| 1 | M | 32 | Very low | 45.8 | Very low | 201 Ų | 201 | 167.6 Ų | 167.6 | 99% | 0.99 | 85% | 0.852 | S | S | * | * | | | | 0 | 67.3 | 0 | -77.5 | -83.4 | 175 | 0 | 0 | 110.3 | Y3 | M1-Y3 HydrophobicContact SD-CE2 3.76Š|
| 2 | C | 44.4 | Very low | 45.8 | Very low | 138 Ų | 138 | 159.1 Ų | 159.1 | 93% | 0.932 | 84% | 0.837 | S | S | * | * | | | trans | -149.8 | 86.4 | 162.9 | -76.7 | 0 | 0 | 0 | 0 | 106.8 | | |
| 3 | Y | 37.3 | Very low | 45.7 | Very low | 173 Ų | 173 | 163.7 Ų | 163.7 | 68% | 0.678 | 84% | 0.838 | S | S | * | * | | | trans | -82.9 | 150.2 | 178.8 | -62.3 | -104.2 | 0 | 0 | 0 | 108.9 | M1 | M1-Y3 HydrophobicContact SD-CE2 3.76Š|
| 4 | Y | 43.1 | Very low | 45.4 | Very low | 218 Ų | 218 | 158.1 Ų | 158.1 | 86% | 0.855 | 84% | 0.841 | S | S | * | * | | | trans | 71.9 | 82.4 | 167.5 | -57.3 | -87.6 | 0 | 0 | 0 | 118 | | |
| 5 | R | 54.2 | Low | 45.4 | Very low | 259 Ų | 259 | 162.6 Ų | 162.6 | 98% | 0.977 | 84% | 0.844 | S | S | * | * | | | trans | -137.8 | 100.5 | 147.4 | -82.4 | -164.4 | -176.6 | -161.3 | 1.5 | 111.7 | | |
| 6 | G | 52.7 | Low | 45.4 | Very low | 67 Ų | 67 | 157.2 Ų | 157.2 | 69% | 0.691 | 84% | 0.84 | S | S | * | * | | | trans | 102.2 | 49.9 | 132.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | Y8 | G6-Y8 PolarHBondContact O-N 3.22Å; G6-Y8 VanDerWaalsContact O-N 3.1Å |
| 7 | Y | 46 | Very low | 45.4 | Very low | 234 Ų | 234 | 151.6 Ų | 151.6 | 92% | 0.918 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -74 | 36.2 | 157.4 | -108.3 | -91.9 | 0 | 0 | 0 | 112.2 | | |
| 8 | Y | 48.4 | Very low | 45.6 | Very low | 223 Ų | 223 | 153.7 Ų | 153.7 | 88% | 0.875 | 84% | 0.838 | S | S | * | * | | | trans | -144.8 | 129.9 | -172.6 | -83.1 | -89.1 | 0 | 0 | 0 | 111.7 | G6 | G6-Y8 PolarHBondContact O-N 3.22Å; G6-Y8 VanDerWaalsContact O-N 3.1Å |
| 9 | G | 50.2 | Low | 45.5 | Very low | 75 Ų | 75 | 148.9 Ų | 148.9 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | | | trans | 92.7 | 84.1 | 159.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 10 | G | 50.7 | Low | 45.4 | Very low | 67 Ų | 67 | 153.5 Ų | 153.5 | 69% | 0.691 | 83% | 0.833 | S | S | * | * | | | cis | 64 | 104.7 | 40.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 11 | L | 45.4 | Very low | 45.4 | Very low | 189 Ų | 189 | 149.5 Ų | 149.5 | 99% | 0.99 | 83% | 0.828 | S | S | * | * | | | trans | 72.2 | 90.2 | 160.6 | -54.4 | 157.9 | 0 | 0 | 0 | 115.5 | | |
| 12 | G | 45.8 | Very low | 45.9 | Very low | 65 Ų | 65 | 151.3 Ų | 151.3 | 67% | 0.67 | 83% | 0.825 | S | S | * | * | | | trans | 177 | 103.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 13 | Y | 43.9 | Very low | 45.9 | Very low | 219 Ų | 219 | 148.2 Ų | 148.2 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | | | trans | 69.7 | 73.4 | 149.2 | -61.7 | -87.7 | 0 | 0 | 0 | 118.5 | | |
| 14 | G | 41.5 | Very low | 46.1 | Very low | 85 Ų | 85 | 146.8 Ų | 146.8 | 88% | 0.876 | 83% | 0.83 | S | S | * | * | | | trans | -90.4 | 87.9 | 158 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 15 | Y | 45 | Very low | 46.3 | Very low | 226 Ų | 226 | 139.7 Ų | 139.7 | 89% | 0.886 | 82% | 0.823 | S | S | * | * | | | trans | -109.8 | 125.5 | 169.1 | -108.3 | -93.5 | 0 | 0 | 0 | 108.8 | | |
| 16 | G | 45.9 | Very low | 45.8 | Very low | 76 Ų | 76 | 138.7 Ų | 138.7 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | | | trans | 101.3 | 88 | 178 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 17 | G | 44.5 | Very low | 45.3 | Very low | 63 Ų | 63 | 139.5 Ų | 139.5 | 65% | 0.649 | 83% | 0.829 | S | S | * | * | | | cis | 87.3 | 125.5 | 47.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 18 | L | 49.3 | Very low | 45.1 | Very low | 189 Ų | 189 | 132.8 Ų | 132.8 | 99% | 0.99 | 82% | 0.816 | S | S | * | * | | | trans | 79.4 | 109.2 | -177.9 | -44.4 | 153.3 | 0 | 0 | 0 | 111.1 | | |
| 19 | G | 44.5 | Very low | 45 | Very low | 62 Ų | 62 | 126 Ų | 126 | 64% | 0.639 | 81% | 0.813 | S | S | * | * | | | cis | 130.4 | 133 | 35.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 20 | Y | 43.5 | Very low | 44.7 | Very low | 241 Ų | 241 | 133 Ų | 133 | 95% | 0.945 | 82% | 0.818 | S | S | * | * | | | trans | 65.6 | 112.9 | 158.9 | -65.6 | -89 | 0 | 0 | 0 | 118.9 | | |
| 21 | G | 45.3 | Very low | 44.4 | Very low | 69 Ų | 69 | 133.3 Ų | 133.3 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | | | | 108.4 | 97 | 123.3 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 22 | Y | 42 | Very low | 44.6 | Very low | 240 Ų | 240 | 129.1 Ų | 129.1 | 94% | 0.941 | 81% | 0.807 | S | S | * | * | | | | 36.1 | 103.6 | 127.5 | -87.1 | -98.2 | 0 | 0 | 0 | 117.6 | | |
| 23 | G | 44.1 | Very low | 44.5 | Very low | 72 Ų | 72 | 129.2 Ų | 129.2 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | | | | 80.8 | 134.1 | 115 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 24 | C | 43.2 | Very low | 44.6 | Very low | 143 Ų | 143 | 129.2 Ų | 129.2 | 97% | 0.966 | 81% | 0.807 | S | S | * | * | | | trans | 82.1 | 108.2 | 164.1 | -155.1 | 0 | 0 | 0 | 0 | 115.9 | | |
| 25 | G | 46.8 | Very low | 44.7 | Very low | 69 Ų | 69 | 128.7 Ų | 128.7 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | | | trans | 155.8 | 71.9 | 156.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | G27 | G25-G27 PolarHBondContact O-N 2.78Š|
| 26 | Y | 42.4 | Very low | 44.8 | Very low | 239 Ų | 239 | 120.4 Ų | 120.4 | 94% | 0.937 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -48.4 | 126.5 | 156.4 | -78.8 | -105.2 | 0 | 0 | 0 | 109.8 | C28 | Y26-C28 PolarHBondContact O-N 2.77Š|
| 27 | G | 42.4 | Very low | 44.5 | Very low | 84 Ų | 84 | 127.8 Ų | 127.8 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 55.7 | 64.2 | 145.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | G25 | G25-G27 PolarHBondContact O-N 2.78Š|
| 28 | C | 42.4 | Very low | 44.5 | Very low | 93 Ų | 93 | 128.6 Ų | 128.6 | 63% | 0.628 | 80% | 0.8 | S | S | * | * | | | trans | -150.4 | 48.5 | 153.1 | -157.1 | 0 | 0 | 0 | 0 | 110 | Y26 Y30 | Y26-C28 PolarHBondContact O-N 2.77Å; C28-Y30 VanDerWaalsContact C-N 3.25Å; C28-Y30 PolarHBondContact O-N 3.46Å |
| 29 | G | 46.8 | Very low | 44.5 | Very low | 80 Ų | 80 | 122.7 Ų | 122.7 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | trans | -89.7 | 48.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | G31 | G29-G31 PolarHBondContact O-N 2.87Š|
| 30 | Y | 44.1 | Very low | 44.4 | Very low | 221 Ų | 221 | 131.2 Ų | 131.2 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | | | trans | -68.8 | 96.9 | 156.6 | -89.1 | -88.5 | 0 | 0 | 0 | 105.1 | C28 C32 | C28-Y30 VanDerWaalsContact C-N 3.25Å; C28-Y30 PolarHBondContact O-N 3.46Å; Y30-C32 PolarHBondContact O-N 3.32Å |
| 31 | G | 44.6 | Very low | 44.6 | Very low | 74 Ų | 74 | 123 Ų | 123 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | | | trans | -56.1 | 85.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | G29 G33 | G29-G31 PolarHBondContact O-N 2.87Å; G31-G33 PolarHBondContact O-N 3.49Å |
| 32 | C | 48.4 | Very low | 44.5 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 69% | 0.689 | 80% | 0.799 | S | S | * | * | | | trans | -71 | 65.8 | 159 | -164.8 | 0 | 0 | 0 | 0 | 106.1 | Y30 | Y30-C32 PolarHBondContact O-N 3.32Š|
| 33 | G | 44.5 | Very low | 44.7 | Very low | 66 Ų | 66 | 122.6 Ų | 122.6 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | | | trans | -115.6 | 59 | 177.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | G31 G35 | G31-G33 PolarHBondContact O-N 3.49Å; G33-G35 PolarHBondContact O-N 3.27Å |
| 34 | Y | 45.1 | Very low | 44.9 | Very low | 219 Ų | 219 | 124.4 Ų | 124.4 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | | | trans | -75.3 | 88.5 | 159.8 | -72.1 | -83.4 | 0 | 0 | 0 | 106.6 | G36 | Y34-G36 PolarHBondContact O-N 3.29Š|
| 35 | G | 43.7 | Very low | 45.4 | Very low | 74 Ų | 74 | 122.6 Ų | 122.6 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | | | trans | -63.2 | 74.9 | 154.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | G33 | G33-G35 PolarHBondContact O-N 3.27Š|
| 36 | G | 47.9 | Very low | 45.6 | Very low | 53 Ų | 53 | 129.3 Ų | 129.3 | 55% | 0.546 | 78% | 0.775 | S | S | . | * | | | trans | -124 | 105.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | Y34 G38 | Y34-G36 PolarHBondContact O-N 3.29Å; G36-G38 PolarHBondContact O-N 2.81Å |
| 37 | Y | 39.7 | Very low | 45.9 | Very low | 231 Ų | 231 | 120.9 Ų | 120.9 | 91% | 0.906 | 75% | 0.749 | S | S | * | * | | | trans | -54.3 | 119.5 | 172.5 | -42.4 | -93 | 0 | 0 | 0 | 109.5 | | |
| 38 | G | 44.8 | Very low | 46.4 | Very low | 79 Ų | 79 | 123.2 Ų | 123.2 | 81% | 0.814 | 74% | 0.741 | S | S | * | * | | | trans | 99.4 | 131.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G36 | G36-G38 PolarHBondContact O-N 2.81Š|
| 39 | G | 48.5 | Very low | 47 | Very low | 66 Ų | 66 | 123 Ų | 123 | 68% | 0.68 | 74% | 0.74 | S | S | * | * | | | trans | 113.1 | 89.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G41 | G39-G41 PolarHBondContact O-N 2.84Š|
| 40 | Y | 42.7 | Very low | 47.3 | Very low | 241 Ų | 241 | 123.5 Ų | 123.5 | 95% | 0.945 | 73% | 0.73 | S | S | * | * | | | trans | -5.6 | 88.5 | 139.8 | -63.1 | -90.2 | 0 | 0 | 0 | 114.1 | | |
| 41 | G | 46.8 | Very low | 47.8 | Very low | 67 Ų | 67 | 121.5 Ų | 121.5 | 69% | 0.691 | 72% | 0.72 | S | S | * | * | | | trans | -123.5 | 101.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | G39 G43 | G39-G41 PolarHBondContact O-N 2.84Å; G41-G43 PolarHBondContact O-N 2.7Å |
| 42 | Y | 43.1 | Very low | 48.3 | Very low | 242 Ų | 242 | 128.7 Ų | 128.7 | 95% | 0.949 | 72% | 0.724 | S | S | * | * | | | trans | -64.2 | 76.2 | 164.8 | -77.8 | -99.8 | 0 | 0 | 0 | 108.9 | | |
| 43 | G | 47.6 | Very low | 48.5 | Very low | 59 Ų | 59 | 132.6 Ų | 132.6 | 61% | 0.608 | 73% | 0.726 | S | S | * | * | | | trans | -104 | 82.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | G41 C45 | G41-G43 PolarHBondContact O-N 2.7Å; G43-C45 PolarHBondContact O-N 2.99Å |
| 44 | C | 46.4 | Very low | 48.9 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | | | trans | -59 | 76.6 | 174.9 | -174.2 | 0 | 0 | 0 | 0 | 112 | R46 | C44-R46 VanDerWaalsContact C-N 3.28Å; C44-R46 PolarHBondContact O-N 3.04Å |
| 45 | C | 55.5 | Low | 49 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 72% | 0.716 | 73% | 0.729 | S | S | * | * | | | trans | -88.7 | 21.6 | 173.7 | -73.1 | 0 | 0 | 0 | 0 | 113 | G43 | G43-C45 PolarHBondContact O-N 2.99Š|
| 46 | R | 50.1 | Low | 48.9 | Very low | 210 Ų | 210 | 139 Ų | 139 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | | | trans | -163.9 | 92.1 | -177.5 | -147.1 | 145.2 | 173.2 | 90 | -2.7 | 113.8 | C44 | C44-R46 VanDerWaalsContact C-N 3.28Å; C44-R46 PolarHBondContact O-N 3.04Å |
| 47 | P | 49.7 | Very low | 48.5 | Very low | 61 Ų | 61 | 151 Ų | 151 | 40% | 0.396 | 77% | 0.767 | S | S | . | * | S | Bend | | -152.3 | 3.8 | 117 | 35.3 | -16.8 | 0 | 0 | 0 | 116.3 | R51 | P47-R51 PolarHBondContact O-NE 3.1Š|
| 48 | L | 52.4 | Low | 49 | Very low | 134 Ų | 134 | 147 Ų | 147 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -104.2 | -23.3 | -167.3 | -73.6 | 164.5 | 0 | 0 | 0 | 115.5 | | |
| 49 | C | 54 | Low | 49.2 | Very low | 88 Ų | 88 | 150.6 Ų | 150.6 | 60% | 0.595 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -73.2 | -29.8 | -175.2 | -165.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 50 | C | 54.5 | Low | 49.2 | Very low | 91 Ų | 91 | 155.3 Ų | 155.3 | 62% | 0.615 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -93.6 | -12.2 | 179.4 | -59 | 0 | 0 | 0 | 0 | 114.5 | R52 | C50-R52 VanDerWaalsContact C-N 3.34Š|
| 51 | R | 54.2 | Low | 49.6 | Very low | 179 Ų | 179 | 150.2 Ų | 150.2 | 68% | 0.675 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -7.4 | 180 | -90.7 | -163.9 | -84.1 | -174.5 | -5.3 | 114.4 | P47 | P47-R51 PolarHBondContact O-NE 3.1Š|
| 52 | R | 53.9 | Low | 49.8 | Very low | 224 Ų | 224 | 155.4 Ų | 155.4 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -2.7 | -177.6 | -139.3 | 175.7 | 94.8 | 167.4 | 6.5 | 114.7 | C50 | C50-R52 VanDerWaalsContact C-N 3.34Š|
| 53 | Y | 52.6 | Low | 50.3 | Low | 184 Ų | 184 | 149.7 Ų | 149.7 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -108.3 | 1.6 | -174.3 | -81.2 | -85.3 | 0 | 0 | 0 | 114.9 | | |
| 54 | Y | 53.1 | Low | 50.4 | Low | 213 Ų | 213 | 156.1 Ų | 156.1 | 84% | 0.835 | 75% | 0.751 | S | S | * | * | | | trans | -142.9 | 96.3 | 172.8 | -68.3 | -81.7 | 0 | 0 | 0 | 110.5 | | |
| 55 | G | 48.2 | Very low | 50.8 | Low | 75 Ų | 75 | 159.7 Ų | 159.7 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | | | trans | -159.8 | 45.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 56 | F | 40.1 | Very low | 50.4 | Low | 206 Ų | 206 | 164.2 Ų | 164.2 | 90% | 0.904 | 75% | 0.754 | S | S | * | * | | | trans | -108.3 | 79.3 | 168.9 | -76.1 | -87.1 | 0 | 0 | 0 | 108 | | |
| 57 | Y | 41.5 | Very low | 50.4 | Low | 305 Ų | 305 | 160 Ų | 160 | 100% | 1.196 | 75% | 0.751 | S | S | * | * | | | trans | -171.2 | 0 | 144.6 | -135.8 | -92.2 | 0 | 0 | 0 | 109.1 | | |