| 1 | T | 42.1 | Very low | 41.8 | Very low | 195 Ų | 195 | 145.9 Ų | 145.9 | 100% | 1.196 | 86% | 0.857 | S | S | * | * | | | | 0 | 89.9 | 0 | 27.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 2 | N | 37.8 | Very low | 41.8 | Very low | 171 Ų | 171 | 148.5 Ų | 148.5 | 91% | 0.914 | 86% | 0.861 | S | S | * | * | | | trans | -106.8 | 101 | 175.6 | -101.5 | -46.7 | 0 | 0 | 0 | 107.7 | | |
| 3 | G | 40.9 | Very low | 41.4 | Very low | 68 Ų | 68 | 152.5 Ų | 152.5 | 70% | 0.701 | 86% | 0.862 | S | S | * | * | | | trans | -79.1 | 118.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | R5 | G3-R5 PolarHBondContact O-N 3.18Š|
| 4 | N | 45.3 | Very low | 41.4 | Very low | 157 Ų | 157 | 148.3 Ų | 148.3 | 84% | 0.84 | 85% | 0.847 | S | S | * | * | | | trans | -62.6 | 95.2 | 165.4 | -85.5 | 2 | 0 | 0 | 0 | 109 | C6 | N4-C6 PolarHBondContact O-N 2.91Å; N4-C6 VanDerWaalsContact O-N 3.12Å |
| 5 | R | 46 | Very low | 41.2 | Very low | 238 Ų | 238 | 150.1 Ų | 150.1 | 90% | 0.898 | 85% | 0.845 | S | S | * | * | | | trans | -72.9 | 99.1 | 164.2 | -68.2 | -176.6 | -167.8 | 173 | 4.2 | 107.2 | G3 C7 | G3-R5 PolarHBondContact O-N 3.18Å; R5-C7 PolarHBondContact O-N 2.96Å |
| 6 | C | 47.2 | Very low | 42 | Very low | 117 Ų | 117 | 147.3 Ų | 147.3 | 79% | 0.791 | 83% | 0.834 | S | S | * | * | | | trans | -52.7 | 127.5 | 167.2 | -62.3 | 0 | 0 | 0 | 0 | 108.9 | N4 A8 | N4-C6 PolarHBondContact O-N 2.91Å; N4-C6 VanDerWaalsContact O-N 3.12Å; C6-A8 PolarHBondContact O-N 3.23Å |
| 7 | C | 46 | Very low | 41.8 | Very low | 127 Ų | 127 | 152.5 Ų | 152.5 | 86% | 0.858 | 84% | 0.838 | S | S | * | * | | | trans | -58.2 | 105.7 | 172.2 | -61.8 | 0 | 0 | 0 | 0 | 108.7 | R5 W9 | R5-C7 PolarHBondContact O-N 2.96Å; C7-W9 PolarHBondContact O-N 2.95Å |
| 8 | A | 40.5 | Very low | 41.6 | Very low | 81 Ų | 81 | 150.4 Ų | 150.4 | 67% | 0.669 | 84% | 0.836 | S | S | * | * | | | trans | -65.3 | 117.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | C6 S10 | C6-A8 PolarHBondContact O-N 3.23Å; A8-S10 PolarHBondContact O-N 2.8Å |
| 9 | W | 38.3 | Very low | 41.9 | Very low | 267 Ų | 267 | 156.2 Ų | 156.2 | 100% | 1.011 | 84% | 0.844 | S | S | * | * | | | trans | -71.3 | 87.2 | 162.2 | -104.8 | 12.8 | 0 | 0 | 0 | 108 | C7 | C7-W9 PolarHBondContact O-N 2.95Š|
| 10 | S | 40.4 | Very low | 42 | Very low | 106 Ų | 106 | 155.2 Ų | 155.2 | 74% | 0.741 | 84% | 0.843 | S | S | * | * | | | trans | -76.8 | 130.7 | 167.3 | -65.4 | 0 | 0 | 0 | 0 | 109.2 | A8 | A8-S10 PolarHBondContact O-N 2.8Š|
| 11 | G | 35 | Very low | 42.1 | Very low | 78 Ų | 78 | 158.9 Ų | 158.9 | 80% | 0.804 | 85% | 0.845 | S | S | * | * | | | trans | -64.2 | 157.7 | -166.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 12 | I | 41.8 | Very low | 42.2 | Very low | 177 Ų | 177 | 155.1 Ų | 155.1 | 91% | 0.908 | 82% | 0.824 | S | S | * | * | | | trans | -107.9 | 103.5 | 163.2 | -57.9 | 174 | 0 | 0 | 0 | 106.8 | | |
| 13 | K | 37.1 | Very low | 42.8 | Very low | 200 Ų | 200 | 152.9 Ų | 152.9 | 87% | 0.87 | 82% | 0.818 | S | S | * | * | | | trans | -83.3 | 117.6 | 168.7 | -113.9 | 179.5 | 179.8 | -178.7 | 0 | 108.9 | | |
| 14 | S | 41.5 | Very low | 43.1 | Very low | 94 Ų | 94 | 161.2 Ų | 161.2 | 66% | 0.657 | 83% | 0.829 | S | S | * | * | | | trans | 93.8 | 134.2 | 131.1 | 91.1 | 0 | 0 | 0 | 0 | 121.9 | | |
| 15 | H | 38.1 | Very low | 43 | Very low | 175 Ų | 175 | 163 Ų | 163 | 81% | 0.81 | 83% | 0.834 | S | S | * | * | | | trans | 99.9 | 145.4 | 147.3 | -75.5 | 86.5 | 0 | 0 | 0 | 122.5 | | |
| 16 | P | 53.6 | Low | 43 | Very low | 105 Ų | 105 | 163 Ų | 163 | 68% | 0.682 | 83% | 0.834 | S | S | * | * | | | trans | -106.7 | 177.5 | -153.2 | 42.4 | -34.6 | 0 | 0 | 0 | 114.2 | | |
| 17 | R | 39.3 | Very low | 42.9 | Very low | 237 Ų | 237 | 169.1 Ų | 169.1 | 89% | 0.894 | 84% | 0.841 | S | S | * | * | | | trans | 76.8 | 102.5 | 176 | -69 | -176.1 | -179.2 | -152 | -0.1 | 116.4 | | |
| 18 | S | 37.6 | Very low | 42.5 | Very low | 114 Ų | 114 | 171.7 Ų | 171.7 | 80% | 0.797 | 84% | 0.842 | S | S | * | * | | | | 169.6 | 148.3 | 105.7 | 47.7 | 0 | 0 | 0 | 0 | 109.6 | T20 | S18-T20 PolarHBondContact O-N 2.99Š|
| 19 | W | 47.6 | Very low | 42.6 | Very low | 260 Ų | 260 | 179.1 Ų | 179.1 | 99% | 0.985 | 85% | 0.853 | S | S | * | * | | | trans | -62.3 | 124.5 | -172.2 | -80.7 | 26.3 | 0 | 0 | 0 | 113.6 | | |
| 20 | T | 44.6 | Very low | 43 | Very low | 136 Ų | 136 | 172.5 Ų | 172.5 | 83% | 0.834 | 84% | 0.842 | S | S | * | * | | | trans | -145.5 | 127.4 | 151.4 | -30.9 | 0 | 0 | 0 | 0 | 108.6 | S18 | S18-T20 PolarHBondContact O-N 2.99Š|
| 21 | R | 43.1 | Very low | 43 | Very low | 234 Ų | 234 | 176 Ų | 176 | 88% | 0.883 | 85% | 0.847 | S | S | * | * | | | trans | -43.6 | 148.3 | 178.9 | -95.9 | 175.6 | 164.3 | 175.5 | -4.4 | 112.8 | | |
| 22 | P | 44.5 | Very low | 43.4 | Very low | 116 Ų | 116 | 178.3 Ų | 178.3 | 75% | 0.753 | 85% | 0.846 | S | S | * | * | | | trans | -65.3 | 130.7 | 179.1 | 28.2 | -32.6 | 0 | 0 | 0 | 110 | R24 | P22-R24 PolarHBondContact O-N 2.92Š|
| 23 | P | 50.1 | Low | 43.4 | Very low | 123 Ų | 123 | 174.9 Ų | 174.9 | 80% | 0.799 | 84% | 0.838 | S | S | * | * | | | trans | -67.4 | 128.4 | 168 | 26.4 | -29.3 | 0 | 0 | 0 | 108.4 | M25 | P23-M25 PolarHBondContact O-N 3.19Š|
| 24 | R | 48.5 | Very low | 43.6 | Very low | 244 Ų | 244 | 175.6 Ų | 175.6 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | | | trans | -37.1 | 124.7 | 173.5 | -92.7 | 176.2 | 165.1 | 166.8 | -4.8 | 110.5 | P22 R26 | P22-R24 PolarHBondContact O-N 2.92Å; R24-R26 PolarHBondContact O-N 3.05Å |
| 25 | M | 41.4 | Very low | 43.4 | Very low | 194 Ų | 194 | 177.8 Ų | 177.8 | 96% | 0.956 | 85% | 0.848 | S | S | * | * | | | trans | -58 | 99.8 | 167.8 | -75.9 | -149.9 | -75.3 | 0 | 0 | 109.4 | P23 R27 | P23-M25 PolarHBondContact O-N 3.19Å; M25-R27 PolarHBondContact O-N 3.02Å |
| 26 | R | 46.1 | Very low | 43.8 | Very low | 238 Ų | 238 | 175 Ų | 175 | 90% | 0.898 | 84% | 0.844 | S | S | * | * | | | trans | -69.3 | 116.8 | 158.8 | -94.8 | 172.6 | 82.6 | 169.5 | 2.7 | 105.8 | R24 M28 | R24-R26 PolarHBondContact O-N 3.05Å; R26-M28 PolarHBondContact O-N 3.09Å |
| 27 | R | 45.3 | Very low | 43 | Very low | 246 Ų | 246 | 175.4 Ų | 175.4 | 93% | 0.928 | 85% | 0.849 | S | S | * | * | | | trans | -39.4 | 113.9 | 168.9 | -103.4 | -179.5 | 176.8 | -167.5 | -1.2 | 108.7 | M25 R29 | M25-R27 PolarHBondContact O-N 3.02Å; R27-R29 PolarHBondContact O-N 3.47Å |
| 28 | M | 38.3 | Very low | 43 | Very low | 180 Ų | 180 | 168 Ų | 168 | 89% | 0.887 | 84% | 0.839 | S | S | * | * | | | trans | -64.8 | 109.8 | 171.2 | -144.4 | 179.3 | -69.8 | 0 | 0 | 105.9 | R26 T30 | R26-M28 PolarHBondContact O-N 3.09Å; M28-T30 PolarHBondContact O-N 2.98Å; M28-T30 VanDerWaalsContact O-N 3.14Å |
| 29 | R | 41.8 | Very low | 43.2 | Very low | 237 Ų | 237 | 174 Ų | 174 | 89% | 0.894 | 84% | 0.844 | S | S | * | * | | | trans | -70.8 | 106.4 | 171.9 | -156.6 | 180 | -165.4 | -155.4 | 4.9 | 104.6 | R27 E31 | R27-R29 PolarHBondContact O-N 3.47Å; R29-E31 PolarHBondContact O-N 3.3Å; R29-E31 VanDerWaalsContact C-N 3.31Å |
| 30 | T | 48.4 | Very low | 42.9 | Very low | 128 Ų | 128 | 165.9 Ų | 165.9 | 79% | 0.785 | 83% | 0.833 | S | S | * | * | | | trans | -61.5 | 99.9 | 169.3 | 30.7 | 0 | 0 | 0 | 0 | 107.5 | M28 T32 | M28-T30 PolarHBondContact O-N 2.98Å; M28-T30 VanDerWaalsContact O-N 3.14Å; T30-T32 VanDerWaalsContact C-N 3.34Å; T30-T32 PolarHBondContact O-N 2.99Å; T30-T32 VanDerWaalsContact O-N 3.1Å |
| 31 | E | 39.7 | Very low | 42.8 | Very low | 180 Ų | 180 | 171.4 Ų | 171.4 | 84% | 0.841 | 84% | 0.838 | S | S | * | * | | | trans | -74.6 | 92.8 | 170.5 | -167.9 | 168.4 | -173.1 | 0 | 0 | 106.8 | R29 S33 | R29-E31 PolarHBondContact O-N 3.3Å; R29-E31 VanDerWaalsContact C-N 3.31Å; E31-S33 PolarHBondContact O-N 3.06Å |
| 32 | T | 42.8 | Very low | 42.6 | Very low | 127 Ų | 127 | 166 Ų | 166 | 78% | 0.779 | 83% | 0.834 | S | S | * | * | | | trans | -69.2 | 83.9 | 169.4 | -38 | 0 | 0 | 0 | 0 | 107.2 | T30 R34 | T30-T32 VanDerWaalsContact C-N 3.34Å; T30-T32 PolarHBondContact O-N 2.99Å; T30-T32 VanDerWaalsContact O-N 3.1Å; T32-R34 PolarHBondContact O-N 3.11Å |
| 33 | S | 41.9 | Very low | 42.4 | Very low | 105 Ų | 105 | 171 Ų | 171 | 73% | 0.734 | 84% | 0.838 | S | S | * | * | | | trans | -58.7 | 125.6 | 171.8 | 179.4 | 0 | 0 | 0 | 0 | 108.6 | E31 C35 | E31-S33 PolarHBondContact O-N 3.06Å; S33-C35 PolarHBondContact O-N 3Å |
| 34 | R | 41.8 | Very low | 41.9 | Very low | 215 Ų | 215 | 173.6 Ų | 173.6 | 81% | 0.811 | 84% | 0.844 | S | S | * | * | | | trans | -67.1 | 112.7 | -169.9 | -66.5 | 170 | 178 | 163.3 | -2.5 | 110.7 | T32 T36 | T32-R34 PolarHBondContact O-N 3.11Å; R34-T36 VanDerWaalsContact C-N 3.35Å; R34-T36 PolarHBondContact O-N 3.47Å |
| 35 | C | 37.8 | Very low | 41.4 | Very low | 139 Ų | 139 | 169.9 Ų | 169.9 | 94% | 0.939 | 84% | 0.837 | S | S | * | * | | | trans | -86.4 | 85.5 | 148.6 | -68.8 | 0 | 0 | 0 | 0 | 107.6 | S33 | S33-C35 PolarHBondContact O-N 3Š|
| 36 | T | 45.6 | Very low | 41.3 | Very low | 117 Ų | 117 | 165.6 Ų | 165.6 | 72% | 0.718 | 83% | 0.826 | S | S | * | * | | | trans | -89.5 | 114.5 | 169.6 | -48.1 | 0 | 0 | 0 | 0 | 108.4 | R34 | R34-T36 VanDerWaalsContact C-N 3.35Å; R34-T36 PolarHBondContact O-N 3.47Å |
| 37 | S | 36.7 | Very low | 41.4 | Very low | 114 Ų | 114 | 160.8 Ų | 160.8 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | | | trans | -158.5 | 102.3 | 146.1 | -157.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 38 | A | 39.4 | Very low | 41.5 | Very low | 82 Ų | 82 | 154.6 Ų | 154.6 | 68% | 0.678 | 82% | 0.82 | S | S | * | * | | | trans | 56.2 | 133.1 | 146.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 39 | R | 42.8 | Very low | 41.8 | Very low | 238 Ų | 238 | 150.8 Ų | 150.8 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | | | cis | -161.2 | 149.3 | 34 | -79.1 | -178.7 | 175.9 | -145.3 | -6.9 | 110.4 | | |
| 40 | A | 40.2 | Very low | 41.7 | Very low | 91 Ų | 91 | 144.5 Ų | 144.5 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | | | trans | 43.7 | 109.6 | 152.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 41 | W | 41.8 | Very low | 41.3 | Very low | 251 Ų | 251 | 141.5 Ų | 141.5 | 95% | 0.951 | 81% | 0.811 | S | S | * | * | | | trans | -65.3 | 125.3 | 157.1 | -60.5 | 84.9 | 0 | 0 | 0 | 109.3 | R43 | W41-R43 PolarHBondContact O-N 2.94Š|
| 42 | P | 40.4 | Very low | 41.5 | Very low | 122 Ų | 122 | 143.6 Ų | 143.6 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | | | trans | -68.8 | 123.9 | 159.7 | 27.7 | -27.9 | 0 | 0 | 0 | 107.7 | L44 | P42-L44 PolarHBondContact O-N 3.12Š|
| 43 | R | 39 | Very low | 41.9 | Very low | 220 Ų | 220 | 149.5 Ų | 149.5 | 83% | 0.83 | 82% | 0.819 | S | S | * | * | | | trans | -38.6 | 124.9 | 167.4 | -159.9 | 177 | -170.4 | 179.2 | 1.1 | 109.4 | W41 E45 | W41-R43 PolarHBondContact O-N 2.94Å; R43-E45 VanDerWaalsContact C-N 3.25Å; R43-E45 PolarHBondContact O-N 3.34Å |
| 44 | L | 39.6 | Very low | 42.1 | Very low | 178 Ų | 178 | 153.3 Ų | 153.3 | 93% | 0.932 | 82% | 0.822 | S | S | * | * | | | trans | -62.2 | 91.7 | 164.7 | -93.6 | 140.6 | 0 | 0 | 0 | 107.6 | P42 | P42-L44 PolarHBondContact O-N 3.12Š|
| 45 | E | 38.3 | Very low | 42.3 | Very low | 166 Ų | 166 | 145.9 Ų | 145.9 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | | | trans | -73.9 | 132.4 | 156.6 | -69.8 | -167.9 | 141.4 | 0 | 0 | 107.9 | R43 | R43-E45 VanDerWaalsContact C-N 3.25Å; R43-E45 PolarHBondContact O-N 3.34Å |
| 46 | S | 39.1 | Very low | 43 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | trans | -46.4 | 152.8 | 178.4 | -57.5 | 0 | 0 | 0 | 0 | 113.2 | S48 | S46-S48 PolarHBondContact O-N 3.12Š|
| 47 | P | 48.4 | Very low | 43.1 | Very low | 136 Ų | 136 | 151 Ų | 151 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | | | trans | -69.5 | 105.8 | -176.1 | 30.1 | -32 | 0 | 0 | 0 | 109.1 | | |
| 48 | S | 48.5 | Very low | 43.7 | Very low | 116 Ų | 116 | 150.1 Ų | 150.1 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | | | trans | -131 | 127 | 167 | -113.6 | 0 | 0 | 0 | 0 | 109.5 | S46 | S46-S48 PolarHBondContact O-N 3.12Š|
| 49 | A | 43.4 | Very low | 44.3 | Very low | 100 Ų | 100 | 155.4 Ų | 155.4 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | | | trans | 64.3 | 92 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | G51 | A49-G51 PolarHBondContact O-N 2.9Š|
| 50 | A | 40.1 | Very low | 44.5 | Very low | 106 Ų | 106 | 149.4 Ų | 149.4 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | | | trans | -63.4 | 82.7 | 157.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 51 | G | 39.7 | Very low | 45.1 | Very low | 65 Ų | 65 | 153 Ų | 153 | 67% | 0.67 | 82% | 0.822 | S | S | * | * | | | trans | -80 | 128 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | A49 | A49-G51 PolarHBondContact O-N 2.9Š|
| 52 | W | 44.8 | Very low | 45.6 | Very low | 224 Ų | 224 | 147.6 Ų | 147.6 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | | | trans | -61.2 | 137 | -174.6 | -61.5 | 73.1 | 0 | 0 | 0 | 113.3 | | |
| 53 | R | 50.4 | Low | 45.8 | Very low | 250 Ų | 250 | 147.1 Ų | 147.1 | 94% | 0.943 | 82% | 0.816 | S | S | * | * | | | trans | -125.4 | 102.6 | 156.9 | -70.6 | -174.2 | 175.8 | -96.6 | 0.3 | 108.9 | | |
| 54 | K | 45.1 | Very low | 45.9 | Very low | 185 Ų | 185 | 140 Ų | 140 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | -99.9 | 108.5 | 169.8 | -100.6 | -178 | 176.3 | 178.8 | 0 | 109.2 | | |
| 55 | G | 47.7 | Very low | 46.1 | Very low | 59 Ų | 59 | 138.2 Ų | 138.2 | 61% | 0.608 | 81% | 0.808 | S | S | * | * | | | trans | -85.3 | 168.4 | 154.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | W57 | G55-W57 PolarHBondContact O-N 2.82Å; G55-W57 VanDerWaalsContact C-N 3.3Å |
| 56 | P | 52 | Low | 46 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -83 | 21.8 | -150 | 32.6 | -35.1 | 0 | 0 | 0 | 116.6 | | |
| 57 | W | 47.8 | Very low | 46 | Very low | 240 Ų | 240 | 139.9 Ų | 139.9 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | | | trans | -125.3 | 83.4 | -172.7 | -70.7 | 90.8 | 0 | 0 | 0 | 112.7 | G55 | G55-W57 PolarHBondContact O-N 2.82Å; G55-W57 VanDerWaalsContact C-N 3.3Å |
| 58 | A | 48.5 | Very low | 46 | Very low | 96 Ų | 96 | 142.4 Ų | 142.4 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | | | trans | -165.7 | 111.5 | 152.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 59 | Q | 53.3 | Low | 45.4 | Very low | 192 Ų | 192 | 140.2 Ų | 140.2 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | | | trans | -106.3 | 137.2 | 167.1 | -63.5 | -144.5 | -25.1 | 0 | 0 | 110 | | |
| 60 | P | 45.5 | Very low | 45.9 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 135.3 | 178.6 | 32.6 | -31.4 | 0 | 0 | 0 | 111.9 | | |
| 61 | I | 53.1 | Low | 46 | Very low | 165 Ų | 165 | 139.4 Ų | 139.4 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 125.9 | 170.8 | -59 | 170.6 | 0 | 0 | 0 | 108.1 | | |
| 62 | V | 51.8 | Low | 46.6 | Very low | 139 Ų | 139 | 149 Ų | 149 | 84% | 0.842 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 118.9 | 176.3 | 177.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 63 | S | 46.3 | Very low | 46.5 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | | | trans | -157.5 | 119.7 | 161.1 | 61.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 64 | G | 40.4 | Very low | 46.3 | Very low | 70 Ų | 70 | 139.6 Ų | 139.6 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | | | trans | 118.5 | 96.8 | 141.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 65 | V | 43.8 | Very low | 46.6 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | | | trans | 62.9 | 103 | 139.1 | -161.8 | 0 | 0 | 0 | 0 | 119.6 | G67 | V65-G67 PolarHBondContact O-N 2.96Š|
| 66 | Y | 36.3 | Very low | 46.5 | Very low | 236 Ų | 236 | 140.2 Ų | 140.2 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | | | trans | -80.9 | 106.1 | 162.3 | -95.6 | -102.8 | 0 | 0 | 0 | 110.5 | | |
| 67 | G | 38.4 | Very low | 46.2 | Very low | 69 Ų | 69 | 139.7 Ų | 139.7 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | | | trans | -88.2 | 122.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | V65 | V65-G67 PolarHBondContact O-N 2.96Š|
| 68 | H | 49.6 | Very low | 46 | Very low | 189 Ų | 189 | 133.2 Ų | 133.2 | 88% | 0.875 | 81% | 0.809 | S | S | * | * | | | trans | -80.2 | 117.5 | -178.7 | -156.9 | 105.2 | 0 | 0 | 0 | 109.9 | | |
| 69 | G | 35.3 | Very low | 45.9 | Very low | 69 Ų | 69 | 135.9 Ų | 135.9 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | | | trans | -151.5 | 108.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | G71 | G69-G71 PolarHBondContact O-N 3.35Å; G69-G71 VanDerWaalsContact O-N 3.11Å |
| 70 | S | 53.5 | Low | 45.5 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | | | trans | -60.7 | 106.7 | -177.1 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 71 | G | 41.6 | Very low | 45.7 | Very low | 65 Ų | 65 | 133.2 Ų | 133.2 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | | | trans | -148.2 | 120.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | G69 G73 | G69-G71 PolarHBondContact O-N 3.35Å; G69-G71 VanDerWaalsContact O-N 3.11Å; G71-G73 PolarHBondContact O-N 2.94Å |
| 72 | R | 54 | Low | 45.8 | Very low | 266 Ų | 266 | 133.7 Ų | 133.7 | 100% | 1.004 | 79% | 0.793 | S | S | * | * | | | trans | -51.6 | 106.3 | 175.7 | -77.3 | 173.7 | 167.9 | 178.6 | -3.7 | 110.3 | | |
| 73 | G | 41.3 | Very low | 45.5 | Very low | 65 Ų | 65 | 135.9 Ų | 135.9 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | | | trans | -156.7 | 111.8 | 172 | 0 | 0 | 0 | 0 | 0 | 107.7 | G71 G75 | G71-G73 PolarHBondContact O-N 2.94Å; G73-G75 PolarHBondContact O-N 3.02Å; G73-G75 VanDerWaalsContact O-N 3.12Å |
| 74 | K | 47.1 | Very low | 45.7 | Very low | 213 Ų | 213 | 137.8 Ų | 137.8 | 93% | 0.926 | 79% | 0.791 | S | S | * | * | | | trans | -50.7 | 121.4 | 178.5 | -71.2 | 179.2 | 175.2 | 178.2 | 0 | 108.5 | Q76 | K74-Q76 PolarHBondContact O-N 3.12Š|
| 75 | G | 51.4 | Low | 46.1 | Very low | 76 Ų | 76 | 140.1 Ų | 140.1 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | | | trans | -55.7 | 111.8 | 173 | 0 | 0 | 0 | 0 | 0 | 109.8 | G73 | G73-G75 PolarHBondContact O-N 3.02Å; G73-G75 VanDerWaalsContact O-N 3.12Å |
| 76 | Q | 45.2 | Very low | 46.1 | Very low | 180 Ų | 180 | 136 Ų | 136 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | | | trans | -142.1 | 92.2 | 150.6 | -79.5 | -166.5 | -30.5 | 0 | 0 | 106.4 | K74 S78 | K74-Q76 PolarHBondContact O-N 3.12Å; Q76-S78 PolarHBondContact O-N 3Å |
| 77 | S | 45.7 | Very low | 46.6 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | trans | -63.3 | 80.2 | 158.7 | 10.3 | 0 | 0 | 0 | 0 | 107.9 | L79 | S77-L79 PolarHBondContact O-N 2.83Å; S77-L79 VanDerWaalsContact O-N 3.12Å |
| 78 | S | 44 | Very low | 46.8 | Very low | 104 Ų | 104 | 131 Ų | 131 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -80.4 | 83.4 | 162.1 | -173.5 | 0 | 0 | 0 | 0 | 106.5 | Q76 H80 | Q76-S78 PolarHBondContact O-N 3Å; S78-H80 VanDerWaalsContact C-N 3.28Å; S78-H80 PolarHBondContact O-N 3.31Å |
| 79 | L | 46.7 | Very low | 46.5 | Very low | 151 Ų | 151 | 128.2 Ų | 128.2 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | | | trans | -56.6 | 98.2 | 162.9 | -76 | 157.5 | 0 | 0 | 0 | 106.9 | S77 P81 | S77-L79 PolarHBondContact O-N 2.83Å; S77-L79 VanDerWaalsContact O-N 3.12Å; L79-P81 WeakPolarHBondContact O-CD 3.47Å |
| 80 | H | 44.4 | Very low | 47 | Very low | 157 Ų | 157 | 131.3 Ų | 131.3 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -87.8 | 99.4 | 166.3 | -175 | -102.3 | 0 | 0 | 0 | 107.1 | S78 Q82 | S78-H80 VanDerWaalsContact C-N 3.28Å; S78-H80 PolarHBondContact O-N 3.31Å; H80-Q82 PolarHBondContact O-N 3.25Å |
| 81 | P | 49.1 | Very low | 46.5 | Very low | 93 Ų | 93 | 136.8 Ų | 136.8 | 60% | 0.604 | 78% | 0.783 | S | S | * | * | | | trans | -66.5 | 112.6 | 173.3 | 26.4 | -31.5 | 0 | 0 | 0 | 108.2 | L79 F83 | L79-P81 WeakPolarHBondContact O-CD 3.47Å; P81-F83 PolarHBondContact O-N 3.31Å |
| 82 | Q | 55.3 | Low | 46.9 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | -60.8 | 105.1 | 161.8 | -77.5 | 178 | 41.9 | 0 | 0 | 107.1 | H80 I84 | H80-Q82 PolarHBondContact O-N 3.25Å; Q82-I84 PolarHBondContact O-N 2.85Å; Q82-I84 VanDerWaalsContact O-N 3.09Å |
| 83 | F | 45.7 | Very low | 46.2 | Very low | 186 Ų | 186 | 130.5 Ų | 130.5 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | | | trans | -65.8 | 107.5 | 175.4 | -115.5 | -98.9 | 0 | 0 | 0 | 108.6 | P81 P85 | P81-F83 PolarHBondContact O-N 3.31Å; F83-P85 WeakPolarHBondContact O-CD 3.08Å |
| 84 | I | 51.4 | Low | 46.6 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | trans | -85.6 | 115.6 | 161.5 | -56.9 | 178.7 | 0 | 0 | 0 | 105.7 | Q82 G86 | Q82-I84 PolarHBondContact O-N 2.85Å; Q82-I84 VanDerWaalsContact O-N 3.09Å; I84-G86 PolarHBondContact O-N 3.1Å |
| 85 | P | 48.5 | Very low | 46.5 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | | | trans | -64.3 | 110.1 | 176.4 | -16.6 | 29.8 | 0 | 0 | 0 | 109.6 | F83 | F83-P85 WeakPolarHBondContact O-CD 3.08Š|
| 86 | G | 43.8 | Very low | 45.9 | Very low | 55 Ų | 55 | 127 Ų | 127 | 57% | 0.567 | 78% | 0.782 | S | S | * | * | | | trans | -71.1 | 156.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I84 G88 | I84-G86 PolarHBondContact O-N 3.1Å; G86-G88 PolarHBondContact O-N 2.89Å |
| 87 | P | 47.4 | Very low | 46 | Very low | 145 Ų | 145 | 124.8 Ų | 124.8 | 94% | 0.942 | 79% | 0.785 | S | S | * | * | | | trans | -69.2 | 103.2 | -177.6 | 28.5 | -31.8 | 0 | 0 | 0 | 110 | | |
| 88 | G | 41.9 | Very low | 45.7 | Very low | 55 Ų | 55 | 130.3 Ų | 130.3 | 57% | 0.567 | 79% | 0.788 | S | S | * | * | | | trans | -82.1 | 163.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G86 | G86-G88 PolarHBondContact O-N 2.89Š|
| 89 | P | 43.7 | Very low | 45.8 | Very low | 130 Ų | 130 | 132.9 Ų | 132.9 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | | | trans | -66.6 | 135.5 | -172 | 26.9 | -33 | 0 | 0 | 0 | 111.9 | R91 | P89-R91 PolarHBondContact O-N 3.14Š|
| 90 | C | 46 | Very low | 45.6 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 91% | 0.912 | 80% | 0.795 | S | S | * | * | | | trans | -61.3 | 99.1 | -179.3 | -51.1 | 0 | 0 | 0 | 0 | 110.4 | G92 | C90-G92 PolarHBondContact O-N 2.8Š|
| 91 | R | 42.4 | Very low | 45.5 | Very low | 238 Ų | 238 | 136.4 Ų | 136.4 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | | | trans | -73.8 | 108.8 | 174.5 | -142.8 | 177.6 | 173.5 | -144 | -2.6 | 107.6 | P89 T93 | P89-R91 PolarHBondContact O-N 3.14Å; R91-T93 PolarHBondContact O-N 3.05Å |
| 92 | G | 50.3 | Low | 45.2 | Very low | 77 Ų | 77 | 139.5 Ų | 139.5 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | | | trans | -55.7 | 111.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | C90 | C90-G92 PolarHBondContact O-N 2.8Š|
| 93 | T | 38.3 | Very low | 44.9 | Very low | 122 Ų | 122 | 137 Ų | 137 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | | | trans | -133.8 | 101.8 | 153.4 | 55.2 | 0 | 0 | 0 | 0 | 106.7 | R91 | R91-T93 PolarHBondContact O-N 3.05Š|
| 94 | S | 50.6 | Low | 44.6 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 12.8 | 110.5 | 148.4 | 54.6 | 0 | 0 | 0 | 0 | 116.6 | | |
| 95 | G | 45.5 | Very low | 43.9 | Very low | 85 Ų | 85 | 131 Ų | 131 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | | | trans | 133.7 | 82.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 96 | G | 37.5 | Very low | 43.6 | Very low | 72 Ų | 72 | 133.2 Ų | 133.2 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | | | trans | 171.7 | 71.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | R98 | G96-R98 PolarHBondContact O-N 3.38Š|
| 97 | C | 46.9 | Very low | 43.4 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 90% | 0.899 | 82% | 0.819 | S | S | * | * | | | trans | -53.6 | 106.4 | 156.6 | -84.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 98 | R | 40.8 | Very low | 42.9 | Very low | 230 Ų | 230 | 139.6 Ų | 139.6 | 87% | 0.868 | 83% | 0.833 | S | S | * | * | | | trans | -120 | 113.3 | 147.7 | -89.8 | -176.1 | 161 | 178.7 | -5.8 | 105.7 | G96 L100 | G96-R98 PolarHBondContact O-N 3.38Å; R98-L100 VanDerWaalsContact C-N 3.27Å; R98-L100 PolarHBondContact O-N 3.26Å |
| 99 | D | 45.1 | Very low | 43 | Very low | 158 Ų | 158 | 143.9 Ų | 143.9 | 85% | 0.845 | 85% | 0.847 | S | S | * | * | | | trans | -48.1 | 90.7 | 166.3 | -67 | -80.8 | 0 | 0 | 0 | 110.2 | R101 | D99-R101 PolarHBondContact O-N 3.3Š|
| 100 | L | 43.8 | Very low | 43 | Very low | 156 Ų | 156 | 144.6 Ų | 144.6 | 82% | 0.817 | 85% | 0.847 | S | S | * | * | | | trans | -83.1 | 84.5 | 156.5 | -74.1 | 167.5 | 0 | 0 | 0 | 105.4 | R98 I102 | R98-L100 VanDerWaalsContact C-N 3.27Å; R98-L100 PolarHBondContact O-N 3.26Å; L100-I102 VanDerWaalsContact C-N 3.32Å; L100-I102 PolarHBondContact O-N 2.96Å |
| 101 | R | 41.4 | Very low | 42.8 | Very low | 226 Ų | 226 | 145.1 Ų | 145.1 | 85% | 0.853 | 84% | 0.843 | S | S | * | * | | | trans | -52.6 | 104.8 | 157 | -85.3 | -174 | 171.9 | 177.1 | -2.8 | 106.6 | D99 S103 | D99-R101 PolarHBondContact O-N 3.3Å; R101-S103 PolarHBondContact O-N 2.86Å |
| 102 | I | 43.3 | Very low | 42.8 | Very low | 158 Ų | 158 | 139.6 Ų | 139.6 | 81% | 0.81 | 84% | 0.84 | S | S | * | * | | | trans | -70 | 90.2 | 163.8 | -60.8 | 170.5 | 0 | 0 | 0 | 105 | L100 G104 | L100-I102 VanDerWaalsContact C-N 3.32Å; L100-I102 PolarHBondContact O-N 2.96Å; I102-G104 VanDerWaalsContact C-N 3.28Å; I102-G104 PolarHBondContact O-N 3.36Å |
| 103 | S | 47.8 | Very low | 42.3 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 84% | 0.839 | 84% | 0.843 | S | S | * | * | | | trans | -75.5 | 93.2 | 157.1 | -70.7 | 0 | 0 | 0 | 0 | 106.1 | R101 | R101-S103 PolarHBondContact O-N 2.86Š|
| 104 | G | 39.5 | Very low | 42.6 | Very low | 49 Ų | 49 | 145 Ų | 145 | 51% | 0.505 | 85% | 0.849 | S | S | . | * | | | trans | -152.1 | 96.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | I102 | I102-G104 VanDerWaalsContact C-N 3.28Å; I102-G104 PolarHBondContact O-N 3.36Å |
| 105 | L | 38.2 | Very low | 42 | Very low | 163 Ų | 163 | 146.4 Ų | 146.4 | 85% | 0.853 | 85% | 0.847 | S | S | * | * | | | trans | 80.1 | 106 | 153.1 | -86 | 83.9 | 0 | 0 | 0 | 121.2 | | |
| 106 | L | 42 | Very low | 41.8 | Very low | 166 Ų | 166 | 151.2 Ų | 151.2 | 87% | 0.869 | 85% | 0.845 | S | S | * | * | | | trans | 28.1 | 127.3 | 130.7 | -78.3 | 103.9 | 0 | 0 | 0 | 120.4 | | |
| 107 | A | 38.2 | Very low | 42.1 | Very low | 102 Ų | 102 | 157.8 Ų | 157.8 | 84% | 0.843 | 85% | 0.853 | S | S | * | * | | | | -136.4 | 133.3 | 127.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 108 | D | 38.4 | Very low | 41.7 | Very low | 232 Ų | 232 | 160 Ų | 160 | 100% | 1.241 | 85% | 0.849 | S | S | * | * | | | trans | -56.1 | 0 | 168.4 | -173.9 | -112.1 | 0 | 0 | 0 | 111.7 | | |