| 1 | M | 48.2 | Very low | 59.3 | Low | 229 Ų | 229 | 140.9 Ų | 140.9 | 100% | 1.128 | 76% | 0.763 | S | S | * | * | | | | 0 | 114.7 | 0 | -97.8 | 72.1 | 173.8 | 0 | 0 | 108.9 | | |
| 2 | S | 53.7 | Low | 59.4 | Low | 120 Ų | 120 | 140.3 Ų | 140.3 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | | | trans | -107.5 | 117.9 | 169.6 | 51 | 0 | 0 | 0 | 0 | 108.5 | | |
| 3 | F | 60.6 | Low | 59.7 | Low | 172 Ų | 172 | 136.5 Ų | 136.5 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | | | trans | -88.1 | 121 | 176 | 19.6 | -90.3 | 0 | 0 | 0 | 108.6 | I5 | F3-I5 PolarHBondContact O-N 3.4Š|
| 4 | L | 63 | Low | 59.8 | Low | 175 Ų | 175 | 140 Ų | 140 | 92% | 0.916 | 77% | 0.765 | S | S | * | * | | | trans | -79.7 | 108.9 | 168.2 | -71.9 | 167.6 | 0 | 0 | 0 | 107.1 | D6 | L4-D6 PolarHBondContact O-N 3.41Š|
| 5 | I | 63.4 | Low | 59.3 | Low | 128 Ų | 128 | 137.7 Ų | 137.7 | 66% | 0.656 | 76% | 0.76 | S | S | * | * | | | trans | -80 | 114.2 | 174.6 | -58.5 | 175.5 | 0 | 0 | 0 | 106.5 | F3 S7 I9 | F3-I5 PolarHBondContact O-N 3.4Å; I5-S7 PolarHBondContact O-N 2.81Å; I5-I9 HydrophobicContact CG2-CD1 3.93Å |
| 6 | D | 61.8 | Low | 59.5 | Low | 109 Ų | 109 | 144.6 Ų | 144.6 | 58% | 0.583 | 77% | 0.771 | S | S | * | * | | | trans | -60.6 | 127.9 | 174 | -178.2 | 6.9 | 0 | 0 | 0 | 109.8 | L4 S8 | L4-D6 PolarHBondContact O-N 3.41Å; D6-S8 PolarHBondContact O-N 3.43Å; D6-S8 PolarHBondContact OD1-N 3.01Å; D6-S8 PolarHBondContact OD1-OG 3.01Å; D6-S8 PolarHBondContact OD2-OG 3.31Å |
| 7 | S | 59.1 | Low | 59.1 | Low | 126 Ų | 126 | 146.2 Ų | 146.2 | 88% | 0.881 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -1.3 | -177.1 | -54.7 | 0 | 0 | 0 | 0 | 113.7 | I5 I9 | I5-S7 PolarHBondContact O-N 2.81Å; S7-I9 VanDerWaalsContact C-N 3.34Å |
| 8 | S | 59.3 | Low | 59.4 | Low | 80 Ų | 80 | 144.7 Ų | 144.7 | 56% | 0.559 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -5.3 | 178.8 | 70.2 | 0 | 0 | 0 | 0 | 114.5 | D6 M10 | D6-S8 PolarHBondContact O-N 3.43Å; D6-S8 PolarHBondContact OD1-N 3.01Å; D6-S8 PolarHBondContact OD1-OG 3.01Å; D6-S8 PolarHBondContact OD2-OG 3.31Å; S8-M10 PolarHBondContact O-N 3Å |
| 9 | I | 60.5 | Low | 59.1 | Low | 110 Ų | 110 | 140.1 Ų | 140.1 | 56% | 0.564 | 77% | 0.772 | S | S | * | * | | | trans | -72 | 84 | 178.1 | -51.1 | 174.7 | 0 | 0 | 0 | 109.1 | I5 S7 I11 | I5-I9 HydrophobicContact CG2-CD1 3.93Å; S7-I9 VanDerWaalsContact C-N 3.34Å; I9-I11 HydrophobicContact CG2-CD1 4.16Å; I9-I11 HydrophobicContact CG2-CG1 3.54Å; I9-I11 PolarHBondContact O-N 2.86Å |
| 10 | M | 61.5 | Low | 59.2 | Low | 171 Ų | 171 | 137.3 Ų | 137.3 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | | | trans | -65.9 | 86.4 | 164.5 | -85.2 | -179.9 | 43.7 | 0 | 0 | 108.9 | S8 T12 | S8-M10 PolarHBondContact O-N 3Å; M10-T12 VanDerWaalsContact C-N 3.26Å; M10-T12 PolarHBondContact O-N 2.76Å |
| 11 | I | 60.8 | Low | 59 | Low | 130 Ų | 130 | 142 Ų | 142 | 67% | 0.667 | 78% | 0.782 | S | S | * | * | | | trans | -75.8 | 87.4 | 165.6 | -52.4 | -178.9 | 0 | 0 | 0 | 107.1 | I9 S13 | I9-I11 HydrophobicContact CG2-CD1 4.16Å; I9-I11 HydrophobicContact CG2-CG1 3.54Å; I9-I11 PolarHBondContact O-N 2.86Å; I11-S13 VanDerWaalsContact C-N 3.26Å; I11-S13 PolarHBondContact O-N 3.07Å |
| 12 | T | 60.6 | Low | 59.3 | Low | 134 Ų | 134 | 136.6 Ų | 136.6 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | trans | -72.3 | 90.1 | 160.7 | 170.5 | 0 | 0 | 0 | 0 | 108 | M10 | M10-T12 VanDerWaalsContact C-N 3.26Å; M10-T12 PolarHBondContact O-N 2.76Å |
| 13 | S | 63.9 | Low | 59.6 | Low | 91 Ų | 91 | 135.3 Ų | 135.3 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | | | trans | -126.3 | 91.4 | 168.1 | 65.9 | 0 | 0 | 0 | 0 | 109.4 | I11 | I11-S13 VanDerWaalsContact C-N 3.26Å; I11-S13 PolarHBondContact O-N 3.07Å |
| 14 | Q | 60.2 | Low | 59.6 | Low | 185 Ų | 185 | 131.3 Ų | 131.3 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | | | trans | -135.4 | 154 | 161.2 | -69.3 | -166.4 | -20.7 | 0 | 0 | 109.3 | | |
| 15 | P | 52.8 | Low | 59.4 | Low | 106 Ų | 106 | 129 Ų | 129 | 69% | 0.688 | 75% | 0.753 | S | S | * | * | | | | -107.1 | 156.4 | -63.2 | 24 | -8.8 | 0 | 0 | 0 | 109.5 | L17 | P15-L17 PolarHBondContact O-N 2.78Š|
| 16 | R | 62.1 | Low | 59.1 | Low | 247 Ų | 247 | 134.2 Ų | 134.2 | 93% | 0.932 | 76% | 0.764 | S | S | * | * | | | trans | -63.2 | 110.9 | 166.8 | -72.7 | -170.4 | -176.6 | 179.5 | 2.4 | 107.9 | S18 | R16-S18 PolarHBondContact O-N 3.31Š|
| 17 | L | 53.6 | Low | 59.1 | Low | 172 Ų | 172 | 134.5 Ų | 134.5 | 90% | 0.901 | 77% | 0.769 | S | S | * | * | | | trans | -66.7 | 83.4 | 166.5 | -71.9 | 169.2 | 0 | 0 | 0 | 108 | P15 | P15-L17 PolarHBondContact O-N 2.78Š|
| 18 | S | 63.8 | Low | 59.2 | Low | 119 Ų | 119 | 133.8 Ų | 133.8 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | | | trans | -81 | 122.3 | 166.3 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | R16 | R16-S18 PolarHBondContact O-N 3.31Š|
| 19 | G | 54.6 | Low | 59.3 | Low | 58 Ų | 58 | 136.6 Ų | 136.6 | 60% | 0.598 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 117.1 | 105.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | W21 | G19-W21 PolarHBondContact O-N 3.1Š|
| 20 | G | 61.5 | Low | 59.3 | Low | 84 Ų | 84 | 140.9 Ų | 140.9 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 120.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 21 | W | 53.6 | Low | 59.1 | Low | 236 Ų | 236 | 140.3 Ų | 140.3 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 135.8 | 148.6 | -72.9 | 81.6 | 0 | 0 | 0 | 106.8 | G19 A23 | G19-W21 PolarHBondContact O-N 3.1Å; W21-A23 PolarHBondContact O-N 3.44Å; W21-A23 VanDerWaalsContact O-N 3.1Å |
| 22 | P | 55.2 | Low | 58.7 | Low | 116 Ų | 116 | 138.8 Ų | 138.8 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 126.6 | 169.7 | 25.3 | -30.3 | 0 | 0 | 0 | 105.9 | A24 | P22-A24 PolarHBondContact O-N 2.81Š|
| 23 | A | 59.5 | Low | 58.5 | Low | 92 Ų | 92 | 135 Ų | 135 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | | | trans | -42.4 | 110.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | W21 V25 | W21-A23 PolarHBondContact O-N 3.44Å; W21-A23 VanDerWaalsContact O-N 3.1Å; A23-V25 PolarHBondContact O-N 2.84Å |
| 24 | A | 60.8 | Low | 58.3 | Low | 88 Ų | 88 | 137.1 Ų | 137.1 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | -49.7 | 114.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 105.1 | P22 R26 | P22-A24 PolarHBondContact O-N 2.81Å; A24-R26 PolarHBondContact O-N 2.69Å |
| 25 | V | 59.3 | Low | 58.1 | Low | 128 Ų | 128 | 135.6 Ų | 135.6 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | trans | -48.1 | 111 | -179.2 | 174 | 0 | 0 | 0 | 0 | 104.3 | A23 V27 | A23-V25 PolarHBondContact O-N 2.84Å; V25-V27 PolarHBondContact O-N 2.79Å |
| 26 | R | 56.8 | Low | 58.3 | Low | 237 Ų | 237 | 137.5 Ų | 137.5 | 89% | 0.894 | 76% | 0.759 | S | S | * | * | | | trans | -64.2 | 90.9 | 177.4 | -88.9 | -178.6 | 156.7 | -157.2 | -3.9 | 104.8 | A24 P28 | A24-R26 PolarHBondContact O-N 2.69Å; R26-P28 VanDerWaalsContact O-CD 3.3Å; R26-P28 WeakPolarHBondContact O-CD 3.3Å; R26-P28 VanDerWaalsContact O-N 3.16Å |
| 27 | V | 62.1 | Low | 57.9 | Low | 114 Ų | 114 | 136.2 Ų | 136.2 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | | | trans | -57 | 120.3 | 162.2 | -176.3 | 0 | 0 | 0 | 0 | 103.2 | V25 T29 | V25-V27 PolarHBondContact O-N 2.79Å; V27-T29 PolarHBondContact O-N 2.84Å |
| 28 | P | 60.1 | Low | 58.2 | Low | 112 Ų | 112 | 131.8 Ų | 131.8 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | | | trans | -55.5 | 112.5 | 171.3 | -18.8 | 30.1 | 0 | 0 | 0 | 105.2 | R26 R30 | R26-P28 VanDerWaalsContact O-CD 3.3Å; R26-P28 WeakPolarHBondContact O-CD 3.3Å; R26-P28 VanDerWaalsContact O-N 3.16Å; P28-R30 PolarHBondContact O-N 2.85Å |
| 29 | T | 61.7 | Low | 58 | Low | 138 Ų | 138 | 132.9 Ų | 132.9 | 85% | 0.847 | 74% | 0.74 | S | S | * | * | | | trans | -62.8 | 89.5 | 168.5 | -48.9 | 0 | 0 | 0 | 0 | 104.2 | V27 H31 | V27-T29 PolarHBondContact O-N 2.84Å; T29-H31 VanDerWaalsContact C-N 3.33Å; T29-H31 PolarHBondContact O-N 2.69Å |
| 30 | R | 61.2 | Low | 58.2 | Low | 201 Ų | 201 | 139.1 Ų | 139.1 | 76% | 0.758 | 75% | 0.751 | S | S | * | * | | | trans | -62.2 | 105.1 | -178.1 | -161.6 | -179 | -168.1 | -176 | 2.6 | 103.9 | P28 P32 | P28-R30 PolarHBondContact O-N 2.85Å; R30-P32 WeakPolarHBondContact O-CD 3.46Å; R30-P32 VanDerWaalsContact O-N 3.15Å |
| 31 | H | 56.5 | Low | 57.8 | Low | 158 Ų | 158 | 138.6 Ų | 138.6 | 73% | 0.731 | 75% | 0.745 | S | S | * | * | | | trans | -53.1 | 124.5 | 169.1 | -168.1 | -69.4 | 0 | 0 | 0 | 105.4 | T29 S33 | T29-H31 VanDerWaalsContact C-N 3.33Å; T29-H31 PolarHBondContact O-N 2.69Å; H31-S33 VanDerWaalsContact C-N 3.29Å; H31-S33 PolarHBondContact O-N 3.26Å |
| 32 | P | 53.8 | Low | 58 | Low | 98 Ų | 98 | 133.2 Ų | 133.2 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | | | trans | -64.3 | 102.8 | 172.5 | 25.5 | -29.1 | 0 | 0 | 0 | 105.3 | R30 | R30-P32 WeakPolarHBondContact O-CD 3.46Å; R30-P32 VanDerWaalsContact O-N 3.15Å |
| 33 | S | 56.6 | Low | 58.1 | Low | 56 Ų | 56 | 130.3 Ų | 130.3 | 39% | 0.392 | 74% | 0.735 | S | S | . | * | | | trans | -63.7 | 148.4 | 159.3 | 56 | 0 | 0 | 0 | 0 | 106.5 | H31 E35 F36 | H31-S33 VanDerWaalsContact C-N 3.29Å; H31-S33 PolarHBondContact O-N 3.26Å; S33-E35 PolarHBondContact O-N 2.82Å; S33-F36 PolarHBondContact O-N 2.73Å |
| 34 | P | 57.8 | Low | 57.9 | Low | 135 Ų | 135 | 130.4 Ų | 130.4 | 88% | 0.877 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -14.3 | 178 | -21.7 | 33.1 | 0 | 0 | 0 | 113.2 | F36 | P34-F36 VanDerWaalsContact C-N 3.29Å; P34-F36 PolarHBondContact O-N 3.06Å |
| 35 | E | 57.1 | Low | 57.7 | Low | 153 Ų | 153 | 133 Ų | 133 | 72% | 0.715 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 20.8 | -175.6 | -60.2 | 148 | -173.7 | 0 | 0 | 112.9 | S33 R37 | S33-E35 PolarHBondContact O-N 2.82Å; E35-R37 PolarHBondContact O-N 2.75Å |
| 36 | F | 56.1 | Low | 57.3 | Low | 145 Ų | 145 | 132.2 Ų | 132.2 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | | | trans | -67.8 | 72 | 165.8 | -152.9 | -90.5 | 0 | 0 | 0 | 109.1 | S33 P34 S38 | S33-F36 PolarHBondContact O-N 2.73Å; P34-F36 VanDerWaalsContact C-N 3.29Å; P34-F36 PolarHBondContact O-N 3.06Å; F36-S38 PolarHBondContact O-N 3.32Å |
| 37 | R | 55.4 | Low | 57.2 | Low | 221 Ų | 221 | 124.8 Ų | 124.8 | 83% | 0.834 | 72% | 0.717 | S | S | * | * | | | trans | -64.3 | 100.4 | 171.4 | -71.5 | 179.2 | 74.5 | -175.2 | 3.3 | 106.2 | E35 T39 | E35-R37 PolarHBondContact O-N 2.75Å; R37-T39 PolarHBondContact O-N 2.87Å; R37-T39 VanDerWaalsContact O-N 3.07Å; R37-T39 PolarHBondContact O-OG1 3.16Å |
| 38 | S | 58.1 | Low | 56.8 | Low | 79 Ų | 79 | 131.5 Ų | 131.5 | 55% | 0.552 | 73% | 0.73 | S | S | * | * | | | trans | -42.8 | 116 | 170.3 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | F36 F40 | F36-S38 PolarHBondContact O-N 3.32Å; S38-F40 PolarHBondContact OG-N 3.38Å; S38-F40 PolarHBondContact O-N 3.49Å |
| 39 | T | 59.4 | Low | 56.4 | Low | 141 Ų | 141 | 133 Ų | 133 | 87% | 0.865 | 73% | 0.731 | S | S | * | * | | | trans | -89.5 | 20.2 | 172.1 | -20.5 | 0 | 0 | 0 | 0 | 110.8 | R37 G41 | R37-T39 PolarHBondContact O-N 2.87Å; R37-T39 VanDerWaalsContact O-N 3.07Å; R37-T39 PolarHBondContact O-OG1 3.16Å; T39-G41 PolarHBondContact O-N 3.48Å; T39-G41 VanDerWaalsContact O-N 3.16Å |
| 40 | F | 59.8 | Low | 56 | Low | 190 Ų | 190 | 136.5 Ų | 136.5 | 83% | 0.833 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -73 | 107.4 | 163.7 | -78.3 | -80.8 | 0 | 0 | 0 | 107.3 | S38 S42 | S38-F40 PolarHBondContact OG-N 3.38Å; S38-F40 PolarHBondContact O-N 3.49Å; F40-S42 PolarHBondContact O-N 2.93Å |
| 41 | G | 53.9 | Low | 55.8 | Low | 72 Ų | 72 | 131.8 Ų | 131.8 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | | | trans | -46.4 | 125.7 | -162.5 | 0 | 0 | 0 | 0 | 0 | 114 | T39 G43 | T39-G41 PolarHBondContact O-N 3.48Å; T39-G41 VanDerWaalsContact O-N 3.16Å; G41-G43 PolarHBondContact O-N 3.07Å |
| 42 | S | 57.6 | Low | 55.8 | Low | 124 Ų | 124 | 127.8 Ų | 127.8 | 87% | 0.867 | 73% | 0.734 | S | S | * | * | | | trans | -71.1 | 70.3 | 155.3 | 63.2 | 0 | 0 | 0 | 0 | 108.3 | F40 | F40-S42 PolarHBondContact O-N 2.93Š|
| 43 | G | 57.4 | Low | 55.5 | Low | 55 Ų | 55 | 126.3 Ų | 126.3 | 57% | 0.567 | 73% | 0.73 | S | S | * | * | | | trans | -66.5 | 142.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 108 | G41 | G41-G43 PolarHBondContact O-N 3.07Š|
| 44 | P | 55.3 | Low | 54.9 | Low | 93 Ų | 93 | 128.2 Ų | 128.2 | 60% | 0.604 | 75% | 0.749 | S | S | * | * | | | trans | -55.3 | 152.1 | 167.1 | 24.5 | -30.6 | 0 | 0 | 0 | 108.7 | T46 | P44-T46 HydrophobicContact CG-CG2 4.41Å; P44-T46 PolarHBondContact O-N 2.69Å; P44-T46 PolarHBondContact O-OG1 3.41Å |
| 45 | P | 56.3 | Low | 54.2 | Low | 142 Ų | 142 | 131 Ų | 131 | 92% | 0.922 | 77% | 0.772 | S | S | * | * | | | trans | -73 | 57.7 | 176 | 32.8 | -34 | 0 | 0 | 0 | 109.5 | S47 | P45-S47 PolarHBondContact O-N 3.24Å; P45-S47 VanDerWaalsContact O-N 3.16Å |
| 46 | T | 50.9 | Low | 54.1 | Low | 113 Ų | 113 | 130 Ų | 130 | 69% | 0.693 | 78% | 0.775 | S | S | * | * | | | trans | -79.3 | 102.7 | 171.6 | 34.8 | 0 | 0 | 0 | 0 | 107.8 | P44 | P44-T46 HydrophobicContact CG-CG2 4.41Å; P44-T46 PolarHBondContact O-N 2.69Å; P44-T46 PolarHBondContact O-OG1 3.41Å |
| 47 | S | 53.5 | Low | 53.9 | Low | 81 Ų | 81 | 129.2 Ų | 129.2 | 57% | 0.566 | 78% | 0.783 | S | S | * | * | | | trans | 59.9 | 90.1 | 139 | -156 | 0 | 0 | 0 | 0 | 114.3 | P45 L49 | P45-S47 PolarHBondContact O-N 3.24Å; P45-S47 VanDerWaalsContact O-N 3.16Å; S47-L49 PolarHBondContact O-N 3.16Å; S47-L49 WeakPolarHBondContact OG-CG 3.4Å |
| 48 | R | 53.8 | Low | 53.9 | Low | 254 Ų | 254 | 124.1 Ų | 124.1 | 96% | 0.958 | 78% | 0.78 | S | S | * | * | | | trans | -63.4 | 74.5 | 150.3 | -158.3 | 177 | -166.6 | 166 | 2.7 | 106.5 | R50 | R48-R50 PolarHBondContact O-N 2.89Š|
| 49 | L | 53.3 | Low | 53.6 | Low | 144 Ų | 144 | 126.7 Ų | 126.7 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | | | trans | -55.5 | 119.6 | 170.2 | -80.9 | 174.9 | 0 | 0 | 0 | 105.8 | S47 A51 | S47-L49 PolarHBondContact O-N 3.16Å; S47-L49 WeakPolarHBondContact OG-CG 3.4Å; L49-A51 PolarHBondContact O-N 3.38Å |
| 50 | R | 52.3 | Low | 53.3 | Low | 212 Ų | 212 | 125.8 Ų | 125.8 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | | | trans | -52.2 | 83.3 | 175.5 | -165.1 | -178.6 | -157.7 | -147.6 | 4.4 | 109.4 | R48 G52 | R48-R50 PolarHBondContact O-N 2.89Å; R50-G52 PolarHBondContact O-N 2.7Å |
| 51 | A | 57.8 | Low | 52.8 | Low | 102 Ų | 102 | 121.5 Ų | 121.5 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | -70.5 | 109.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | L49 | L49-A51 PolarHBondContact O-N 3.38Š|
| 52 | G | 55.5 | Low | 52.7 | Low | 74 Ų | 74 | 125.1 Ų | 125.1 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | | | trans | 94.9 | 72.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | R50 | R50-G52 PolarHBondContact O-N 2.7Š|
| 53 | A | 47.4 | Very low | 52.4 | Low | 66 Ų | 66 | 125.2 Ų | 125.2 | 55% | 0.545 | 78% | 0.783 | S | S | . | * | | | trans | -137.5 | 82.5 | 138.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 54 | A | 43.8 | Very low | 52 | Low | 96 Ų | 96 | 131 Ų | 131 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | | | trans | -85.2 | 147.1 | 164 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 55 | S | 43.6 | Very low | 51.6 | Low | 195 Ų | 195 | 134.5 Ų | 134.5 | 100% | 1.364 | 82% | 0.818 | S | S | * | * | | | trans | 88.3 | 0 | 178.8 | -155.2 | 0 | 0 | 0 | 0 | 117.7 | | |