| 1 | M | 54.7 | Low | 58.5 | Low | 244 Ų | 244 | 151.6 Ų | 151.6 | 100% | 1.202 | 82% | 0.817 | S | S | * | * | | | | 0 | 113.6 | 0 | -73.3 | 172.4 | 168.9 | 0 | 0 | 105.8 | | |
| 2 | E | 54.5 | Low | 58.8 | Low | 182 Ų | 182 | 149.3 Ų | 149.3 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | | | trans | -69.8 | 136.7 | -176.8 | 174.2 | 169.3 | 74.4 | 0 | 0 | 110.1 | D4 | E2-D4 PolarHBondContact O-N 3.29Š|
| 3 | S | 60.2 | Low | 58.9 | Low | 99 Ų | 99 | 149.6 Ų | 149.6 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | | | trans | -83.4 | 99.2 | 178.4 | -61.5 | 0 | 0 | 0 | 0 | 109.2 | H5 | S3-H5 PolarHBondContact O-N 3Š|
| 4 | D | 67.8 | Low | 58.9 | Low | 148 Ų | 148 | 145.5 Ų | 145.5 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | trans | -65.5 | 123.6 | 176.7 | -130.9 | -78.8 | 0 | 0 | 0 | 110.8 | E2 G6 | E2-D4 PolarHBondContact O-N 3.29Å; D4-G6 PolarHBondContact O-N 3.14Å |
| 5 | H | 56.1 | Low | 58.5 | Low | 163 Ų | 163 | 144.2 Ų | 144.2 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | | | trans | -86.3 | 98 | 178.6 | -67.5 | -25.1 | 0 | 0 | 0 | 110.4 | S3 | S3-H5 PolarHBondContact O-N 3Š|
| 6 | G | 60.8 | Low | 57.5 | Low | 78 Ų | 78 | 139.3 Ų | 139.3 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -104 | 95.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D4 | D4-G6 PolarHBondContact O-N 3.14Š|
| 7 | N | 53.8 | Low | 56.6 | Low | 144 Ų | 144 | 134.6 Ų | 134.6 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | | | trans | -69.8 | 147 | 180 | -72.8 | -30.4 | 0 | 0 | 0 | 113.6 | | |
| 8 | V | 53 | Low | 56.1 | Low | 127 Ų | 127 | 136.6 Ų | 136.6 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | trans | 74.4 | 106.8 | 148.6 | -179.9 | 0 | 0 | 0 | 0 | 117.6 | V10 | V8-V10 HydrophobicContact CG1-CG2 4.44Š|
| 9 | R | 66 | Low | 55.9 | Low | 252 Ų | 252 | 137.5 Ų | 137.5 | 95% | 0.951 | 79% | 0.788 | S | S | * | * | | | trans | -114.6 | 113.5 | 145.6 | -115.9 | -175.2 | -173.7 | -172.4 | 2.5 | 109.7 | | |
| 10 | V | 60.9 | Low | 55.8 | Low | 110 Ų | 110 | 135.5 Ų | 135.5 | 67% | 0.667 | 78% | 0.778 | S | S | * | * | | | trans | -34.3 | 124.9 | 173.3 | -178.6 | 0 | 0 | 0 | 0 | 113.3 | V8 V12 | V8-V10 HydrophobicContact CG1-CG2 4.44Å; V10-V12 HydrophobicContact CG1-CG2 4.08Å; V10-V12 PolarHBondContact O-N 2.96Å |
| 11 | V | 55.9 | Low | 55.5 | Low | 121 Ų | 121 | 136.4 Ų | 136.4 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | | | trans | -69.1 | 105.9 | 161.2 | 168.2 | 0 | 0 | 0 | 0 | 106.9 | E13 | V11-E13 VanDerWaalsContact C-N 3.34Å; V11-E13 HydrophobicContact CG1-CG 3.79Å; V11-E13 PolarHBondContact O-N 3.19Å |
| 12 | V | 62.3 | Low | 55.6 | Low | 123 Ų | 123 | 134.6 Ų | 134.6 | 75% | 0.745 | 76% | 0.76 | S | S | * | * | | | trans | -87.2 | 86.6 | 165.4 | 179.3 | 0 | 0 | 0 | 0 | 105.9 | V10 A14 | V10-V12 HydrophobicContact CG1-CG2 4.08Å; V10-V12 PolarHBondContact O-N 2.96Å; V12-A14 PolarHBondContact O-N 3.04Å; V12-A14 VanDerWaalsContact O-N 3.12Å |
| 13 | E | 59.7 | Low | 55.6 | Low | 154 Ų | 154 | 134.4 Ų | 134.4 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | | | trans | -62.4 | 109.6 | 157.1 | -82.5 | 172.3 | 163.5 | 0 | 0 | 105.8 | V11 C15 | V11-E13 VanDerWaalsContact C-N 3.34Å; V11-E13 HydrophobicContact CG1-CG 3.79Å; V11-E13 PolarHBondContact O-N 3.19Å; E13-C15 PolarHBondContact O-N 2.91Å |
| 14 | A | 59.4 | Low | 55.3 | Low | 92 Ų | 92 | 137.5 Ų | 137.5 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | | | trans | -66.3 | 79 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | V12 G16 | V12-A14 PolarHBondContact O-N 3.04Å; V12-A14 VanDerWaalsContact O-N 3.12Å; A14-G16 PolarHBondContact O-N 3.2Å |
| 15 | C | 52.4 | Low | 54.7 | Low | 126 Ų | 126 | 141.9 Ų | 141.9 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | | | trans | -71.8 | 83.1 | 162.4 | -74.4 | 0 | 0 | 0 | 0 | 107.8 | E13 | E13-C15 PolarHBondContact O-N 2.91Š|
| 16 | G | 42 | Very low | 54.4 | Low | 65 Ų | 65 | 142.7 Ų | 142.7 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | | | trans | 171.4 | 83.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | A14 | A14-G16 PolarHBondContact O-N 3.2Š|
| 17 | G | 42 | Very low | 54.1 | Low | 60 Ų | 60 | 144.8 Ų | 144.8 | 62% | 0.619 | 77% | 0.768 | S | S | * | * | | | | 107.2 | 146.7 | 61.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 18 | Q | 48.5 | Very low | 54.1 | Low | 170 Ų | 170 | 145.5 Ų | 145.5 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | | | trans | 91.9 | 43.3 | 175.6 | -44.8 | 160.1 | 80.9 | 0 | 0 | 117.4 | | |
| 19 | D | 51.4 | Low | 54.2 | Low | 154 Ų | 154 | 146.8 Ų | 146.8 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | | | trans | -114 | 61.1 | 137 | -78.4 | -55.4 | 0 | 0 | 0 | 107.7 | D21 | D19-D21 PolarHBondContact O-N 3.41Š|
| 20 | V | 55 | Low | 53.8 | Low | 97 Ų | 97 | 141.1 Ų | 141.1 | 59% | 0.588 | 76% | 0.758 | S | S | * | * | | | trans | -40.9 | 108.7 | 161.3 | -79.6 | 0 | 0 | 0 | 0 | 109 | R22 | V20-R22 PolarHBondContact O-N 2.8Š|
| 21 | D | 50.2 | Low | 53.4 | Low | 155 Ų | 155 | 139.2 Ų | 139.2 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | | | trans | 35.1 | 43.5 | 133.7 | -57.2 | -75 | 0 | 0 | 0 | 115.5 | D19 K23 | D19-D21 PolarHBondContact O-N 3.41Å; D21-K23 PolarHBondContact O-N 2.83Å; D21-K23 VanDerWaalsContact C-N 3.27Å |
| 22 | R | 55.9 | Low | 53.2 | Low | 206 Ų | 206 | 140.5 Ų | 140.5 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | | | trans | -79.8 | 90.1 | 177.9 | -97.9 | -172 | -171.6 | 135 | 1.1 | 106.7 | V20 | V20-R22 PolarHBondContact O-N 2.8Š|
| 23 | K | 55.6 | Low | 52.8 | Low | 179 Ų | 179 | 141.3 Ų | 141.3 | 78% | 0.778 | 76% | 0.759 | S | S | * | * | | | trans | 91.5 | 36.8 | 149.6 | -49.5 | 173.6 | -178.9 | 178.7 | 0 | 116.9 | D21 R25 | D21-K23 PolarHBondContact O-N 2.83Å; D21-K23 VanDerWaalsContact C-N 3.27Å; K23-R25 PolarHBondContact O-N 2.75Å |
| 24 | D | 53.9 | Low | 52.6 | Low | 163 Ų | 163 | 141.2 Ų | 141.2 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | | | trans | -77.4 | 54.6 | 156.7 | -159.8 | 33.9 | 0 | 0 | 0 | 110.6 | | |
| 25 | R | 53.3 | Low | 52.4 | Low | 241 Ų | 241 | 141.5 Ų | 141.5 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | | | trans | -145.9 | 43.1 | 175.2 | -140.5 | -178.8 | -79.2 | 140.9 | -7.4 | 109.2 | K23 | K23-R25 PolarHBondContact O-N 2.75Š|
| 26 | E | 51 | Low | 52.4 | Low | 179 Ų | 179 | 141.3 Ų | 141.3 | 84% | 0.836 | 75% | 0.749 | S | S | * | * | | | trans | -90.9 | 135.6 | 155 | -157.1 | 166.4 | -153.9 | 0 | 0 | 103.9 | | |
| 27 | D | 54.6 | Low | 53.1 | Low | 123 Ų | 123 | 149.4 Ų | 149.4 | 66% | 0.658 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 99.6 | 33.2 | 164.6 | -135.1 | 47.4 | 0 | 0 | 0 | 121.2 | | |
| 28 | D | 53.8 | Low | 53.5 | Low | 158 Ų | 158 | 154.8 Ų | 154.8 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | | | trans | -131.6 | 21.2 | 160.9 | -101.6 | -52.7 | 0 | 0 | 0 | 114.1 | Q30 | D28-Q30 PolarHBondContact O-N 2.86Š|
| 29 | D | 55.3 | Low | 53.6 | Low | 154 Ų | 154 | 152.3 Ų | 152.3 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -77.6 | 12.1 | 167.4 | -130.3 | 1.4 | 0 | 0 | 0 | 112.1 | G31 | D29-G31 PolarHBondContact O-N 3.05Š|
| 30 | Q | 56.3 | Low | 53.8 | Low | 134 Ų | 134 | 152.4 Ų | 152.4 | 63% | 0.626 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -83 | 10.4 | 172.5 | -63.1 | -168.2 | 11 | 0 | 0 | 113 | D28 D32 | D28-Q30 PolarHBondContact O-N 2.86Å; Q30-D32 VanDerWaalsContact C-N 3.33Å |
| 31 | G | 53.2 | Low | 53.7 | Low | 70 Ų | 70 | 154 Ų | 154 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -78.6 | -14.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D29 E33 | D29-G31 PolarHBondContact O-N 3.05Å; G31-E33 PolarHBondContact O-N 3.39Å |
| 32 | D | 51.4 | Low | 53.9 | Low | 147 Ų | 147 | 156 Ų | 156 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -82.2 | 12.2 | -178.4 | -140.4 | -1.6 | 0 | 0 | 0 | 112.7 | Q30 K34 | Q30-D32 VanDerWaalsContact C-N 3.33Å; D32-K34 PolarHBondContact O-N 3.47Å |
| 33 | E | 53.4 | Low | 53.7 | Low | 140 Ų | 140 | 148.4 Ų | 148.4 | 65% | 0.654 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -78.1 | 76.6 | 174.6 | -155.7 | 113.6 | -143.9 | 0 | 0 | 109.6 | G31 A35 | G31-E33 PolarHBondContact O-N 3.39Å; E33-A35 PolarHBondContact O-N 3.01Å |
| 34 | K | 55.8 | Low | 53.2 | Low | 153 Ų | 153 | 142.2 Ų | 142.2 | 67% | 0.665 | 74% | 0.743 | S | S | * | * | | | trans | 60.7 | 46.5 | 144.7 | -48.3 | -174.9 | -169.6 | -175.7 | 0 | 115.2 | D32 D36 | D32-K34 PolarHBondContact O-N 3.47Å; K34-D36 PolarHBondContact O-N 3.32Å |
| 35 | A | 55.6 | Low | 53.1 | Low | 98 Ų | 98 | 141.6 Ų | 141.6 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | | | trans | -73.7 | 40.2 | 145.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | E33 R37 | E33-A35 PolarHBondContact O-N 3.01Å; A35-R37 PolarHBondContact O-N 3.41Å |
| 36 | D | 53.3 | Low | 53.2 | Low | 121 Ų | 121 | 137.2 Ų | 137.2 | 65% | 0.647 | 73% | 0.729 | S | S | * | * | | | trans | -60.1 | 54.6 | 149.1 | -80.9 | -47.8 | 0 | 0 | 0 | 108.9 | K34 E38 | K34-D36 PolarHBondContact O-N 3.32Å; D36-E38 PolarHBondContact O-N 3.25Å |
| 37 | R | 56.2 | Low | 53.4 | Low | 235 Ų | 235 | 133.1 Ų | 133.1 | 89% | 0.887 | 73% | 0.726 | S | S | * | * | | | trans | -75.9 | 36 | 159.3 | -143 | 178.5 | -158.9 | 150.3 | 3.8 | 108.6 | A35 D39 | A35-R37 PolarHBondContact O-N 3.41Å; R37-D39 PolarHBondContact O-N 3.41Å |
| 38 | E | 50.2 | Low | 53.3 | Low | 173 Ų | 173 | 133.6 Ų | 133.6 | 81% | 0.808 | 73% | 0.729 | S | S | * | * | | | trans | -80.8 | 64.2 | 157.1 | -74.6 | -165.2 | 159.7 | 0 | 0 | 107.9 | D36 | D36-E38 PolarHBondContact O-N 3.25Š|
| 39 | D | 50.7 | Low | 53.3 | Low | 118 Ų | 118 | 135.4 Ų | 135.4 | 63% | 0.631 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -161.6 | 147.1 | 151 | -149.1 | -6.1 | 0 | 0 | 0 | 109.8 | R37 | R37-D39 PolarHBondContact O-N 3.41Š|
| 40 | H | 54.8 | Low | 53.3 | Low | 157 Ų | 157 | 136.6 Ų | 136.6 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 87.9 | 8.3 | 156.2 | -94.5 | -65.6 | 0 | 0 | 0 | 123.4 | | |
| 41 | V | 54.4 | Low | 53.1 | Low | 129 Ų | 129 | 138 Ų | 138 | 78% | 0.782 | 74% | 0.736 | S | S | * | * | | | trans | -110.1 | 37.9 | 153.6 | -151.7 | 0 | 0 | 0 | 0 | 112.1 | G43 | V41-G43 PolarHBondContact O-N 3.06Š|
| 42 | Q | 53.2 | Low | 53 | Low | 199 Ų | 199 | 144 Ų | 144 | 93% | 0.93 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 38 | 149.2 | -156.1 | 173.9 | 8.7 | 0 | 0 | 111 | | |
| 43 | G | 51.1 | Low | 52.9 | Low | 45 Ų | 45 | 139.8 Ų | 139.8 | 46% | 0.464 | 74% | 0.737 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -134 | 2.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | V41 | V41-G43 PolarHBondContact O-N 3.06Š|
| 44 | G | 46.8 | Very low | 53 | Low | 50 Ų | 50 | 141.9 Ų | 141.9 | 52% | 0.515 | 75% | 0.747 | S | S | . | * | S | Bend | trans | -75.4 | -23.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 45 | D | 51.3 | Low | 52.9 | Low | 150 Ų | 150 | 140.5 Ų | 140.5 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -84.7 | -9.8 | -176.1 | -105.4 | -87.6 | 0 | 0 | 0 | 114.1 | | |
| 46 | E | 55.3 | Low | 52.7 | Low | 149 Ų | 149 | 143.2 Ų | 143.2 | 70% | 0.696 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -97.9 | -14.8 | -179.9 | -61.1 | -163.9 | 149.3 | 0 | 0 | 113.6 | D48 | E46-D48 PolarHBondContact O-N 3.02Š|
| 47 | A | 54.7 | Low | 52.6 | Low | 93 Ų | 93 | 145.3 Ų | 145.3 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -10.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R49 | A47-R49 PolarHBondContact O-N 3.24Å; A47-R49 VanDerWaalsContact C-N 3.28Å |
| 48 | D | 53.4 | Low | 52.5 | Low | 133 Ų | 133 | 141 Ų | 141 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -3.4 | 178.9 | -168.6 | 44.9 | 0 | 0 | 0 | 114 | E46 | E46-D48 PolarHBondContact O-N 3.02Š|
| 49 | R | 54.1 | Low | 52.7 | Low | 195 Ų | 195 | 137.1 Ų | 137.1 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -99.7 | -8 | -164 | -78.4 | -146 | -170.4 | 104.9 | 9.4 | 120.4 | A47 | A47-R49 PolarHBondContact O-N 3.24Å; A47-R49 VanDerWaalsContact C-N 3.28Å |
| 50 | E | 54.3 | Low | 52.9 | Low | 180 Ų | 180 | 136.9 Ų | 136.9 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -131.1 | -8.3 | -170.4 | -66.1 | -167.9 | 167.2 | 0 | 0 | 118.6 | Q52 | E50-Q52 VanDerWaalsContact C-N 3.35Å; E50-Q52 PolarHBondContact O-N 2.99Å |
| 51 | N | 52.9 | Low | 52.9 | Low | 163 Ų | 163 | 139.8 Ų | 139.8 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 6.8 | 179.6 | -158.8 | 40.9 | 0 | 0 | 0 | 115.5 | G53 | N51-G53 VanDerWaalsContact C-N 3.31Š|
| 52 | Q | 50 | Low | 52.7 | Low | 195 Ų | 195 | 140.8 Ų | 140.8 | 91% | 0.911 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 13.2 | 173.7 | -64.4 | -162.6 | 8.5 | 0 | 0 | 113.6 | E50 | E50-Q52 VanDerWaalsContact C-N 3.35Å; E50-Q52 PolarHBondContact O-N 2.99Å |
| 53 | G | 50.2 | Low | 52.6 | Low | 59 Ų | 59 | 138 Ų | 138 | 61% | 0.608 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -96.6 | -33.5 | -166.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | N51 | N51-G53 VanDerWaalsContact C-N 3.31Š|
| 54 | Q | 55 | Low | 52.7 | Low | 185 Ų | 185 | 144 Ų | 144 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -151.3 | 37 | -155.6 | -57.2 | -170.8 | -92.1 | 0 | 0 | 117.6 | | |
| 55 | S | 53.9 | Low | 53 | Low | 124 Ų | 124 | 147.1 Ų | 147.1 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -129.5 | 12.3 | 167.3 | -66.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 56 | D | 52 | Low | 52.9 | Low | 154 Ų | 154 | 143.2 Ų | 143.2 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -90.5 | -2.7 | 172.7 | -140.3 | -106.9 | 0 | 0 | 0 | 113.4 | | |
| 57 | E | 50.9 | Low | 52.6 | Low | 166 Ų | 166 | 138.8 Ų | 138.8 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -101.3 | 11.6 | -170.9 | -148.1 | 80.7 | -165.7 | 0 | 0 | 114.8 | | |
| 58 | E | 53.7 | Low | 52.6 | Low | 145 Ų | 145 | 141.3 Ų | 141.3 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | | | trans | -126.2 | 58.9 | 170.4 | -58.4 | -67.7 | 175.6 | 0 | 0 | 109.8 | D60 | E58-D60 PolarHBondContact O-N 2.75Å; E58-D60 VanDerWaalsContact OE2-CB 3.32Å; E58-D60 WeakPolarHBondContact OE2-CB 3.32Å |
| 59 | A | 54 | Low | 52.7 | Low | 90 Ų | 90 | 142.9 Ų | 142.9 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | | | trans | -55.8 | 13.5 | 145.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R61 | A59-R61 PolarHBondContact O-N 3.22Š|
| 60 | D | 54.6 | Low | 52.6 | Low | 113 Ų | 113 | 141 Ų | 141 | 60% | 0.604 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 12.9 | 178.9 | -161.8 | 35.1 | 0 | 0 | 0 | 113.7 | E58 | E58-D60 PolarHBondContact O-N 2.75Å; E58-D60 VanDerWaalsContact OE2-CB 3.32Å; E58-D60 WeakPolarHBondContact OE2-CB 3.32Å |
| 61 | R | 55.4 | Low | 52.9 | Low | 218 Ų | 218 | 140.4 Ų | 140.4 | 82% | 0.823 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | 3.5 | 172.5 | -64.5 | -157.4 | -160.8 | 148.3 | 7.8 | 114.7 | A59 D63 | A59-R61 PolarHBondContact O-N 3.22Å; R61-D63 PolarHBondContact O-N 2.89Å |
| 62 | D | 50.3 | Low | 53.1 | Low | 151 Ų | 151 | 138.1 Ų | 138.1 | 81% | 0.807 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -13.4 | 172.1 | -111.3 | -69.1 | 0 | 0 | 0 | 112.9 | | |
| 63 | D | 51.9 | Low | 53.2 | Low | 139 Ų | 139 | 132 Ų | 132 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -12.4 | -177.2 | -160.4 | 35.5 | 0 | 0 | 0 | 115 | R61 | R61-D63 PolarHBondContact O-N 2.89Š|
| 64 | Q | 52.7 | Low | 53.5 | Low | 171 Ų | 171 | 136.3 Ų | 136.3 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -101.5 | -8.6 | -176.3 | -70 | -173.1 | 18.9 | 0 | 0 | 115.2 | G66 G67 | Q64-G66 VanDerWaalsContact C-N 3.27Å; Q64-G67 PolarHBondContact O-N 3.4Å |
| 65 | V | 53.3 | Low | 53.7 | Low | 117 Ų | 117 | 134.1 Ų | 134.1 | 71% | 0.709 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 14.6 | 174.3 | -153.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 66 | G | 48.6 | Very low | 53.9 | Low | 68 Ų | 68 | 135.9 Ų | 135.9 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -4.4 | 155.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q64 | Q64-G66 VanDerWaalsContact C-N 3.27Š|
| 67 | G | 48 | Very low | 54.3 | Low | 55 Ų | 55 | 132.2 Ų | 132.2 | 57% | 0.567 | 73% | 0.729 | S | S | * | * | | | trans | -92.2 | -1.6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | Q64 E69 | Q64-G67 PolarHBondContact O-N 3.4Å; G67-E69 PolarHBondContact O-N 3.21Å |
| 68 | I | 56 | Low | 54.7 | Low | 147 Ų | 147 | 132.6 Ų | 132.6 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | | | trans | -84.9 | 64.3 | 165.5 | 61.1 | 154 | 0 | 0 | 0 | 108.6 | E70 | I68-E70 VanDerWaalsContact C-N 3.32Å; I68-E70 PolarHBondContact O-N 3.22Å |
| 69 | E | 55.1 | Low | 54.7 | Low | 165 Ų | 165 | 129.6 Ų | 129.6 | 77% | 0.771 | 74% | 0.738 | S | S | * | * | | | trans | -45.5 | 112.2 | 155.6 | -68.9 | -177.6 | 130 | 0 | 0 | 105.8 | G67 L71 | G67-E69 PolarHBondContact O-N 3.21Å; E69-L71 VanDerWaalsContact C-N 3.26Å; E69-L71 PolarHBondContact O-N 2.66Å |
| 70 | E | 52.8 | Low | 55.1 | Low | 156 Ų | 156 | 132.2 Ų | 132.2 | 73% | 0.729 | 74% | 0.74 | S | S | * | * | | | trans | -56.9 | 92.9 | -175.7 | -168.2 | -177 | 123.1 | 0 | 0 | 107.1 | I68 N72 | I68-E70 VanDerWaalsContact C-N 3.32Å; I68-E70 PolarHBondContact O-N 3.22Å; E70-N72 HydrophobicContact CG-CB 4Å; E70-N72 PolarHBondContact OE1-ND2 2.97Å; E70-N72 PolarHBondContact O-N 3.02Å; E70-N72 WeakPolarHBondContact CG-ND2 3.13Å |
| 71 | L | 59 | Low | 54.6 | Low | 168 Ų | 168 | 139.4 Ų | 139.4 | 88% | 0.88 | 77% | 0.769 | S | S | * | * | | | trans | -72.5 | 50.5 | 169 | -64.1 | 176.2 | 0 | 0 | 0 | 108.9 | E69 G73 | E69-L71 VanDerWaalsContact C-N 3.26Å; E69-L71 PolarHBondContact O-N 2.66Å; L71-G73 PolarHBondContact O-N 2.91Å |
| 72 | N | 58 | Low | 54.6 | Low | 114 Ų | 114 | 135.5 Ų | 135.5 | 61% | 0.61 | 77% | 0.766 | S | S | * | * | | | trans | -86.4 | 88.7 | 159.5 | -71.7 | -26.1 | 0 | 0 | 0 | 104 | E70 D74 | E70-N72 HydrophobicContact CG-CB 4Å; E70-N72 PolarHBondContact OE1-ND2 2.97Å; E70-N72 PolarHBondContact O-N 3.02Å; E70-N72 WeakPolarHBondContact CG-ND2 3.13Å; N72-D74 VanDerWaalsContact C-N 3.28Å; N72-D74 PolarHBondContact O-N 2.74Å |
| 73 | G | 52.1 | Low | 54.8 | Low | 66 Ų | 66 | 134.6 Ų | 134.6 | 68% | 0.68 | 76% | 0.764 | S | S | * | * | | | | 87.8 | 3.8 | 77.9 | 0 | 0 | 0 | 0 | 0 | 112 | L71 D75 | L71-G73 PolarHBondContact O-N 2.91Å; G73-D75 PolarHBondContact O-N 3.01Å |
| 74 | D | 55.3 | Low | 55 | Low | 151 Ų | 151 | 134.4 Ų | 134.4 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | | | trans | -75 | 47 | 160.7 | -73.4 | -49.6 | 0 | 0 | 0 | 111.3 | N72 Q76 | N72-D74 VanDerWaalsContact C-N 3.28Å; N72-D74 PolarHBondContact O-N 2.74Å; D74-Q76 PolarHBondContact O-N 3.31Å |
| 75 | D | 60 | Low | 55.1 | Low | 139 Ų | 139 | 132.2 Ų | 132.2 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | | | trans | -83 | 58.3 | 157.6 | -174.3 | 31.4 | 0 | 0 | 0 | 108 | G73 A77 | G73-D75 PolarHBondContact O-N 3.01Å; D75-A77 PolarHBondContact O-N 3.12Å |
| 76 | Q | 58.9 | Low | 55.2 | Low | 161 Ų | 161 | 133.2 Ų | 133.2 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | | | trans | -81.8 | 67.8 | 162.7 | -66.1 | -165.9 | -27.3 | 0 | 0 | 107.5 | D74 H78 | D74-Q76 PolarHBondContact O-N 3.31Å; Q76-H78 PolarHBondContact O-N 3.23Å; Q76-H78 VanDerWaalsContact O-N 3.14Å |
| 77 | A | 60.3 | Low | 55.7 | Low | 77 Ų | 77 | 137.5 Ų | 137.5 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | | | trans | -51.4 | 119.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | D75 G79 | D75-A77 PolarHBondContact O-N 3.12Å; A77-G79 PolarHBondContact O-N 3.4Å |
| 78 | H | 58 | Low | 56.2 | Low | 174 Ų | 174 | 143.4 Ų | 143.4 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | | | trans | -55 | 102.7 | 175.7 | -65.5 | -85.5 | 0 | 0 | 0 | 110.2 | Q76 D80 | Q76-H78 PolarHBondContact O-N 3.23Å; Q76-H78 VanDerWaalsContact O-N 3.14Å; H78-D80 VanDerWaalsContact C-N 3.26Å; H78-D80 PolarHBondContact O-N 3.43Å |
| 79 | G | 54.5 | Low | 56.3 | Low | 81 Ų | 81 | 143.2 Ų | 143.2 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | | | trans | -73.8 | 82.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | A77 H81 | A77-G79 PolarHBondContact O-N 3.4Å; G79-H81 PolarHBondContact O-N 3.32Å |
| 80 | D | 61.3 | Low | 56.4 | Low | 146 Ų | 146 | 141.3 Ų | 141.3 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | | | trans | -67.8 | 98.8 | 163.1 | -92 | -61.7 | 0 | 0 | 0 | 110 | H78 | H78-D80 VanDerWaalsContact C-N 3.26Å; H78-D80 PolarHBondContact O-N 3.43Å |
| 81 | H | 46 | Very low | 56.7 | Low | 263 Ų | 263 | 140 Ų | 140 | 100% | 1.218 | 80% | 0.795 | S | S | * | * | | | trans | -169.1 | 0 | 145.4 | -120.1 | 63.6 | 0 | 0 | 0 | 113.9 | G79 | G79-H81 PolarHBondContact O-N 3.32Š|