| 1 | M | 42.6 | Very low | 50.8 | Low | 244 Ų | 244 | 163.2 Ų | 163.2 | 100% | 1.202 | 81% | 0.806 | S | S | * | * | | | | 0 | 140.4 | 0 | -66.3 | 177 | -167.6 | 0 | 0 | 107.7 | | |
| 2 | S | 48.1 | Very low | 51.1 | Low | 102 Ų | 102 | 156.4 Ų | 156.4 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | | | trans | 63.7 | 63 | 176 | -70 | 0 | 0 | 0 | 0 | 118.9 | | |
| 3 | Q | 50.7 | Low | 51.3 | Low | 204 Ų | 204 | 160.2 Ų | 160.2 | 95% | 0.953 | 80% | 0.796 | S | S | * | * | | | trans | -91.3 | 43.7 | 145.5 | -75.2 | -87.2 | 13.4 | 0 | 0 | 109.2 | | |
| 4 | R | 54.6 | Low | 51.4 | Low | 210 Ų | 210 | 158.5 Ų | 158.5 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | | | trans | -143.4 | 128.8 | 178.6 | -68.2 | -176.7 | -177.6 | 153.1 | -0.7 | 104.9 | | |
| 5 | E | 57.2 | Low | 51.1 | Low | 173 Ų | 173 | 161.4 Ų | 161.4 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 74.6 | 110.5 | -168.5 | -62.6 | 169.6 | 74.3 | 0 | 0 | 112.2 | | |
| 6 | Q | 53.7 | Low | 51 | Low | 170 Ų | 170 | 160.3 Ų | 160.3 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | S | Bend | cis | -153.7 | 151.2 | 25.8 | -95 | 147.9 | -95.3 | 0 | 0 | 108.4 | | |
| 7 | Q | 42.3 | Very low | 50.8 | Low | 163 Ų | 163 | 161.5 Ų | 161.5 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | | | trans | 78.6 | 83.9 | -179.3 | -63 | -179 | -59.2 | 0 | 0 | 114.4 | K9 | Q7-K9 HydrophobicContact CB-CB 4.44Å; Q7-K9 VanDerWaalsContact CA-N 3.27Å; Q7-K9 HydrophobicContact CG-CB 4.24Å |
| 8 | D | 55.9 | Low | 50.9 | Low | 168 Ų | 168 | 158.2 Ų | 158.2 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | | | cis | 40.9 | 25.7 | 16.8 | -137.1 | -94.9 | 0 | 0 | 0 | 117 | | |
| 9 | K | 55.6 | Low | 50.8 | Low | 163 Ų | 163 | 156.6 Ų | 156.6 | 71% | 0.709 | 79% | 0.792 | S | S | * | * | | | trans | -138.9 | 91.5 | 162.5 | -76.5 | -172.3 | -173.9 | -98.6 | 0 | 109.2 | Q7 | Q7-K9 HydrophobicContact CB-CB 4.44Å; Q7-K9 VanDerWaalsContact CA-N 3.27Å; Q7-K9 HydrophobicContact CG-CB 4.24Å |
| 10 | V | 52.9 | Low | 50.8 | Low | 120 Ų | 120 | 152.8 Ų | 152.8 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | 67.9 | 97 | 153.5 | -90.5 | 0 | 0 | 0 | 0 | 119.6 | A12 | V10-A12 HydrophobicContact CB-CB 4.4Å; V10-A12 HydrophobicContact CG1-CB 4.08Å |
| 11 | P | 45.6 | Very low | 50.8 | Low | 78 Ų | 78 | 152 Ų | 152 | 51% | 0.506 | 78% | 0.783 | S | S | . | * | | | trans | -87.4 | 88 | 130.9 | 33 | -22 | 0 | 0 | 0 | 108.7 | Y13 | P11-Y13 HydrophobicContact CB-CD1 4.23Å; P11-Y13 HydrophobicContact CB-CD2 3.95Å; P11-Y13 HydrophobicContact CB-CE1 3.64Å; P11-Y13 HydrophobicContact CB-CE2 3.32Å; P11-Y13 HydrophobicContact CB-CG 4.38Å; P11-Y13 WeakPolarHBondContact CB-OH 3.33Å; P11-Y13 PolarHBondContact O-N 3.02Å |
| 12 | A | 54.6 | Low | 51 | Low | 82 Ų | 82 | 146.7 Ų | 146.7 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 26.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V10 | V10-A12 HydrophobicContact CB-CB 4.4Å; V10-A12 HydrophobicContact CG1-CB 4.08Å |
| 13 | Y | 53 | Low | 51 | Low | 205 Ų | 205 | 147.6 Ų | 147.6 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | 14.3 | 172.8 | 34.8 | -94.9 | 0 | 0 | 0 | 112.1 | P11 | P11-Y13 HydrophobicContact CB-CD1 4.23Å; P11-Y13 HydrophobicContact CB-CD2 3.95Å; P11-Y13 HydrophobicContact CB-CE1 3.64Å; P11-Y13 HydrophobicContact CB-CE2 3.32Å; P11-Y13 HydrophobicContact CB-CG 4.38Å; P11-Y13 WeakPolarHBondContact CB-OH 3.33Å; P11-Y13 PolarHBondContact O-N 3.02Å |
| 14 | L | 53.6 | Low | 51.1 | Low | 137 Ų | 137 | 146.5 Ų | 146.5 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | | | trans | -123.6 | 57.9 | 174.4 | -162.8 | 77.4 | 0 | 0 | 0 | 110.7 | | |
| 15 | K | 46.3 | Very low | 51 | Low | 202 Ų | 202 | 144.1 Ų | 144.1 | 88% | 0.878 | 76% | 0.761 | S | S | * | * | | | trans | -137.3 | 74.6 | 157.9 | -73.2 | -158.5 | 175.5 | -169 | 0 | 107.7 | E17 | K15-E17 PolarHBondContact O-N 3.46Š|
| 16 | D | 49.4 | Very low | 50.8 | Low | 144 Ų | 144 | 144.1 Ų | 144.1 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | trans | -35 | 129.9 | 159 | -66.9 | -95.3 | 0 | 0 | 0 | 111.6 | | |
| 17 | E | 48.3 | Very low | 50.6 | Low | 181 Ų | 181 | 141.1 Ų | 141.1 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | | | trans | -60.9 | 166.1 | 163.7 | -167.2 | 179.2 | 88.8 | 0 | 0 | 110.6 | K15 | K15-E17 PolarHBondContact O-N 3.46Š|
| 18 | P | 52.7 | Low | 51.3 | Low | 102 Ų | 102 | 137.4 Ų | 137.4 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | | | | -119.8 | 171 | -53.4 | 37.6 | -23.4 | 0 | 0 | 0 | 111.5 | | |
| 19 | P | 47.9 | Very low | 50.8 | Low | 128 Ų | 128 | 135.2 Ų | 135.2 | 83% | 0.831 | 75% | 0.748 | S | S | * | * | | | trans | -127.7 | 141.6 | 131.3 | 33.3 | -23.4 | 0 | 0 | 0 | 111.7 | | |
| 20 | A | 50.3 | Low | 50.4 | Low | 79 Ų | 79 | 135.5 Ų | 135.5 | 65% | 0.653 | 75% | 0.752 | S | S | * | * | | | trans | -50.7 | 165.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 21 | D | 51.3 | Low | 50.8 | Low | 138 Ų | 138 | 136.5 Ų | 136.5 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | trans | 84.6 | 85.4 | 165.6 | -52.7 | -57.6 | 0 | 0 | 0 | 117 | | |
| 22 | S | 46.4 | Very low | 51.3 | Low | 132 Ų | 132 | 135.1 Ų | 135.1 | 92% | 0.923 | 76% | 0.761 | S | S | * | * | | | trans | -134.1 | 70.8 | 143.2 | -76 | 0 | 0 | 0 | 0 | 109.4 | | |
| 23 | N | 48.8 | Very low | 51.2 | Low | 121 Ų | 121 | 139.9 Ų | 139.9 | 65% | 0.647 | 77% | 0.772 | S | S | * | * | | | trans | -47.5 | 141.4 | 151.7 | -125.7 | -96.3 | 0 | 0 | 0 | 110.1 | | |
| 24 | K | 53.6 | Low | 51.2 | Low | 180 Ų | 180 | 138.7 Ų | 138.7 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | | | trans | 81.6 | 84.1 | 152.2 | -57 | 165.3 | -174.7 | 169.7 | 0 | 117.9 | | |
| 25 | D | 51.6 | Low | 51.1 | Low | 160 Ų | 160 | 137.9 Ų | 137.9 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | | | trans | -138.7 | 63.3 | 141.8 | -146.4 | -81.3 | 0 | 0 | 0 | 110.1 | | |
| 26 | H | 53.2 | Low | 51.6 | Low | 173 Ų | 173 | 140.1 Ų | 140.1 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -122.1 | 115.3 | 157.7 | -149.4 | 92.4 | 0 | 0 | 0 | 106.4 | A28 | H26-A28 PolarHBondContact O-N 3.32Š|
| 27 | P | 49.9 | Very low | 51.9 | Low | 108 Ų | 108 | 139.5 Ų | 139.5 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | | | trans | -59.2 | 130.7 | -178.2 | 22.3 | -30.9 | 0 | 0 | 0 | 109.9 | | |
| 28 | A | 56.5 | Low | 52.2 | Low | 84 Ų | 84 | 137.3 Ų | 137.3 | 69% | 0.694 | 78% | 0.78 | S | S | * | * | | | trans | -66.3 | 137.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | H26 | H26-A28 PolarHBondContact O-N 3.32Š|
| 29 | P | 45.2 | Very low | 51.9 | Low | 122 Ų | 122 | 135.1 Ų | 135.1 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | | | trans | -94.9 | 109.3 | 136.5 | 28.1 | -17 | 0 | 0 | 0 | 107.5 | | |
| 30 | Q | 48.3 | Very low | 52.1 | Low | 169 Ų | 169 | 133.1 Ų | 133.1 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | | | trans | -54 | 133.7 | -178.2 | -58.2 | -179.6 | 17.1 | 0 | 0 | 110.9 | G32 | Q30-G32 PolarHBondContact O-N 2.86Š|
| 31 | P | 59.7 | Low | 52.4 | Low | 142 Ų | 142 | 136.7 Ų | 136.7 | 92% | 0.922 | 79% | 0.785 | S | S | * | * | | | trans | -71.2 | 83.5 | 171.5 | 29.1 | -31.3 | 0 | 0 | 0 | 108.8 | | |
| 32 | G | 55.9 | Low | 52.2 | Low | 48 Ų | 48 | 139.9 Ų | 139.9 | 50% | 0.495 | 79% | 0.793 | S | S | . | * | | | trans | -132.8 | 79.1 | -172 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q30 F34 | Q30-G32 PolarHBondContact O-N 2.86Å; G32-F34 PolarHBondContact O-N 3.41Å |
| 33 | M | 53.9 | Low | 52.5 | Low | 183 Ų | 183 | 138.8 Ų | 138.8 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 63.3 | -5.4 | 144.5 | -77.2 | 160.3 | 59.9 | 0 | 0 | 123.5 | | |
| 34 | F | 53.4 | Low | 52.7 | Low | 180 Ų | 180 | 139.2 Ų | 139.2 | 79% | 0.789 | 79% | 0.792 | S | S | * | * | | | trans | -112.8 | -12.6 | -175.1 | -78.7 | -79.9 | 0 | 0 | 0 | 118.8 | G32 R36 | G32-F34 PolarHBondContact O-N 3.41Å; F34-R36 PolarHBondContact O-N 3.2Å; F34-R36 VanDerWaalsContact O-N 3.12Å |
| 35 | S | 49.7 | Very low | 52.6 | Low | 119 Ų | 119 | 137.2 Ų | 137.2 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 33.9 | -176.9 | -161.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 36 | R | 58.7 | Low | 52.6 | Low | 250 Ų | 250 | 139.4 Ų | 139.4 | 94% | 0.943 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -0.4 | 169.2 | -89.9 | -172.9 | 175.8 | 171 | -0.3 | 113.9 | F34 | F34-R36 PolarHBondContact O-N 3.2Å; F34-R36 VanDerWaalsContact O-N 3.12Å |
| 37 | V | 54.9 | Low | 52.5 | Low | 130 Ų | 130 | 134.8 Ų | 134.8 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -127.7 | -21.9 | -171.8 | 172 | 0 | 0 | 0 | 0 | 115.9 | | |
| 38 | T | 54.9 | Low | 52.6 | Low | 135 Ų | 135 | 134.1 Ų | 134.1 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -111.4 | 87.6 | -174.6 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 39 | G | 45.6 | Very low | 52.4 | Low | 57 Ų | 57 | 137.1 Ų | 137.1 | 59% | 0.588 | 81% | 0.809 | S | S | * | * | | | trans | 144.7 | 40.7 | 159.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | L41 | G39-L41 PolarHBondContact O-N 3.02Š|
| 40 | G | 53.3 | Low | 52.8 | Low | 85 Ų | 85 | 134.8 Ų | 134.8 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | 46.8 | 171 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 41 | L | 56 | Low | 53.1 | Low | 154 Ų | 154 | 131.2 Ų | 131.2 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.9 | -10.8 | 175.3 | -165.8 | 54.1 | 0 | 0 | 0 | 115.4 | G39 S43 | G39-L41 PolarHBondContact O-N 3.02Å; L41-S43 VanDerWaalsContact C-N 3.33Å |
| 42 | F | 46.5 | Very low | 53 | Low | 206 Ų | 206 | 130.9 Ų | 130.9 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -96.8 | 20.6 | 174.3 | -111.6 | -90.3 | 0 | 0 | 0 | 113.6 | | |
| 43 | S | 53.2 | Low | 52.9 | Low | 109 Ų | 109 | 135.6 Ų | 135.6 | 76% | 0.762 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -104 | 20.8 | -171.4 | -165 | 0 | 0 | 0 | 0 | 114.9 | L41 | L41-S43 VanDerWaalsContact C-N 3.33Š|
| 44 | V | 52.3 | Low | 53 | Low | 129 Ų | 129 | 130.5 Ų | 130.5 | 78% | 0.782 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -126.7 | -25.5 | -178.8 | -161 | 0 | 0 | 0 | 0 | 114.2 | | |
| 45 | T | 51.6 | Low | 52.9 | Low | 139 Ų | 139 | 125.2 Ų | 125.2 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -99.5 | -6.3 | -167.6 | -43.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 46 | K | 52.6 | Low | 53.1 | Low | 206 Ų | 206 | 125.4 Ų | 125.4 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -117.8 | 14.6 | 176.7 | -128.3 | -177.8 | 177.8 | 175.1 | 0 | 115.2 | | |
| 47 | G | 50.2 | Low | 53 | Low | 76 Ų | 76 | 118.2 Ų | 118.2 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -92.6 | 19.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 48 | A | 52.4 | Low | 53.3 | Low | 94 Ų | 94 | 123.7 Ų | 123.7 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -129.2 | 12.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 49 | V | 52 | Low | 53.5 | Low | 147 Ų | 147 | 124.3 Ų | 124.3 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -130.4 | 88.4 | 170.1 | 178.5 | 0 | 0 | 0 | 0 | 107.1 | | |
| 50 | G | 53 | Low | 53.6 | Low | 73 Ų | 73 | 124.3 Ų | 124.3 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 163.3 | -4.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 51 | A | 55.4 | Low | 53.8 | Low | 94 Ų | 94 | 124.3 Ų | 124.3 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -111.8 | 10.1 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 52 | T | 56.7 | Low | 53.8 | Low | 135 Ų | 135 | 124.4 Ų | 124.4 | 83% | 0.828 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -120.9 | -3.2 | 178.9 | 46 | 0 | 0 | 0 | 0 | 115.3 | | |
| 53 | V | 55.4 | Low | 54 | Low | 147 Ų | 147 | 120.2 Ų | 120.2 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -119.8 | 49.1 | 173.4 | -166.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 54 | G | 55.9 | Low | 54 | Low | 76 Ų | 76 | 124.5 Ų | 124.5 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -163.7 | 15 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 55 | G | 51 | Low | 53.9 | Low | 68 Ų | 68 | 124.1 Ų | 124.1 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -128.1 | -2.1 | -168.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 56 | V | 52.5 | Low | 53.9 | Low | 123 Ų | 123 | 122.8 Ų | 122.8 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -139.8 | 23.8 | 179.5 | -155.7 | 0 | 0 | 0 | 0 | 113 | I59 | V56-I59 HydrophobicContact CG1-CD1 4.08Š|
| 57 | A | 57.2 | Low | 53.8 | Low | 99 Ų | 99 | 119.7 Ų | 119.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -93.6 | 0.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I59 | A57-I59 VanDerWaalsContact C-N 3.33Š|
| 58 | W | 61.1 | Low | 53.7 | Low | 246 Ų | 246 | 125.7 Ų | 125.7 | 93% | 0.932 | 78% | 0.784 | S | S | * | * | | | trans | -94.1 | 21.5 | 173 | -102.6 | 86.6 | 0 | 0 | 0 | 113.7 | G60 | W58-G60 PolarHBondContact O-N 2.94Š|
| 59 | I | 59.1 | Low | 53.5 | Low | 147 Ų | 147 | 123.9 Ų | 123.9 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | | | trans | -74.4 | 61.4 | 156.6 | -93.2 | 155.6 | 0 | 0 | 0 | 108.2 | V56 A57 | V56-I59 HydrophobicContact CG1-CD1 4.08Å; A57-I59 VanDerWaalsContact C-N 3.33Å |
| 60 | G | 49.1 | Very low | 53.5 | Low | 57 Ų | 57 | 121.2 Ų | 121.2 | 59% | 0.588 | 76% | 0.757 | S | S | * | * | | | trans | -90.3 | 112.9 | 168 | 0 | 0 | 0 | 0 | 0 | 109.4 | W58 K62 | W58-G60 PolarHBondContact O-N 2.94Å; G60-K62 PolarHBondContact O-N 3.08Å |
| 61 | G | 56.1 | Low | 53.2 | Low | 85 Ų | 85 | 124 Ų | 124 | 88% | 0.876 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 74.1 | 29.6 | 139.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 62 | K | 55.4 | Low | 52.8 | Low | 157 Ų | 157 | 123.1 Ų | 123.1 | 68% | 0.683 | 74% | 0.744 | S | S | * | * | | | trans | -132.8 | 36.5 | 171.9 | -145.8 | 166 | 179.8 | 169.3 | 0 | 115.1 | G60 F64 | G60-K62 PolarHBondContact O-N 3.08Å; K62-F64 VanDerWaalsContact C-N 3.32Å |
| 63 | S | 52.5 | Low | 52.4 | Low | 117 Ų | 117 | 121.8 Ų | 121.8 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 1.5 | 172.3 | -57.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 64 | F | 52.8 | Low | 52.1 | Low | 199 Ų | 199 | 121.6 Ų | 121.6 | 87% | 0.873 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -7.3 | 179.7 | -166.4 | -107.7 | 0 | 0 | 0 | 114.5 | K62 | K62-F64 VanDerWaalsContact C-N 3.32Š|
| 65 | D | 49.7 | Very low | 51.8 | Low | 122 Ų | 122 | 121.9 Ų | 121.9 | 65% | 0.652 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -134.5 | 28.9 | -172.1 | -151.3 | -117.3 | 0 | 0 | 0 | 114 | | |
| 66 | L | 52.4 | Low | 51.8 | Low | 110 Ų | 110 | 122.4 Ų | 122.4 | 58% | 0.576 | 73% | 0.731 | S | S | * | * | | | trans | -117.3 | 3.9 | 176 | -79.3 | 167.3 | 0 | 0 | 0 | 114 | K68 T69 | L66-K68 PolarHBondContact O-N 3.07Å; L66-T69 VanDerWaalsContact O-N 3.07Å; L66-T69 WeakPolarHBondContact CD2-OG1 3.46Å; L66-T69 HydrophobicContact CD2-CG2 4.32Å; L66-T69 PolarHBondContact O-N 3.24Å |
| 67 | T | 50.4 | Low | 51.4 | Low | 141 Ų | 141 | 121.8 Ų | 121.8 | 87% | 0.865 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -12.5 | 168.2 | -52.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 68 | K | 48.1 | Very low | 51 | Low | 202 Ų | 202 | 123.6 Ų | 123.6 | 88% | 0.878 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 6.2 | 169.3 | -94.5 | -148.9 | 178.1 | -176.5 | 0 | 115.2 | L66 A70 | L66-K68 PolarHBondContact O-N 3.07Å; K68-A70 VanDerWaalsContact C-N 3.27Å; K68-A70 PolarHBondContact O-N 2.85Å |
| 69 | T | 48 | Very low | 50.5 | Low | 56 Ų | 56 | 114.4 Ų | 114.4 | 34% | 0.344 | 71% | 0.713 | S | S | . | * | | | trans | -95 | 53.8 | 171.9 | -53.3 | 0 | 0 | 0 | 0 | 110.6 | L66 V71 T72 | L66-T69 VanDerWaalsContact O-N 3.07Å; L66-T69 WeakPolarHBondContact CD2-OG1 3.46Å; L66-T69 HydrophobicContact CD2-CG2 4.32Å; L66-T69 PolarHBondContact O-N 3.24Å; T69-V71 PolarHBondContact O-N 2.76Å; T69-V71 VanDerWaalsContact O-N 3.08Å; T69-T72 VanDerWaalsContact CG2-CB 3.44Å; T69-T72 WeakPolarHBondContact CG2-OG1 3.09Å |
| 70 | A | 52.1 | Low | 50.1 | Low | 91 Ų | 91 | 116.1 Ų | 116.1 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 4.6 | 164 | 0 | 0 | 0 | 0 | 0 | 112.6 | K68 | K68-A70 VanDerWaalsContact C-N 3.27Å; K68-A70 PolarHBondContact O-N 2.85Å |
| 71 | V | 45.8 | Very low | 50.3 | Low | 131 Ų | 131 | 116.4 Ų | 116.4 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.3 | 37.5 | -175.2 | -165.6 | 0 | 0 | 0 | 0 | 111.1 | T69 | T69-V71 PolarHBondContact O-N 2.76Å; T69-V71 VanDerWaalsContact O-N 3.08Å |
| 72 | T | 47.1 | Very low | 49.9 | Very low | 77 Ų | 77 | 119.6 Ų | 119.6 | 47% | 0.472 | 73% | 0.727 | S | S | . | * | | | trans | -137.4 | 3.2 | 167.7 | -53.5 | 0 | 0 | 0 | 0 | 113.6 | T69 V74 A75 | T69-T72 VanDerWaalsContact CG2-CB 3.44Å; T69-T72 WeakPolarHBondContact CG2-OG1 3.09Å; T72-V74 PolarHBondContact O-N 3Å; T72-A75 HydrophobicContact CG2-CB 4.05Å; T72-A75 PolarHBondContact O-N 3.01Å |
| 73 | S | 48.9 | Very low | 49.6 | Very low | 106 Ų | 106 | 115.2 Ų | 115.2 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 5.4 | 168 | -59.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 74 | V | 48.1 | Very low | 49.5 | Very low | 144 Ų | 144 | 117.5 Ų | 117.5 | 87% | 0.873 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -17.7 | 167.6 | 143.9 | 0 | 0 | 0 | 0 | 112.5 | T72 | T72-V74 PolarHBondContact O-N 3Š|
| 75 | A | 50 | Low | 49.6 | Very low | 82 Ų | 82 | 115.2 Ų | 115.2 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | -2.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | T72 | T72-A75 HydrophobicContact CG2-CB 4.05Å; T72-A75 PolarHBondContact O-N 3.01Å |
| 76 | A | 51.9 | Low | 49.9 | Very low | 78 Ų | 78 | 118.9 Ų | 118.9 | 65% | 0.645 | 74% | 0.741 | S | S | * | * | | | trans | -114.9 | 46.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | P78 | A76-P78 WeakPolarHBondContact O-CD 3.02Š|
| 77 | V | 43.8 | Very low | 49.9 | Very low | 111 Ų | 111 | 117.7 Ų | 117.7 | 67% | 0.673 | 75% | 0.754 | S | S | * | * | | | trans | -110.5 | 88.2 | 159.2 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | G79 | V77-G79 PolarHBondContact O-N 3.29Š|
| 78 | P | 49.6 | Very low | 49.9 | Very low | 136 Ų | 136 | 114.5 Ų | 114.5 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | | | trans | -73.7 | 86.9 | 157.5 | 1.3 | 16.7 | 0 | 0 | 0 | 106.7 | A76 | A76-P78 WeakPolarHBondContact O-CD 3.02Š|
| 79 | G | 50.3 | Low | 50 | Low | 53 Ų | 53 | 111.9 Ų | 111.9 | 55% | 0.546 | 75% | 0.75 | S | S | . | * | | | trans | -150.3 | 51.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112 | V77 G81 | V77-G79 PolarHBondContact O-N 3.29Å; G79-G81 PolarHBondContact O-N 3.12Å |
| 80 | I | 49.9 | Very low | 49.8 | Very low | 183 Ų | 183 | 115.2 Ų | 115.2 | 94% | 0.938 | 78% | 0.775 | S | S | * | * | | | trans | -77.2 | 99.1 | 160 | -62.1 | -167.2 | 0 | 0 | 0 | 107.4 | | |
| 81 | G | 53.3 | Low | 50.1 | Low | 64 Ų | 64 | 115.9 Ų | 115.9 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | | | trans | 95.4 | 95.9 | 146.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | G79 | G79-G81 PolarHBondContact O-N 3.12Š|
| 82 | V | 48.5 | Very low | 50.3 | Low | 151 Ų | 151 | 116.5 Ų | 116.5 | 92% | 0.915 | 78% | 0.783 | S | S | * | * | | | | -166.8 | 122.7 | 118.8 | 166.6 | 0 | 0 | 0 | 0 | 107.2 | | |
| 83 | G | 47.5 | Very low | 50.8 | Low | 65 Ų | 65 | 117.4 Ų | 117.4 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | | | trans | 52.3 | 116.2 | 155.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 84 | L | 50.1 | Low | 50.6 | Low | 165 Ų | 165 | 116.4 Ų | 116.4 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | | | | -162.4 | 128.3 | 55.8 | -76.9 | 157 | 0 | 0 | 0 | 107.4 | K86 | L84-K86 PolarHBondContact O-N 2.96Š|
| 85 | V | 55.1 | Low | 50.4 | Low | 151 Ų | 151 | 112.9 Ų | 112.9 | 92% | 0.915 | 80% | 0.798 | S | S | * | * | | | trans | -48.9 | 103.1 | 162.1 | -72.6 | 0 | 0 | 0 | 0 | 110 | | |
| 86 | K | 56.3 | Low | 50.2 | Low | 200 Ų | 200 | 115.5 Ų | 115.5 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | | | trans | -148.2 | 72.5 | 160.5 | -165.9 | 142.1 | -176.9 | 176.5 | 0 | 110.6 | L84 | L84-K86 PolarHBondContact O-N 2.96Š|
| 87 | G | 53.8 | Low | 49.9 | Very low | 84 Ų | 84 | 117.7 Ų | 117.7 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | S | Bend | trans | 79.4 | 112.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 88 | G | 49.4 | Very low | 50.2 | Low | 74 Ų | 74 | 117.4 Ų | 117.4 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | | | trans | 148.9 | 93.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | C90 | G88-C90 PolarHBondContact O-N 3.39Š|
| 89 | V | 50.3 | Low | 50.1 | Low | 147 Ų | 147 | 118 Ų | 118 | 89% | 0.891 | 83% | 0.826 | S | S | * | * | | | trans | -52.1 | 126 | 162.2 | 166 | 0 | 0 | 0 | 0 | 109.5 | | |
| 90 | C | 44.9 | Very low | 49.7 | Very low | 127 Ų | 127 | 118.6 Ų | 118.6 | 86% | 0.858 | 83% | 0.832 | S | S | * | * | | | trans | -148.9 | 120 | 157.2 | -100.8 | 0 | 0 | 0 | 0 | 109.2 | G88 | G88-C90 PolarHBondContact O-N 3.39Š|
| 91 | A | 57 | Low | 49.4 | Very low | 104 Ų | 104 | 115.9 Ų | 115.9 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | | | trans | -68.7 | 128.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 92 | V | 49.8 | Very low | 49.2 | Very low | 144 Ų | 144 | 117 Ų | 117 | 87% | 0.873 | 83% | 0.832 | S | S | * | * | | | trans | -111 | 107.5 | 156.2 | 64 | 0 | 0 | 0 | 0 | 107.5 | | |
| 93 | A | 58.2 | Low | 48.9 | Very low | 97 Ų | 97 | 116.5 Ų | 116.5 | 80% | 0.802 | 83% | 0.83 | S | S | * | * | | | trans | -75.5 | 150.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 94 | G | 44.1 | Very low | 48.9 | Very low | 84 Ų | 84 | 118.1 Ų | 118.1 | 87% | 0.866 | 84% | 0.837 | S | S | * | * | | | trans | 113.3 | 117.2 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 95 | G | 43.9 | Very low | 48.5 | Very low | 70 Ų | 70 | 115.4 Ų | 115.4 | 72% | 0.722 | 83% | 0.831 | S | S | * | * | | | cis | 158.7 | 118.2 | 11.8 | 0 | 0 | 0 | 0 | 0 | 105.8 | | |
| 96 | V | 45.6 | Very low | 48 | Very low | 138 Ų | 138 | 117.4 Ų | 117.4 | 84% | 0.836 | 83% | 0.828 | S | S | * | * | | | trans | 41.3 | 99.8 | 153.9 | -171.8 | 0 | 0 | 0 | 0 | 117.9 | | |
| 97 | S | 45.9 | Very low | 47.3 | Very low | 124 Ų | 124 | 113.7 Ų | 113.7 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | | | trans | -169.4 | 92.5 | 134.5 | -89.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 98 | A | 51 | Low | 47 | Very low | 104 Ų | 104 | 115.1 Ų | 115.1 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | | | trans | -178.3 | 60.2 | 145.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 99 | V | 46.7 | Very low | 47.2 | Very low | 149 Ų | 149 | 119.5 Ų | 119.5 | 90% | 0.903 | 82% | 0.819 | S | S | * | * | | | trans | -75.7 | 117.4 | 157.2 | 56.4 | 0 | 0 | 0 | 0 | 106.4 | | |
| 100 | G | 42.6 | Very low | 47.4 | Very low | 66 Ų | 66 | 115.6 Ų | 115.6 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | | | trans | 145.3 | 88.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 101 | S | 43.4 | Very low | 47.7 | Very low | 125 Ų | 125 | 113.8 Ų | 113.8 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | | | trans | 95 | 129 | 132.9 | -137.2 | 0 | 0 | 0 | 0 | 119.9 | | |
| 102 | A | 48.4 | Very low | 47.3 | Very low | 88 Ų | 88 | 112.3 Ų | 112.3 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | 74.4 | 98.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 103 | V | 42.6 | Very low | 47.4 | Very low | 141 Ų | 141 | 115.8 Ų | 115.8 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | | | | -165.5 | 116.5 | 93.4 | -86.2 | 0 | 0 | 0 | 0 | 110.2 | S105 | V103-S105 PolarHBondContact O-N 3.41Š|
| 104 | A | 47.2 | Very low | 47 | Very low | 99 Ų | 99 | 120.8 Ų | 120.8 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | trans | -56.9 | 125.5 | 150 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 105 | S | 41.7 | Very low | 47.3 | Very low | 107 Ų | 107 | 125.9 Ų | 125.9 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | | | | 177.5 | 128.5 | 120.2 | 58.4 | 0 | 0 | 0 | 0 | 111.1 | V103 | V103-S105 PolarHBondContact O-N 3.41Š|
| 106 | K | 45.8 | Very low | 47.6 | Very low | 194 Ų | 194 | 129.7 Ų | 129.7 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | | | trans | 61.6 | 79.5 | 151.5 | -69.3 | -82.2 | -169.5 | 167.9 | 0 | 117.3 | P108 | K106-P108 WeakPolarHBondContact O-CD 3.38Š|
| 107 | V | 41.2 | Very low | 47.6 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | | | trans | -62.8 | 119.4 | 140.3 | 168.7 | 0 | 0 | 0 | 0 | 107.7 | I109 | V107-I109 VanDerWaalsContact C-N 3.27Å; V107-I109 HydrophobicContact CG1-CG1 3.86Å; V107-I109 PolarHBondContact O-N 3.02Å |
| 108 | P | 46.5 | Very low | 47.7 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | | | trans | -74.4 | 92.3 | 160.6 | 6.6 | 10.6 | 0 | 0 | 0 | 107 | K106 G110 | K106-P108 WeakPolarHBondContact O-CD 3.38Å; P108-G110 VanDerWaalsContact C-N 3.31Å; P108-G110 PolarHBondContact O-N 3.15Å; P108-G110 VanDerWaalsContact O-N 3.15Å |
| 109 | I | 55.2 | Low | 47.2 | Very low | 165 Ų | 165 | 138 Ų | 138 | 85% | 0.846 | 83% | 0.831 | S | S | * | * | | | trans | -62.9 | 103 | 147.7 | -62.8 | -170.7 | 0 | 0 | 0 | 104.7 | V107 | V107-I109 VanDerWaalsContact C-N 3.27Å; V107-I109 HydrophobicContact CG1-CG1 3.86Å; V107-I109 PolarHBondContact O-N 3.02Å |
| 110 | G | 52.8 | Low | 47.2 | Very low | 66 Ų | 66 | 137.4 Ų | 137.4 | 68% | 0.68 | 83% | 0.827 | S | S | * | * | | | trans | 147.1 | 120.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | P108 | P108-G110 VanDerWaalsContact C-N 3.31Å; P108-G110 PolarHBondContact O-N 3.15Å; P108-G110 VanDerWaalsContact O-N 3.15Å |
| 111 | G | 52.8 | Low | 47.4 | Very low | 89 Ų | 89 | 141.2 Ų | 141.2 | 92% | 0.918 | 84% | 0.835 | S | S | * | * | | | trans | 105.1 | 82.2 | 153 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 112 | G | 48.4 | Very low | 47.6 | Very low | 73 Ų | 73 | 142.1 Ų | 142.1 | 75% | 0.753 | 83% | 0.833 | S | S | * | * | | | trans | 179.3 | 49 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K114 | G112-K114 PolarHBondContact O-N 3.18Š|
| 113 | K | 51 | Low | 47.6 | Very low | 217 Ų | 217 | 145.2 Ų | 145.2 | 94% | 0.943 | 84% | 0.839 | S | S | * | * | | | trans | -51.4 | 122.2 | 172.6 | -98.5 | -167.5 | 177.6 | -156.3 | 0 | 109.2 | K115 | K113-K115 PolarHBondContact O-N 3.27Š|
| 114 | K | 50.8 | Low | 47.9 | Very low | 201 Ų | 201 | 145.5 Ų | 145.5 | 87% | 0.874 | 84% | 0.838 | S | S | * | * | | | trans | -64.3 | 111.7 | 178.7 | -171.4 | 177.5 | -179.9 | -175.3 | 0 | 110.5 | G112 | G112-K114 PolarHBondContact O-N 3.18Š|
| 115 | K | 49.9 | Very low | 48 | Very low | 192 Ų | 192 | 148.6 Ų | 148.6 | 84% | 0.835 | 84% | 0.84 | S | S | * | * | | | trans | 34.4 | 108.2 | 139.7 | -160.2 | 168.3 | -176.6 | 173.8 | 0 | 118.1 | K113 | K113-K115 PolarHBondContact O-N 3.27Š|
| 116 | D | 50.8 | Low | 48.4 | Very low | 150 Ų | 150 | 151.6 Ų | 151.6 | 80% | 0.802 | 85% | 0.846 | S | S | * | * | | | trans | -35.9 | 133.3 | 158.1 | -153.7 | -89.9 | 0 | 0 | 0 | 115.4 | | |
| 117 | K | 44.5 | Very low | 48.6 | Very low | 188 Ų | 188 | 148.3 Ų | 148.3 | 82% | 0.817 | 85% | 0.846 | S | S | * | * | | | trans | -176.1 | 127.1 | 140.8 | -110.8 | 175.9 | -177.6 | 176.2 | 0 | 112.9 | | |
| 118 | S | 47.5 | Very low | 49.2 | Very low | 108 Ų | 108 | 150.6 Ų | 150.6 | 76% | 0.755 | 86% | 0.856 | S | S | * | * | | | trans | 90.6 | 106 | 147.1 | -60.5 | 0 | 0 | 0 | 0 | 119 | | |
| 119 | D | 40.2 | Very low | 49.5 | Very low | 243 Ų | 243 | 153.8 Ų | 153.8 | 100% | 1.299 | 87% | 0.866 | S | S | * | * | | | trans | 52.2 | 0 | 146.3 | -144.8 | -119.2 | 0 | 0 | 0 | 119.4 | | |