| 1 | M | 38.6 | Very low | 49.4 | Very low | 247 Ų | 247 | 153.7 Ų | 153.7 | 100% | 1.217 | 82% | 0.821 | S | S | * | * | | | | 0 | 117.2 | 0 | -74.7 | 155.3 | 68.2 | 0 | 0 | 107.1 | | |
| 2 | T | 45.8 | Very low | 49.8 | Very low | 151 Ų | 151 | 147.3 Ų | 147.3 | 93% | 0.926 | 82% | 0.819 | S | S | * | * | | | trans | -75.9 | 153.2 | 177.4 | 41.4 | 0 | 0 | 0 | 0 | 111 | | |
| 3 | G | 40.8 | Very low | 49.4 | Very low | 79 Ų | 79 | 148.5 Ų | 148.5 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | | | trans | 162.5 | 96.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 4 | A | 46.6 | Very low | 50.3 | Low | 80 Ų | 80 | 151 Ų | 151 | 66% | 0.661 | 82% | 0.824 | S | S | * | * | | | trans | -70.9 | 167 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 5 | E | 50.6 | Low | 50.1 | Low | 170 Ų | 170 | 150.4 Ų | 150.4 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | | | trans | 75.1 | 130.2 | 157.3 | -54.7 | 162.9 | 134.6 | 0 | 0 | 112.6 | | |
| 6 | E | 50.1 | Low | 50.3 | Low | 132 Ų | 132 | 148 Ų | 148 | 62% | 0.617 | 81% | 0.811 | S | S | * | * | | | | 136.2 | 124 | 79.1 | -140.5 | 175.7 | 28.5 | 0 | 0 | 100.4 | | |
| 7 | W | 55.5 | Low | 50.5 | Low | 204 Ų | 204 | 146.7 Ų | 146.7 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | | | | -174.2 | 139.1 | 59.9 | -74.7 | 84.9 | 0 | 0 | 0 | 106.8 | L9 | W7-L9 PolarHBondContact O-N 3.27Š|
| 8 | K | 54.4 | Low | 50.6 | Low | 192 Ų | 192 | 145.7 Ų | 145.7 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | | | trans | -60 | 125.4 | 155.9 | -84.6 | 169.2 | 161.1 | 177.8 | 0 | 109.4 | | |
| 9 | L | 57.6 | Low | 50.4 | Low | 157 Ų | 157 | 142.2 Ų | 142.2 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | | | trans | -154.6 | 96.7 | 145 | -67.4 | -179.7 | 0 | 0 | 0 | 105.7 | W7 | W7-L9 PolarHBondContact O-N 3.27Š|
| 10 | S | 55.1 | Low | 50.5 | Low | 96 Ų | 96 | 147.3 Ų | 147.3 | 67% | 0.671 | 81% | 0.808 | S | S | * | * | | | | 62.2 | 134.4 | 78.4 | -62.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 11 | M | 48.5 | Very low | 50.3 | Low | 183 Ų | 183 | 148.5 Ų | 148.5 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | | | trans | 79.8 | 104.2 | 166 | -43.7 | -170.7 | -50.4 | 0 | 0 | 112.7 | | |
| 12 | G | 53.8 | Low | 50.9 | Low | 77 Ų | 77 | 144.3 Ų | 144.3 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | | 75.3 | 73.4 | 60.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 13 | L | 44.5 | Very low | 51 | Low | 162 Ų | 162 | 144.3 Ų | 144.3 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | | | trans | -150 | 96.4 | 148.9 | -167.5 | 59.2 | 0 | 0 | 0 | 106.1 | D15 | L13-D15 PolarHBondContact O-N 3.34Š|
| 14 | E | 62.3 | Low | 51.1 | Low | 184 Ų | 184 | 149.4 Ų | 149.4 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | trans | -53.1 | 116.3 | 161.1 | -41.4 | -175.5 | 124.2 | 0 | 0 | 105.7 | | |
| 15 | D | 47.7 | Very low | 50.9 | Low | 142 Ų | 142 | 149.1 Ų | 149.1 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | | | trans | -157.3 | 129.5 | 139.9 | -128 | -31.9 | 0 | 0 | 0 | 113.9 | L13 | L13-D15 PolarHBondContact O-N 3.34Š|
| 16 | T | 52.4 | Low | 50.6 | Low | 112 Ų | 112 | 149.4 Ų | 149.4 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | | | trans | 75.5 | 95.4 | 148.3 | -29.3 | 0 | 0 | 0 | 0 | 118.3 | | |
| 17 | V | 54.4 | Low | 50.5 | Low | 126 Ų | 126 | 148.6 Ų | 148.6 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | | | trans | -18.2 | 125.2 | 149.8 | -178.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 18 | P | 52.3 | Low | 50.3 | Low | 129 Ų | 129 | 143.1 Ų | 143.1 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | | | trans | -103.6 | 100.6 | 160.9 | 34.1 | -22.6 | 0 | 0 | 0 | 109.5 | | |
| 19 | A | 46.3 | Very low | 50.1 | Low | 79 Ų | 79 | 144.6 Ų | 144.6 | 65% | 0.653 | 80% | 0.796 | S | S | * | * | | | trans | -164.8 | 89.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 20 | R | 52.7 | Low | 49.9 | Very low | 244 Ų | 244 | 143.7 Ų | 143.7 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | | | trans | 36.5 | 105 | 131.6 | -59.6 | 178.5 | 178.9 | -167.3 | -1.2 | 118.1 | | |
| 21 | L | 46.2 | Very low | 49.9 | Very low | 172 Ų | 172 | 144 Ų | 144 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | | | trans | -132.9 | 98.7 | 136.3 | -81.4 | 164.8 | 0 | 0 | 0 | 104.3 | | |
| 22 | H | 51.4 | Low | 50 | Low | 160 Ų | 160 | 144 Ų | 144 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | | | | 52.7 | 145.1 | 99.3 | -157.6 | 69.8 | 0 | 0 | 0 | 112.9 | | |
| 23 | E | 48.3 | Very low | 50.1 | Low | 151 Ų | 151 | 151.6 Ų | 151.6 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | | | trans | 94.3 | 88.8 | 172.1 | -40.4 | -102.6 | 93.5 | 0 | 0 | 114.9 | | |
| 24 | H | 43.6 | Very low | 50.4 | Low | 186 Ų | 186 | 148.5 Ų | 148.5 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | | | | 172 | 75.7 | 122.3 | -103.7 | -86.6 | 0 | 0 | 0 | 110.1 | E26 | H24-E26 PolarHBondContact O-N 3.37Š|
| 25 | G | 42 | Very low | 50.3 | Low | 73 Ų | 73 | 149 Ų | 149 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | | | trans | -76.4 | 98.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 26 | E | 43.2 | Very low | 50.7 | Low | 177 Ų | 177 | 148 Ų | 148 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | | | trans | 37.4 | 89.3 | 136.3 | -56.1 | 179.3 | 108.4 | 0 | 0 | 116.8 | H24 S28 | H24-E26 PolarHBondContact O-N 3.37Å; E26-S28 PolarHBondContact O-N 3.27Å |
| 27 | A | 49.4 | Very low | 50.7 | Low | 115 Ų | 115 | 148 Ų | 148 | 95% | 0.95 | 80% | 0.804 | S | S | * | * | | | trans | -72.2 | 94.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 28 | S | 51.3 | Low | 50.4 | Low | 88 Ų | 88 | 146.6 Ų | 146.6 | 62% | 0.615 | 80% | 0.8 | S | S | * | * | | | trans | -108.9 | 115.5 | 176 | -108.7 | 0 | 0 | 0 | 0 | 110.3 | E26 | E26-S28 PolarHBondContact O-N 3.27Š|
| 29 | W | 49.4 | Very low | 50.4 | Low | 224 Ų | 224 | 148.2 Ų | 148.2 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | | | trans | 57.7 | 119.1 | 153.7 | -47.4 | 94.1 | 0 | 0 | 0 | 119.6 | | |
| 30 | T | 52.5 | Low | 50.6 | Low | 138 Ų | 138 | 155 Ų | 155 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | | | | 174.2 | 124.3 | 94.5 | 36.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 31 | A | 55.6 | Low | 50.4 | Low | 101 Ų | 101 | 151.2 Ų | 151.2 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | | | trans | -75.3 | 122.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 32 | E | 51.7 | Low | 50.6 | Low | 183 Ų | 183 | 147.2 Ų | 147.2 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | | | trans | -172.3 | 114 | 148.6 | -152.7 | 171.7 | 92.6 | 0 | 0 | 110.3 | | |
| 33 | R | 54.9 | Low | 50.5 | Low | 237 Ų | 237 | 146.1 Ų | 146.1 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | | | trans | 178 | 113 | 134.3 | -99.9 | 165.5 | 166.6 | -127.3 | -3.8 | 113.8 | | |
| 34 | S | 50.3 | Low | 50.7 | Low | 97 Ų | 97 | 146.3 Ų | 146.3 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | | | trans | 72.1 | 88.6 | 143.3 | -156.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 35 | H | 60.7 | Low | 51.1 | Low | 195 Ų | 195 | 142.6 Ų | 142.6 | 90% | 0.903 | 79% | 0.793 | S | S | * | * | | | trans | -96.8 | 29 | 160.3 | -61.1 | -54.3 | 0 | 0 | 0 | 113 | | |
| 36 | V | 56 | Low | 51.5 | Low | 121 Ų | 121 | 143.9 Ų | 143.9 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | | | trans | -111.8 | 84 | 177.2 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | | |
| 37 | C | 52.2 | Low | 52 | Low | 112 Ų | 112 | 139.1 Ų | 139.1 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -169.8 | -22 | 151.5 | -100.7 | 0 | 0 | 0 | 0 | 117 | I39 | C37-I39 PolarHBondContact O-N 3.18Š|
| 38 | S | 48.6 | Very low | 52.3 | Low | 97 Ų | 97 | 138.1 Ų | 138.1 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -83.8 | -7.9 | -165.7 | -54 | 0 | 0 | 0 | 0 | 116.9 | R40 Q41 | S38-R40 PolarHBondContact O-N 3.47Å; S38-R40 VanDerWaalsContact O-N 3.07Å; S38-Q41 PolarHBondContact O-N 3.21Å |
| 39 | I | 51.2 | Low | 52.6 | Low | 162 Ų | 162 | 141.8 Ų | 141.8 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | G | 310 helix | trans | -61.6 | -20.5 | -178.9 | -64.7 | 171.8 | 0 | 0 | 0 | 112.5 | C37 | C37-I39 PolarHBondContact O-N 3.18Š|
| 40 | R | 50.9 | Low | 52.5 | Low | 221 Ų | 221 | 136.8 Ų | 136.8 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | G | 310 helix | trans | -81.4 | -18 | 179.3 | -83 | -170.9 | -93.2 | -138.8 | -2.1 | 115.4 | S38 A42 | S38-R40 PolarHBondContact O-N 3.47Å; S38-R40 VanDerWaalsContact O-N 3.07Å; R40-A42 VanDerWaalsContact C-N 3.34Å; R40-A42 PolarHBondContact O-N 3.07Å |
| 41 | Q | 49.7 | Very low | 52.7 | Low | 166 Ų | 166 | 136.7 Ų | 136.7 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -13.9 | -177.6 | -86.6 | -178.2 | -6.7 | 0 | 0 | 114.5 | S38 N43 | S38-Q41 PolarHBondContact O-N 3.21Å; Q41-N43 VanDerWaalsContact C-N 3.34Å; Q41-N43 PolarHBondContact O-N 3.13Å |
| 42 | A | 49.1 | Very low | 52.4 | Low | 87 Ų | 87 | 136.8 Ų | 136.8 | 72% | 0.719 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -9.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R40 | R40-A42 VanDerWaalsContact C-N 3.34Å; R40-A42 PolarHBondContact O-N 3.07Å |
| 43 | N | 50.8 | Low | 52.7 | Low | 138 Ų | 138 | 131.9 Ų | 131.9 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -94.7 | -15 | -173.5 | -118.6 | -62.5 | 0 | 0 | 0 | 115.1 | Q41 | Q41-N43 VanDerWaalsContact C-N 3.34Å; Q41-N43 PolarHBondContact O-N 3.13Å |
| 44 | D | 51.5 | Low | 52.8 | Low | 154 Ų | 154 | 129.4 Ų | 129.4 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -10.7 | -175.6 | -109.1 | -79 | 0 | 0 | 0 | 114.4 | | |
| 45 | S | 51.3 | Low | 53 | Low | 109 Ų | 109 | 130.8 Ų | 130.8 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | 3.6 | -173.7 | -59.4 | 0 | 0 | 0 | 0 | 114.7 | G47 | S45-G47 PolarHBondContact O-N 3.26Å; S45-G47 VanDerWaalsContact O-N 3.13Å |
| 46 | A | 51.9 | Low | 52.9 | Low | 99 Ų | 99 | 130 Ų | 130 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 27.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 47 | G | 54 | Low | 52.7 | Low | 77 Ų | 77 | 130 Ų | 130 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.7 | 10 | -167.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | S45 | S45-G47 PolarHBondContact O-N 3.26Å; S45-G47 VanDerWaalsContact O-N 3.13Å |
| 48 | A | 54.3 | Low | 52.6 | Low | 95 Ų | 95 | 132.5 Ų | 132.5 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | -121.1 | 106.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 49 | L | 57.1 | Low | 52.7 | Low | 165 Ų | 165 | 131.3 Ų | 131.3 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 142.2 | 168.2 | -66.7 | 172 | 0 | 0 | 0 | 110 | V51 | L49-V51 PolarHBondContact O-N 3.47Š|
| 50 | P | 49.3 | Very low | 52.6 | Low | 118 Ų | 118 | 133.5 Ų | 133.5 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 123.9 | -178.9 | 27.3 | -32.8 | 0 | 0 | 0 | 111.1 | | |
| 51 | V | 55.7 | Low | 52.9 | Low | 137 Ų | 137 | 128.1 Ų | 128.1 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 122.6 | 169.6 | 166.3 | 0 | 0 | 0 | 0 | 108.7 | L49 G53 | L49-V51 PolarHBondContact O-N 3.47Å; V51-G53 PolarHBondContact O-N 3.44Å |
| 52 | A | 49.8 | Very low | 53.2 | Low | 103 Ų | 103 | 128 Ų | 128 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -60.6 | 126.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 53 | G | 57.8 | Low | 53.4 | Low | 79 Ų | 79 | 127.5 Ų | 127.5 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 132.2 | 15.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | V51 | V51-G53 PolarHBondContact O-N 3.44Š|
| 54 | K | 57.8 | Low | 53.6 | Low | 186 Ų | 186 | 126.4 Ų | 126.4 | 81% | 0.809 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -126.1 | 140 | 171.9 | -65.2 | -172.7 | 179.8 | 178.8 | 0 | 111.4 | E56 | K54-E56 PolarHBondContact O-N 3.07Š|
| 55 | P | 53.7 | Low | 53.9 | Low | 126 Ų | 126 | 123.1 Ų | 123.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -67.9 | 120.2 | 173.1 | 27.5 | -30.4 | 0 | 0 | 0 | 108.9 | | |
| 56 | E | 59.5 | Low | 53.8 | Low | 177 Ų | 177 | 123.7 Ų | 123.7 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | | | trans | -65.9 | 132.9 | 174.2 | -72.7 | -173.9 | 144.3 | 0 | 0 | 110.6 | K54 M58 | K54-E56 PolarHBondContact O-N 3.07Å; E56-M58 PolarHBondContact O-N 3.37Å |
| 57 | P | 50 | Low | 53.9 | Low | 123 Ų | 123 | 125.2 Ų | 125.2 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | | | trans | -77.4 | 108.1 | 169.4 | 30.3 | -30.3 | 0 | 0 | 0 | 110.4 | | |
| 58 | M | 51.1 | Low | 53.7 | Low | 163 Ų | 163 | 125 Ų | 125 | 80% | 0.803 | 77% | 0.771 | S | S | * | * | | | | 52.1 | 145.3 | 128.7 | -151.3 | -174.4 | 172.1 | 0 | 0 | 121.4 | E56 | E56-M58 PolarHBondContact O-N 3.37Š|
| 59 | A | 50.2 | Low | 53.6 | Low | 72 Ų | 72 | 125.7 Ų | 125.7 | 60% | 0.595 | 77% | 0.767 | S | S | * | * | | | trans | 74.4 | 134.6 | 145.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 60 | R | 50.4 | Low | 53.7 | Low | 208 Ų | 208 | 128.1 Ų | 128.1 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | cis | -160 | 130.6 | 6.8 | -107.3 | 156.7 | 178.2 | 173 | -1.8 | 104.8 | L62 | R60-L62 PolarHBondContact O-N 3.03Å; R60-L62 VanDerWaalsContact O-N 3.07Å |
| 61 | S | 55.8 | Low | 54 | Low | 109 Ų | 109 | 129.4 Ų | 129.4 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | trans | -57.5 | 112.7 | 162.2 | -171.6 | 0 | 0 | 0 | 0 | 107.6 | A63 | S61-A63 PolarHBondContact O-N 3.24Š|
| 62 | L | 56.8 | Low | 53.8 | Low | 163 Ų | 163 | 129.5 Ų | 129.5 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | | | trans | -87.5 | 49.7 | 165.2 | -65.8 | 179.7 | 0 | 0 | 0 | 109.3 | R60 S64 | R60-L62 PolarHBondContact O-N 3.03Å; R60-L62 VanDerWaalsContact O-N 3.07Å; L62-S64 PolarHBondContact O-N 3.12Å; L62-S64 VanDerWaalsContact O-N 3.12Å |
| 63 | A | 52.3 | Low | 53.9 | Low | 77 Ų | 77 | 132.8 Ų | 132.8 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | | | trans | -75.4 | 87.1 | 156 | 0 | 0 | 0 | 0 | 0 | 106.8 | S61 | S61-A63 PolarHBondContact O-N 3.24Š|
| 64 | S | 55.8 | Low | 53.7 | Low | 114 Ų | 114 | 135.3 Ų | 135.3 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | | | trans | 155.1 | 74.5 | 158.8 | -81.1 | 0 | 0 | 0 | 0 | 108.6 | L62 | L62-S64 PolarHBondContact O-N 3.12Å; L62-S64 VanDerWaalsContact O-N 3.12Å |
| 65 | A | 56.6 | Low | 53.6 | Low | 85 Ų | 85 | 137.5 Ų | 137.5 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | | | trans | -69.6 | 128.8 | 156.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | V67 | A65-V67 PolarHBondContact O-N 3.1Å; A65-V67 VanDerWaalsContact O-N 3.1Å |
| 66 | P | 49.7 | Very low | 53.5 | Low | 121 Ų | 121 | 134.9 Ų | 134.9 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | | | trans | -65.4 | 113.8 | 166.5 | 26.9 | -30 | 0 | 0 | 0 | 107.1 | S68 | P66-S68 PolarHBondContact O-N 3.03Š|
| 67 | V | 54.9 | Low | 53.1 | Low | 132 Ų | 132 | 131.7 Ų | 131.7 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | | | trans | -67.2 | 104.7 | 171.5 | 172.7 | 0 | 0 | 0 | 0 | 107.1 | A65 P69 | A65-V67 PolarHBondContact O-N 3.1Å; A65-V67 VanDerWaalsContact O-N 3.1Å; V67-P69 WeakPolarHBondContact O-CD 3.47Å |
| 68 | S | 49.2 | Very low | 53.5 | Low | 73 Ų | 73 | 132.1 Ų | 132.1 | 51% | 0.51 | 74% | 0.743 | S | S | . | * | | | trans | -55.8 | 120.8 | 167.1 | -66.5 | 0 | 0 | 0 | 0 | 109 | P66 W70 | P66-S68 PolarHBondContact O-N 3.03Å; S68-W70 PolarHBondContact O-N 3.12Å; S68-W70 VanDerWaalsContact O-N 3.12Å |
| 69 | P | 52.4 | Low | 53.8 | Low | 109 Ų | 109 | 130 Ų | 130 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 15.4 | -174.1 | 30 | -27.4 | 0 | 0 | 0 | 113.4 | V67 | V67-P69 WeakPolarHBondContact O-CD 3.47Š|
| 70 | W | 58.2 | Low | 54 | Low | 216 Ų | 216 | 132.4 Ų | 132.4 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.1 | 30.6 | -168.8 | -67.2 | 107.1 | 0 | 0 | 0 | 114.6 | S68 H72 | S68-W70 PolarHBondContact O-N 3.12Å; S68-W70 VanDerWaalsContact O-N 3.12Å; W70-H72 PolarHBondContact O-CE1 2.81Å; W70-H72 PolarHBondContact O-N 3.06Å; W70-H72 PolarHBondContact O-ND1 3.36Å |
| 71 | H | 56.5 | Low | 54.5 | Low | 145 Ų | 145 | 127 Ų | 127 | 67% | 0.671 | 75% | 0.749 | S | S | * | * | | | trans | -83.1 | 74.8 | 162.1 | -74.8 | -70.8 | 0 | 0 | 0 | 110.9 | | |
| 72 | H | 50.8 | Low | 54.6 | Low | 138 Ų | 138 | 131.7 Ų | 131.7 | 64% | 0.639 | 76% | 0.755 | S | S | * | * | | | trans | 13.5 | 125.4 | 140.7 | 29.4 | -91.8 | 0 | 0 | 0 | 118.1 | W70 D74 | W70-H72 PolarHBondContact O-CE1 2.81Å; W70-H72 PolarHBondContact O-N 3.06Å; W70-H72 PolarHBondContact O-ND1 3.36Å; H72-D74 PolarHBondContact O-N 3.47Å |
| 73 | M | 52.9 | Low | 54.8 | Low | 173 Ų | 173 | 128 Ų | 128 | 85% | 0.852 | 75% | 0.748 | S | S | * | * | | | trans | -38.5 | 131.1 | 149.8 | -60.4 | -173.1 | 67.4 | 0 | 0 | 111.2 | | |
| 74 | D | 54.3 | Low | 54.9 | Low | 131 Ų | 131 | 134.4 Ų | 134.4 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | | | | 172.2 | 158.5 | 93.4 | -143.7 | -72.6 | 0 | 0 | 0 | 111.4 | H72 | H72-D74 PolarHBondContact O-N 3.47Š|
| 75 | R | 55.3 | Low | 54.9 | Low | 233 Ų | 233 | 133.9 Ų | 133.9 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | | | trans | 83.1 | 46 | 167.9 | -51.2 | -172.2 | -177.2 | 179.2 | 2.1 | 119.4 | | |
| 76 | G | 50.2 | Low | 54.8 | Low | 70 Ų | 70 | 137.1 Ų | 137.1 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | | | trans | -91.4 | 108.3 | 145.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | T78 | G76-T78 PolarHBondContact O-N 2.98Š|
| 77 | S | 52.1 | Low | 54.6 | Low | 110 Ų | 110 | 136.9 Ų | 136.9 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | | | trans | -57.7 | 103.6 | 170.7 | 173.9 | 0 | 0 | 0 | 0 | 109.8 | T79 | S77-T79 PolarHBondContact O-N 3.23Š|
| 78 | T | 58 | Low | 54.5 | Low | 132 Ų | 132 | 135.3 Ų | 135.3 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | | | trans | -74 | 100.6 | 159.1 | 14.5 | 0 | 0 | 0 | 0 | 106.9 | G76 P80 | G76-T78 PolarHBondContact O-N 2.98Å; T78-P80 WeakPolarHBondContact O-CD 3.4Å |
| 79 | T | 58.5 | Low | 54.3 | Low | 119 Ų | 119 | 137.6 Ų | 137.6 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -53 | 122.2 | 163.4 | 35.4 | 0 | 0 | 0 | 0 | 108.7 | S77 A81 | S77-T79 PolarHBondContact O-N 3.23Å; T79-A81 PolarHBondContact O-N 3.3Å; T79-A81 VanDerWaalsContact O-N 3.17Å |
| 80 | P | 52.6 | Low | 54.3 | Low | 123 Ų | 123 | 137.9 Ų | 137.9 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 118.4 | 174.5 | 25.6 | -28.8 | 0 | 0 | 0 | 108 | T78 K82 | T78-P80 WeakPolarHBondContact O-CD 3.4Å; P80-K82 PolarHBondContact O-N 3.17Å |
| 81 | A | 62.8 | Low | 53.8 | Low | 94 Ų | 94 | 137.3 Ų | 137.3 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 127.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | T79 A83 | T79-A81 PolarHBondContact O-N 3.3Å; T79-A81 VanDerWaalsContact O-N 3.17Å; A81-A83 PolarHBondContact O-N 2.86Å |
| 82 | K | 56.5 | Low | 53.5 | Low | 208 Ų | 208 | 139.5 Ų | 139.5 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | | | trans | -63.4 | 96.6 | 177 | -174.1 | 170 | 179.6 | 171.8 | 0 | 109 | P80 R84 | P80-K82 PolarHBondContact O-N 3.17Å; K82-R84 PolarHBondContact O-N 3.29Å |
| 83 | A | 61.1 | Low | 53.2 | Low | 84 Ų | 84 | 142.7 Ų | 142.7 | 69% | 0.694 | 81% | 0.805 | S | S | * | * | | | trans | -64.4 | 119.5 | 168 | 0 | 0 | 0 | 0 | 0 | 108.1 | A81 S85 | A81-A83 PolarHBondContact O-N 2.86Å; A83-S85 PolarHBondContact O-N 3.07Å |
| 84 | R | 54.8 | Low | 52.7 | Low | 212 Ų | 212 | 138 Ų | 138 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | | | trans | -73.6 | 97.5 | 174.1 | -176.8 | 162.6 | 178.7 | 143.7 | -0.3 | 108 | K82 H86 | K82-R84 PolarHBondContact O-N 3.29Å; R84-H86 PolarHBondContact NE-NE2 3.46Å; R84-H86 PolarHBondContact O-N 3.25Å |
| 85 | S | 55.5 | Low | 52.5 | Low | 104 Ų | 104 | 141 Ų | 141 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | | | trans | -63.5 | 115 | 171.1 | -58.9 | 0 | 0 | 0 | 0 | 109.9 | A83 | A83-S85 PolarHBondContact O-N 3.07Š|
| 86 | H | 55 | Low | 51.7 | Low | 152 Ų | 152 | 138.9 Ų | 138.9 | 70% | 0.704 | 81% | 0.808 | S | S | * | * | | | trans | -99.8 | 107.3 | 153.4 | -77.9 | -80.1 | 0 | 0 | 0 | 106.4 | R84 A88 | R84-H86 PolarHBondContact NE-NE2 3.46Å; R84-H86 PolarHBondContact O-N 3.25Å; H86-A88 PolarHBondContact O-N 3.31Å |
| 87 | S | 44.1 | Very low | 51.2 | Low | 117 Ų | 117 | 142.5 Ų | 142.5 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -63.4 | 119.1 | 176.5 | -39 | 0 | 0 | 0 | 0 | 109.3 | | |
| 88 | A | 53.8 | Low | 50.6 | Low | 99 Ų | 99 | 144.1 Ų | 144.1 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -128.6 | 97.6 | 155.7 | 0 | 0 | 0 | 0 | 0 | 105.9 | H86 | H86-A88 PolarHBondContact O-N 3.31Š|
| 89 | S | 44.7 | Very low | 50 | Low | 120 Ų | 120 | 143.4 Ų | 143.4 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | | | trans | -88.3 | 138.4 | 169.3 | -75.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 90 | P | 51.7 | Low | 49 | Very low | 115 Ų | 115 | 145.4 Ų | 145.4 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | | | trans | -102 | 123.9 | 177.3 | 34.4 | -23.8 | 0 | 0 | 0 | 110.5 | | |
| 91 | E | 48.5 | Very low | 48.5 | Very low | 205 Ų | 205 | 149 Ų | 149 | 96% | 0.958 | 81% | 0.806 | S | S | * | * | | | trans | -150 | 111.5 | 156.1 | -70.6 | -160.8 | 123.4 | 0 | 0 | 110.5 | | |
| 92 | Q | 50.4 | Low | 47.4 | Very low | 190 Ų | 190 | 150.4 Ų | 150.4 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | | | trans | -90.6 | 126.5 | 153.1 | -91.2 | -170.8 | -52.2 | 0 | 0 | 107 | | |
| 93 | E | 45.5 | Very low | 47 | Very low | 206 Ų | 206 | 149.2 Ų | 149.2 | 96% | 0.963 | 80% | 0.803 | S | S | * | * | | | trans | 173.9 | 142.6 | 130.3 | -102.4 | -173.1 | 108 | 0 | 0 | 110.7 | | |
| 94 | G | 41.2 | Very low | 46.1 | Very low | 74 Ų | 74 | 150.5 Ų | 150.5 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | | | trans | 123.5 | 79.5 | 165 | 0 | 0 | 0 | 0 | 0 | 115.1 | F96 | G94-F96 PolarHBondContact O-N 3.44Š|
| 95 | E | 49.2 | Very low | 45.4 | Very low | 193 Ų | 193 | 146.1 Ų | 146.1 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | | | trans | -50.7 | 131.3 | 152.7 | -80.9 | 165.1 | 89.5 | 0 | 0 | 109.9 | | |
| 96 | F | 38.6 | Very low | 45 | Very low | 190 Ų | 190 | 145.6 Ų | 145.6 | 83% | 0.833 | 80% | 0.803 | S | S | * | * | | | | -166.8 | 123.9 | 127.6 | -122.5 | -112 | 0 | 0 | 0 | 110.7 | G94 | G94-F96 PolarHBondContact O-N 3.44Š|
| 97 | L | 41 | Very low | 44.5 | Very low | 146 Ų | 146 | 147.7 Ų | 147.7 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | | | trans | 83.7 | 85.1 | 161.7 | -51.5 | 173.3 | 0 | 0 | 0 | 118.5 | | |
| 98 | N | 38.2 | Very low | 44.8 | Very low | 143 Ų | 143 | 147.7 Ų | 147.7 | 77% | 0.765 | 81% | 0.81 | S | S | * | * | | | trans | -46.5 | 144 | 137 | -109 | -81.1 | 0 | 0 | 0 | 110.3 | | |
| 99 | P | 46.1 | Very low | 44 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | | | | -140.3 | 152.7 | 85.3 | 35.5 | -20.1 | 0 | 0 | 0 | 113.8 | | |
| 100 | H | 36.8 | Very low | 44.3 | Very low | 160 Ų | 160 | 146.1 Ų | 146.1 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 93.2 | 84.7 | 159.6 | -120.2 | -105.9 | 0 | 0 | 0 | 116.7 | | |
| 101 | R | 42.3 | Very low | 43.9 | Very low | 198 Ų | 198 | 147 Ų | 147 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | | | | 87.1 | 88.5 | 116.1 | -152.8 | 173.7 | -168.5 | -129.4 | 6.5 | 115.7 | | |
| 102 | T | 41.1 | Very low | 43.6 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | | | | 49.4 | 101.5 | 129 | -21.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 103 | Q | 46.5 | Very low | 42.9 | Very low | 183 Ų | 183 | 138.6 Ų | 138.6 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | | | trans | -54.9 | 147 | 156.4 | -77.9 | -165 | 16.2 | 0 | 0 | 110.6 | | |
| 104 | P | 42.6 | Very low | 42.9 | Very low | 112 Ų | 112 | 135 Ų | 135 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | trans | -118.2 | 121.2 | 130.5 | 26.5 | -13.4 | 0 | 0 | 0 | 110 | | |
| 105 | T | 40 | Very low | 43 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | | | | 35 | 116.3 | 128.1 | 1.4 | 0 | 0 | 0 | 0 | 117.9 | | |
| 106 | A | 47.7 | Very low | 42.7 | Very low | 92 Ų | 92 | 139.4 Ų | 139.4 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | | | trans | 23.3 | 116.3 | 139.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 107 | Q | 44.3 | Very low | 42.9 | Very low | 196 Ų | 196 | 135 Ų | 135 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | | | | -162.4 | 156.2 | 125.7 | -104.8 | -168.1 | -72.8 | 0 | 0 | 112.1 | | |
| 108 | P | 50 | Low | 43.2 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | trans | -83.7 | 149.7 | -167.7 | 35.8 | -33.8 | 0 | 0 | 0 | 111.7 | | |
| 109 | G | 37.3 | Very low | 43.2 | Very low | 67 Ų | 67 | 135.8 Ų | 135.8 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | | | trans | -147.4 | 117.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 110 | P | 51.3 | Low | 42.9 | Very low | 118 Ų | 118 | 134 Ų | 134 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | | | trans | -69 | 140.4 | 163.3 | 29.8 | -31 | 0 | 0 | 0 | 108.3 | S112 | P110-S112 PolarHBondContact O-N 2.92Š|
| 111 | P | 43.7 | Very low | 43.3 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | | | trans | -71.1 | 97.5 | 170.6 | 28.2 | -30.6 | 0 | 0 | 0 | 108.5 | | |
| 112 | S | 41.4 | Very low | 43.5 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | -81 | 126.1 | 161.1 | -174.1 | 0 | 0 | 0 | 0 | 108.5 | P110 | P110-S112 PolarHBondContact O-N 2.92Š|
| 113 | C | 36.2 | Very low | 43.6 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | | | trans | 160.4 | 89 | 130.4 | -82.4 | 0 | 0 | 0 | 0 | 110 | | |
| 114 | S | 45 | Very low | 43.5 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | | | trans | -123.5 | 125.4 | 144 | -82 | 0 | 0 | 0 | 0 | 107.3 | | |
| 115 | Q | 44.6 | Very low | 43.9 | Very low | 188 Ų | 188 | 135.8 Ų | 135.8 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | trans | -70.7 | 123.8 | -166.8 | -62.1 | 163.9 | 50.9 | 0 | 0 | 109.9 | | |
| 116 | H | 41.1 | Very low | 44.4 | Very low | 173 Ų | 173 | 134.2 Ų | 134.2 | 80% | 0.801 | 80% | 0.798 | S | S | * | * | | | trans | -127.7 | 103.2 | 149.5 | -124.6 | -91.7 | 0 | 0 | 0 | 106.1 | E118 | H116-E118 IonicContact ND1-OE1 3.76Š|
| 117 | A | 42.9 | Very low | 44.6 | Very low | 97 Ų | 97 | 135.2 Ų | 135.2 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | | | trans | -96.3 | 110.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 118 | E | 47.6 | Very low | 44.5 | Very low | 152 Ų | 152 | 130.3 Ų | 130.3 | 71% | 0.71 | 79% | 0.792 | S | S | * | * | | | trans | -155.6 | 93.4 | 148.7 | 49.6 | -158.1 | 115.1 | 0 | 0 | 110.6 | H116 | H116-E118 IonicContact ND1-OE1 3.76Š|
| 119 | N | 39.5 | Very low | 44 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | | | trans | 47.2 | 93.2 | 138.7 | -61.1 | -47.1 | 0 | 0 | 0 | 119.3 | | |
| 120 | G | 39.2 | Very low | 44.3 | Very low | 80 Ų | 80 | 137.6 Ų | 137.6 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | | | trans | -108 | 101.2 | 148.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | E122 | G120-E122 PolarHBondContact O-N 3.35Š|
| 121 | L | 44.3 | Very low | 44 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 74% | 0.743 | 83% | 0.832 | S | S | * | * | | | trans | -67.5 | 119.2 | 168.7 | -97.3 | 99.1 | 0 | 0 | 0 | 109.9 | | |
| 122 | E | 46.3 | Very low | 44 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 77% | 0.766 | 83% | 0.83 | S | S | * | * | | | | 70.6 | 98.7 | 129.1 | -51 | -165.7 | 131.8 | 0 | 0 | 120.1 | G120 | G120-E122 PolarHBondContact O-N 3.35Š|
| 123 | R | 44.8 | Very low | 44.1 | Very low | 236 Ų | 236 | 140.8 Ų | 140.8 | 89% | 0.891 | 84% | 0.836 | S | S | * | * | | | trans | 15.6 | 134.1 | 133.1 | -74.2 | -179.3 | 162.8 | 177.2 | -4.6 | 119.7 | | |
| 124 | E | 43.7 | Very low | 44.6 | Very low | 182 Ų | 182 | 142.5 Ų | 142.5 | 85% | 0.85 | 84% | 0.84 | S | S | * | * | | | trans | -137.1 | 120.8 | 134.9 | -100 | -77.8 | 87.9 | 0 | 0 | 108.5 | | |
| 125 | P | 50.9 | Low | 44.6 | Very low | 91 Ų | 91 | 143.4 Ų | 143.4 | 59% | 0.591 | 84% | 0.835 | S | S | * | * | | | trans | -92.4 | 119 | 171.2 | 32.3 | -25.5 | 0 | 0 | 0 | 110.3 | S127 | P125-S127 PolarHBondContact O-N 3.19Š|
| 126 | G | 51.6 | Low | 44.6 | Very low | 87 Ų | 87 | 140.2 Ų | 140.2 | 90% | 0.897 | 83% | 0.832 | S | S | * | * | | | trans | -60.9 | 119 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 127 | S | 51.8 | Low | 44.9 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 79% | 0.79 | 84% | 0.835 | S | S | * | * | | | trans | -104.5 | 123.4 | 168.2 | -71.9 | 0 | 0 | 0 | 0 | 110.6 | P125 | P125-S127 PolarHBondContact O-N 3.19Š|
| 128 | A | 40.4 | Very low | 45 | Very low | 94 Ų | 94 | 141.1 Ų | 141.1 | 78% | 0.777 | 84% | 0.838 | S | S | * | * | | | trans | 48.2 | 104.5 | 145 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 129 | S | 40.4 | Very low | 44.8 | Very low | 199 Ų | 199 | 140.1 Ų | 140.1 | 100% | 1.392 | 85% | 0.849 | S | S | * | * | | | | 177.8 | 0 | 101.8 | -73.3 | 0 | 0 | 0 | 0 | 110.8 | | |