32 | N28-S30 PolarHBondContact O-N 3.48Å; S30-H32 PolarHBondContact O-N 3.38Å |
| 31 | N | 52.6 | Low | 53.5 | Low | 167 Ų | 167 | 116.2 Ų | 116.2 | 89% | 0.893 | 62% | 0.616 | S | S | * | * | S | Bend | trans | 18.4 | 20.3 | 160 | -111.9 | 4.4 | 0 | 0 | 0 | 122.7 | | |
| 32 | H | 49.8 | Very low | 53.7 | Low | 138 Ų | 138 | 119.2 Ų | 119.2 | 64% | 0.639 | 63% | 0.634 | S | S | * | * | | | trans | -138.6 | 102.7 | -177.6 | -74.6 | -67 | 0 | 0 | 0 | 108.5 | N28 S30 I34 | N28-H32 WeakPolarHBondContact CB-O 3.44Å; N28-H32 PolarHBondContact ND2-O 3.32Å; S30-H32 PolarHBondContact O-N 3.38Å; H32-I34 PolarHBondContact O-N 3.26Å; H32-I34 VanDerWaalsContact O-N 3.14Å |
| 33 | V | 52.7 | Low | 53.7 | Low | 127 Ų | 127 | 115.1 Ų | 115.1 | 77% | 0.77 | 63% | 0.629 | S | S | * | * | | | trans | -68.5 | 104.6 | 167.3 | -179.9 | 0 | 0 | 0 | 0 | 107.2 | | |
| 34 | I | 57.5 | Low | 53.4 | Low | 109 Ų | 109 | 112 Ų | 112 | 56% | 0.559 | 64% | 0.635 | S | S | * | * | | | trans | -85.7 | 121.5 | 172.2 | -58.7 | 174.4 | 0 | 0 | 0 | 107.1 | N28 H32 C36 | N28-I34 WeakPolarHBondContact ND2-CD1 3.14Å; H32-I34 PolarHBondContact O-N 3.26Å; H32-I34 VanDerWaalsContact O-N 3.14Å; I34-C36 PolarHBondContact O-N 2.74Å; I34-C36 VanDerWaalsContact O-N 3.14Å |
| 35 | P | 55 | Low | 53.2 | Low | 91 Ų | 91 | 110.5 Ų | 110.5 | 59% | 0.591 | 62% | 0.622 | S | S | * | * | | | trans | -68.4 | 111 | 171.5 | 26.8 | -30.9 | 0 | 0 | 0 | 109.1 | F37 | P35-F37 HydrophobicContact CB-CE2 4.29Š|
| 36 | C | 57.8 | Low | 52.9 | Low | 57 Ų | 57 | 111.6 Ų | 111.6 | 39% | 0.385 | 63% | 0.631 | S | S | . | * | | | trans | -85 | 117.9 | 164.4 | -76.5 | 0 | 0 | 0 | 0 | 108.4 | C25 I34 | C25-C36 HydrophobicContact CB-CB 4.41Å; I34-C36 PolarHBondContact O-N 2.74Å; I34-C36 VanDerWaalsContact O-N 3.14Å |
| 37 | F | 57.7 | Low | 53.1 | Low | 115 Ų | 115 | 116 Ų | 116 | 50% | 0.504 | 63% | 0.626 | S | S | . | * | | | trans | -85.9 | 113.3 | 165.3 | -66.8 | -87 | 0 | 0 | 0 | 107.7 | P35 F39 | P35-F37 HydrophobicContact CB-CE2 4.29Å; F37-F39 HydrophobicContact CG-CZ 4.46Å; F37-F39 HydrophobicContact CB-CE2 3.56Å; F37-F39 HydrophobicContact CG-CE2 4.3Å; F37-F39 HydrophobicContact CB-CZ 4.11Å; F37-F39 HydrophobicContact CB-CD2 4.15Å; F37-F39 HydrophobicContact CD1-CZ 4.3Å |
| 38 | V | 57 | Low | 53.4 | Low | 72 Ų | 72 | 110.9 Ų | 110.9 | 44% | 0.436 | 61% | 0.608 | S | S | . | * | | | trans | -98.8 | 112.5 | 167.1 | -178.4 | 0 | 0 | 0 | 0 | 106.1 | | |
| 39 | F | 55.4 | Low | 53.8 | Low | 111 Ų | 111 | 111.9 Ų | 111.9 | 49% | 0.487 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.8 | 109.6 | 169.3 | -64.9 | -82 | 0 | 0 | 0 | 107.7 | F37 T41 E49 | F37-F39 HydrophobicContact CG-CZ 4.46Å; F37-F39 HydrophobicContact CB-CE2 3.56Å; F37-F39 HydrophobicContact CG-CE2 4.3Å; F37-F39 HydrophobicContact CB-CZ 4.11Å; F37-F39 HydrophobicContact CB-CD2 4.15Å; F37-F39 HydrophobicContact CD1-CZ 4.3Å; F39-T41 PolarHBondContact O-N 3.16Å; F39-E49 WeakPolarHBondContact CE2-OE2 3.39Å |
| 40 | E | 53.6 | Low | 54.1 | Low | 113 Ų | 113 | 113 Ų | 113 | 53% | 0.528 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.4 | 111.2 | 166.5 | -80.5 | 177.2 | 113.5 | 0 | 0 | 108.1 | | |
| 41 | T | 55.5 | Low | 54.3 | Low | 63 Ų | 63 | 120.4 Ų | 120.4 | 39% | 0.387 | 62% | 0.617 | S | S | . | * | | | trans | -80.6 | 146.6 | 168.6 | 61.6 | 0 | 0 | 0 | 0 | 108.9 | F39 N43 G44 N45 | F39-T41 PolarHBondContact O-N 3.16Å; T41-N43 PolarHBondContact O-N 2.89Å; T41-G44 PolarHBondContact O-N 3.16Å; T41-G44 VanDerWaalsContact O-N 3.07Å; T41-N45 PolarHBondContact OG1-O 2.88Å |
| 42 | N | 56.8 | Low | 54.2 | Low | 146 Ų | 146 | 119.5 Ų | 119.5 | 78% | 0.781 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | 2.6 | 174.8 | -95.4 | 2.8 | 0 | 0 | 0 | 114.4 | | |
| 43 | N | 53.8 | Low | 54.2 | Low | 140 Ų | 140 | 124.3 Ų | 124.3 | 75% | 0.749 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | 7.1 | 179 | -120.2 | 59 | 0 | 0 | 0 | 113.4 | T41 N45 | T41-N43 PolarHBondContact O-N 2.89Å; N43-N45 VanDerWaalsContact O-N 3.17Å; N43-N45 PolarHBondContact O-N 3.1Å |
| 44 | G | 52.7 | Low | 53.9 | Low | 68 Ų | 68 | 129.9 Ų | 129.9 | 70% | 0.701 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 72.1 | 3.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | T41 | T41-G44 PolarHBondContact O-N 3.16Å; T41-G44 VanDerWaalsContact O-N 3.07Å |
| 45 | N | 48.5 | Very low | 53.2 | Low | 92 Ų | 92 | 134.6 Ų | 134.6 | 49% | 0.492 | 65% | 0.648 | S | S | . | * | | | trans | -90.4 | 114.3 | 178.3 | -84.1 | -10.4 | 0 | 0 | 0 | 110.6 | T41 N43 Y47 | T41-N45 PolarHBondContact OG1-O 2.88Å; N43-N45 VanDerWaalsContact O-N 3.17Å; N43-N45 PolarHBondContact O-N 3.1Å; N45-Y47 HydrophobicContact CB-CD2 4.38Å; N45-Y47 HydrophobicContact CB-CE2 4.12Å |
| 46 | S | 49.9 | Very low | 52.7 | Low | 96 Ų | 96 | 145.6 Ų | 145.6 | 67% | 0.671 | 68% | 0.677 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.5 | 119.5 | 169.5 | -63 | 0 | 0 | 0 | 0 | 109.3 | | |
| 47 | Y | 53 | Low | 52.4 | Low | 166 Ų | 166 | 150 Ų | 150 | 65% | 0.651 | 69% | 0.692 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.6 | 125.8 | 173.1 | -88.6 | -95 | 0 | 0 | 0 | 110.4 | N45 | N45-Y47 HydrophobicContact CB-CD2 4.38Å; N45-Y47 HydrophobicContact CB-CE2 4.12Å |
| 48 | D | 54.5 | Low | 52.1 | Low | 96 Ų | 96 | 151.8 Ų | 151.8 | 51% | 0.513 | 70% | 0.702 | S | S | . | * | | | trans | -92.3 | 108.8 | 172.4 | -169.9 | -60.4 | 0 | 0 | 0 | 109 | R50 | D48-R50 WeakPolarHBondContact OD1-CB 3.15Å; D48-R50 PolarHBondContact OD2-NH2 2.6Å; D48-R50 IonicContact OD2-NH2 2.74Å; D48-R50 VanDerWaalsContact OD2-NE 3.16Å; D48-R50 PolarHBondContact OD2-NE 3.14Å; D48-R50 IonicContact OD2-NE 3.16Å; D48-R50 IonicContact OD2-CZ 3.38Å; D48-R50 IonicContact OD1-NH2 3.91Å; D48-R50 PolarHBondContact OD1-NE 2.92Å; D48-R50 IonicContact OD1-NE 2.89Å; D48-R50 VanDerWaalsContact OD1-N 3.16Å; D48-R50 PolarHBondContact OD1-N 3.02Å; D48-R50 IonicContact OD1-CZ 3.83Å; D48-R50 WeakPolarHBondContact OD1-CG 3.4Å; D48-R50 VanDerWaalsContact O-N 3.1Å; D48-R50 PolarHBondContact O-N 3.14Å |
| 49 | E | 55.2 | Low | 51.9 | Low | 115 Ų | 115 | 156.3 Ų | 156.3 | 54% | 0.537 | 72% | 0.716 | S | S | . | * | | | trans | -75.3 | 18.8 | -177.6 | -82.1 | -163.8 | 113.7 | 0 | 0 | 114.8 | F39 R51 | F39-E49 WeakPolarHBondContact CE2-OE2 3.39Å; E49-R51 PolarHBondContact O-N 3.49Å |
| 50 | R | 57.7 | Low | 51.7 | Low | 206 Ų | 206 | 158.9 Ų | 158.9 | 78% | 0.777 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 11.5 | 178.1 | -78 | -175.8 | -84.9 | -175.3 | -7.8 | 115.9 | D48 | D48-R50 WeakPolarHBondContact OD1-CB 3.15Å; D48-R50 PolarHBondContact OD2-NH2 2.6Å; D48-R50 IonicContact OD2-NH2 2.74Å; D48-R50 VanDerWaalsContact OD2-NE 3.16Å; D48-R50 PolarHBondContact OD2-NE 3.14Å; D48-R50 IonicContact OD2-NE 3.16Å; D48-R50 IonicContact OD2-CZ 3.38Å; D48-R50 IonicContact OD1-NH2 3.91Å; D48-R50 PolarHBondContact OD1-NE 2.92Å; D48-R50 IonicContact OD1-NE 2.89Å; D48-R50 VanDerWaalsContact OD1-N 3.16Å; D48-R50 PolarHBondContact OD1-N 3.02Å; D48-R50 IonicContact OD1-CZ 3.83Å; D48-R50 WeakPolarHBondContact OD1-CG 3.4Å; D48-R50 VanDerWaalsContact O-N 3.1Å; D48-R50 PolarHBondContact O-N 3.14Å |
| 51 | R | 53.1 | Low | 51.5 | Low | 240 Ų | 240 | 161.8 Ų | 161.8 | 91% | 0.906 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | 1.8 | -173.7 | -135.1 | 174.9 | 177.1 | 170.7 | -1.7 | 116.6 | E49 | E49-R51 PolarHBondContact O-N 3.49Š|
| 52 | L | 50.9 | Low | 51.3 | Low | 148 Ų | 148 | 168.4 Ų | 168.4 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | | | trans | -103.1 | 57.6 | 179.1 | -93.1 | 135.1 | 0 | 0 | 0 | 113.4 | | |
| 53 | R | 50.6 | Low | 50.9 | Low | 240 Ų | 240 | 170 Ų | 170 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | | | trans | -136.5 | 56.5 | 164.7 | -89 | -167.6 | 174 | 161.1 | -2.1 | 111.6 | | |
| 54 | R | 47 | Very low | 50.6 | Low | 243 Ų | 243 | 172.3 Ų | 172.3 | 92% | 0.917 | 77% | 0.767 | S | S | * | * | | | trans | -148.3 | 76.7 | 158.2 | -73.2 | -164.5 | 177.8 | 172.8 | -0.6 | 110 | | |
| 55 | K | 41 | Very low | 50.5 | Low | 208 Ų | 208 | 181 Ų | 181 | 90% | 0.904 | 77% | 0.772 | S | S | * | * | | | trans | -135.1 | 81.3 | 156.2 | -84.3 | -166.8 | 177.2 | -177 | 0 | 108 | | |
| 56 | R | 44.4 | Very low | 50.7 | Low | 322 Ų | 322 | 189.1 Ų | 189.1 | 100% | 1.215 | 80% | 0.798 | S | S | * | * | | | trans | -139.8 | 0 | 139.9 | -86.1 | -165 | -175 | 176.9 | 1.6 | 106.1 | | |