| 1 | M | 42.5 | Very low | 46.6 | Very low | 225 Ų | 225 | 143.1 Ų | 143.1 | 100% | 1.108 | 87% | 0.871 | S | S | * | * | | | | 0 | 113.2 | 0 | -56.9 | -176.8 | -165.7 | 0 | 0 | 107.3 | | |
| 2 | Y | 46.7 | Very low | 47.1 | Very low | 213 Ų | 213 | 139.9 Ų | 139.9 | 84% | 0.835 | 86% | 0.86 | S | S | * | * | | | trans | 30 | 118.4 | 171.1 | 66 | -87 | 0 | 0 | 0 | 121.1 | | |
| 3 | R | 47.6 | Very low | 47.8 | Very low | 214 Ų | 214 | 143.4 Ų | 143.4 | 81% | 0.808 | 86% | 0.864 | S | S | * | * | | | trans | -157.1 | 88.2 | 143.3 | -171.4 | 179.5 | -96.3 | -157.2 | -4.3 | 110.8 | | |
| 4 | D | 48.2 | Very low | 48.2 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 90% | 0.898 | 87% | 0.865 | S | S | * | * | | | trans | -128 | 99.5 | 152.8 | -77.9 | -68.1 | 0 | 0 | 0 | 106.8 | | |
| 5 | R | 55.2 | Low | 48.4 | Very low | 218 Ų | 218 | 145.2 Ų | 145.2 | 82% | 0.823 | 86% | 0.863 | S | S | * | * | | | trans | -95.2 | 106.2 | 167.9 | -77.3 | -176 | -149.6 | -134.6 | 0.2 | 107.8 | | |
| 6 | S | 50.7 | Low | 48.8 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 87% | 0.874 | 86% | 0.855 | S | S | * | * | | | trans | -35.5 | 142.1 | 152.4 | 25.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 7 | G | 41.7 | Very low | 49.4 | Very low | 80 Ų | 80 | 144.1 Ų | 144.1 | 83% | 0.825 | 86% | 0.856 | S | S | * | * | | | trans | 146 | 90.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 8 | G | 42.4 | Very low | 50.1 | Low | 88 Ų | 88 | 142.2 Ų | 142.2 | 91% | 0.907 | 85% | 0.849 | S | S | * | * | | | cis | 117.7 | 102.7 | 43.3 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 9 | G | 41.7 | Very low | 50.6 | Low | 81 Ų | 81 | 140.9 Ų | 140.9 | 84% | 0.835 | 84% | 0.844 | S | S | * | * | | | trans | -166.9 | 83.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 10 | G | 45.5 | Very low | 50.9 | Low | 88 Ų | 88 | 138.2 Ų | 138.2 | 91% | 0.907 | 84% | 0.838 | S | S | * | * | | | trans | 59.8 | 85.2 | 144.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 11 | G | 49.9 | Very low | 51.1 | Low | 74 Ų | 74 | 137.1 Ų | 137.1 | 76% | 0.763 | 84% | 0.836 | S | S | * | * | | | trans | -159.4 | 57.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | M13 | G11-M13 PolarHBondContact O-N 2.88Š|
| 12 | S | 52.5 | Low | 51.8 | Low | 105 Ų | 105 | 134.6 Ų | 134.6 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | | | trans | -62.8 | 84 | 170.8 | -179 | 0 | 0 | 0 | 0 | 110.2 | | |
| 13 | M | 56.6 | Low | 52.2 | Low | 185 Ų | 185 | 134.4 Ų | 134.4 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | | | trans | -114.5 | 56.2 | 148.4 | -65.9 | -79.3 | -169.9 | 0 | 0 | 106.6 | G11 G15 | G11-M13 PolarHBondContact O-N 2.88Å; M13-G15 PolarHBondContact O-N 2.91Å |
| 14 | R | 53.1 | Low | 52.3 | Low | 232 Ų | 232 | 133.6 Ų | 133.6 | 88% | 0.875 | 83% | 0.826 | S | S | * | * | | | trans | -60.7 | 118.8 | 159.3 | -81.1 | 178 | 170 | -91.9 | 0.3 | 107 | | |
| 15 | G | 52.1 | Low | 52.1 | Low | 82 Ų | 82 | 129 Ų | 129 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | | | trans | 87.9 | 123.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | M13 | M13-G15 PolarHBondContact O-N 2.91Š|
| 16 | G | 54.6 | Low | 51.9 | Low | 71 Ų | 71 | 122 Ų | 122 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | | | trans | 135.3 | 81.1 | 162 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 17 | F | 58.9 | Low | 51.7 | Low | 200 Ų | 200 | 122.2 Ų | 122.2 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | | | trans | -36.4 | 138.6 | 145.5 | -71.5 | -100.1 | 0 | 0 | 0 | 109.4 | | |
| 18 | P | 62.1 | Low | 52.3 | Low | 111 Ų | 111 | 124.6 Ų | 124.6 | 72% | 0.721 | 81% | 0.814 | S | S | * | * | | | trans | -53.9 | 142.8 | 178.5 | 23.7 | -33.4 | 0 | 0 | 0 | 109.9 | A20 | P18-A20 PolarHBondContact O-N 2.98Š|
| 19 | P | 59.7 | Low | 52.6 | Low | 117 Ų | 117 | 123.3 Ų | 123.3 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | | | trans | -55.4 | 132.3 | 178.7 | 22.9 | -32.2 | 0 | 0 | 0 | 109.1 | S21 | P19-S21 PolarHBondContact O-N 2.79Š|
| 20 | A | 56.5 | Low | 53.4 | Low | 86 Ų | 86 | 126.4 Ų | 126.4 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | | | trans | -59.5 | 102.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | P18 H22 | P18-A20 PolarHBondContact O-N 2.98Å; A20-H22 PolarHBondContact O-N 2.83Å |
| 21 | S | 54.7 | Low | 53.5 | Low | 116 Ų | 116 | 129.5 Ų | 129.5 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | | | trans | -64.7 | 91.2 | 167.3 | -62.1 | 0 | 0 | 0 | 0 | 108.2 | P19 Y23 | P19-S21 PolarHBondContact O-N 2.79Å; S21-Y23 PolarHBondContact O-N 2.93Å |
| 22 | H | 57.6 | Low | 54.2 | Low | 172 Ų | 172 | 135 Ų | 135 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | | | trans | -76.7 | 105.4 | 171.9 | -118.8 | 77.7 | 0 | 0 | 0 | 108.9 | A20 | A20-H22 PolarHBondContact O-N 2.83Š|
| 23 | Y | 54.1 | Low | 54.4 | Low | 209 Ų | 209 | 138.8 Ų | 138.8 | 82% | 0.82 | 81% | 0.808 | S | S | * | * | | | trans | 14.5 | 128.3 | 152.3 | -67.6 | -92.6 | 0 | 0 | 0 | 120.8 | S21 | S21-Y23 PolarHBondContact O-N 2.93Š|
| 24 | H | 50.6 | Low | 54.1 | Low | 197 Ų | 197 | 135 Ų | 135 | 91% | 0.912 | 80% | 0.795 | S | S | * | * | | | | -159.4 | 102.3 | 125.4 | -143 | 70 | 0 | 0 | 0 | 111.9 | | |
| 25 | G | 44 | Very low | 53.9 | Low | 71 Ų | 71 | 127.9 Ų | 127.9 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | | | trans | -145.2 | 97.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | T27 | G25-T27 PolarHBondContact O-N 2.85Š|
| 26 | G | 50.7 | Low | 53.8 | Low | 72 Ų | 72 | 128.3 Ų | 128.3 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | | | trans | -64.2 | 123.6 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 27 | T | 47.9 | Very low | 53.8 | Low | 129 Ų | 129 | 131.9 Ų | 131.9 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | trans | -118.6 | 98.4 | 148.4 | 59 | 0 | 0 | 0 | 0 | 106.8 | G25 G29 | G25-T27 PolarHBondContact O-N 2.85Å; T27-G29 PolarHBondContact O-N 2.86Å |
| 28 | S | 52.8 | Low | 53.6 | Low | 131 Ų | 131 | 124.9 Ų | 124.9 | 92% | 0.916 | 75% | 0.747 | S | S | * | * | | | trans | -59.5 | 102.2 | 161.4 | 52.3 | 0 | 0 | 0 | 0 | 107.8 | | |
| 29 | G | 49.1 | Very low | 53.4 | Low | 61 Ų | 61 | 127.8 Ų | 127.8 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | | | trans | 168.1 | 76.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | T27 N31 | T27-G29 PolarHBondContact O-N 2.86Å; G29-N31 PolarHBondContact O-N 2.83Å |
| 30 | V | 57.9 | Low | 53.3 | Low | 145 Ų | 145 | 125.7 Ų | 125.7 | 88% | 0.879 | 75% | 0.751 | S | S | * | * | | | trans | -60.4 | 100.9 | 171.8 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 31 | N | 49.1 | Very low | 53.7 | Low | 153 Ų | 153 | 125.2 Ų | 125.2 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | | | trans | -160.7 | 109.4 | 141.8 | -110.4 | -18.9 | 0 | 0 | 0 | 109.7 | G29 | G29-N31 PolarHBondContact O-N 2.83Š|
| 32 | K | 63.1 | Low | 53.9 | Low | 191 Ų | 191 | 123.1 Ų | 123.1 | 83% | 0.83 | 72% | 0.719 | S | S | * | * | | | trans | -74.4 | 146.8 | 173.7 | -63.2 | 179.7 | 178.9 | -175.1 | 0 | 108.1 | | |
| 33 | Q | 57.1 | Low | 53.9 | Low | 183 Ų | 183 | 121.6 Ų | 121.6 | 86% | 0.855 | 73% | 0.725 | S | S | * | * | | | trans | 81.3 | 112.4 | 178.2 | -46.9 | 170.9 | 7.1 | 0 | 0 | 110.1 | | |
| 34 | V | 51.2 | Low | 54.4 | Low | 107 Ų | 107 | 115.7 Ų | 115.7 | 65% | 0.648 | 73% | 0.727 | S | S | * | * | | | | -152.7 | 137.5 | 69.7 | 170.2 | 0 | 0 | 0 | 0 | 109.9 | Y37 | V34-Y37 HydrophobicContact CG1-CD1 4.01Å; V34-Y37 HydrophobicContact CG1-CE1 3.16Å |
| 35 | A | 48.1 | Very low | 55 | Low | 82 Ų | 82 | 112.5 Ų | 112.5 | 68% | 0.678 | 72% | 0.715 | S | S | * | * | | | trans | -51.6 | 146.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y37 | A35-Y37 WeakPolarHBondContact O-CD1 3.4Å; A35-Y37 PolarHBondContact O-N 3.28Å |
| 36 | S | 50.7 | Low | 55.8 | Low | 91 Ų | 91 | 111.1 Ų | 111.1 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -57.7 | 53.6 | -178 | -49.4 | 0 | 0 | 0 | 0 | 116.4 | | |
| 37 | Y | 54.5 | Low | 56.4 | Low | 146 Ų | 146 | 111.6 Ų | 111.6 | 57% | 0.573 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -87 | -10.5 | 166.9 | 64.6 | -105.1 | 0 | 0 | 0 | 112.8 | V34 A35 | V34-Y37 HydrophobicContact CG1-CD1 4.01Å; V34-Y37 HydrophobicContact CG1-CE1 3.16Å; A35-Y37 WeakPolarHBondContact O-CD1 3.4Å; A35-Y37 PolarHBondContact O-N 3.28Å |
| 38 | A | 54.9 | Low | 57.1 | Low | 52 Ų | 52 | 110.9 Ų | 110.9 | 43% | 0.43 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -99 | -7.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | G40 | A38-G40 PolarHBondContact O-N 3.32Š|
| 39 | Q | 57.1 | Low | 57.6 | Low | 172 Ų | 172 | 111.1 Ų | 111.1 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -4.6 | -174.3 | -73 | -170.9 | -47.9 | 0 | 0 | 114.7 | | |
| 40 | G | 57.7 | Low | 58 | Low | 73 Ų | 73 | 112.8 Ų | 112.8 | 75% | 0.753 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.7 | 12.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | A38 | A38-G40 PolarHBondContact O-N 3.32Š|
| 41 | L | 65.3 | Low | 58.1 | Low | 76 Ų | 76 | 113.9 Ų | 113.9 | 40% | 0.398 | 67% | 0.674 | S | S | . | * | P | Polyproline II helix | trans | -83.4 | 134.7 | 179.6 | -64.4 | 177.1 | 0 | 0 | 0 | 109.7 | M45 | L41-M45 HydrophobicContact CB-CB 4Å; L41-M45 WeakPolarHBondContact CD1-O 3.18Å |
| 42 | P | 58.1 | Low | 58.4 | Low | 72 Ų | 72 | 113.1 Ų | 113.1 | 47% | 0.468 | 68% | 0.678 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 152.4 | 176.6 | 23.5 | -31.9 | 0 | 0 | 0 | 110.4 | G44 M45 | P42-G44 PolarHBondContact O-N 3.09Å; P42-M45 HydrophobicContact CG-CB 4.21Å; P42-M45 HydrophobicContact CG-CG 4.03Å; P42-M45 HydrophobicContact CG-SD 3.74Å; P42-M45 PolarHBondContact O-N 3.06Å |
| 43 | P | 58.8 | Low | 57.7 | Low | 141 Ų | 141 | 112 Ų | 112 | 92% | 0.916 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.5 | 120.1 | 175.8 | -26.1 | 33.8 | 0 | 0 | 0 | 110.6 | | |
| 44 | G | 63.2 | Low | 57.8 | Low | 84 Ų | 84 | 105.9 Ų | 105.9 | 87% | 0.866 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.3 | -5.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | P42 | P42-G44 PolarHBondContact O-N 3.09Š|
| 45 | M | 63.2 | Low | 57.9 | Low | 131 Ų | 131 | 108.4 Ų | 108.4 | 65% | 0.645 | 67% | 0.671 | S | S | * | * | | | trans | -102.8 | 11.4 | 173.8 | -76.8 | -165.6 | 166.5 | 0 | 0 | 114.3 | L41 P42 | L41-M45 HydrophobicContact CB-CB 4Å; L41-M45 WeakPolarHBondContact CD1-O 3.18Å; P42-M45 HydrophobicContact CG-CB 4.21Å; P42-M45 HydrophobicContact CG-CG 4.03Å; P42-M45 HydrophobicContact CG-SD 3.74Å; P42-M45 PolarHBondContact O-N 3.06Å |
| 46 | G | 62.3 | Low | 58.1 | Low | 42 Ų | 42 | 111.5 Ų | 111.5 | 43% | 0.433 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -71.4 | 162.1 | 171 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 47 | P | 62.5 | Low | 58 | Low | 82 Ų | 82 | 115 Ų | 115 | 53% | 0.532 | 68% | 0.677 | S | S | . | * | P | Polyproline II helix | trans | -56.1 | 141.7 | 172.4 | 25.1 | -32.8 | 0 | 0 | 0 | 109.7 | V49 | P47-V49 PolarHBondContact O-N 3.33Å; P47-V49 VanDerWaalsContact O-N 3.12Å |
| 48 | P | 62.1 | Low | 58.1 | Low | 114 Ų | 114 | 116.4 Ų | 116.4 | 74% | 0.74 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 123.4 | -174.9 | 23.2 | -32.9 | 0 | 0 | 0 | 109.7 | V50 | P48-V50 PolarHBondContact O-N 3.5Å; P48-V50 WeakPolarHBondContact O-CG2 3.22Å; P48-V50 VanDerWaalsContact C-N 3.34Å |
| 49 | V | 63.4 | Low | 58 | Low | 135 Ų | 135 | 117.5 Ų | 117.5 | 82% | 0.818 | 70% | 0.698 | S | S | * | * | | | trans | -66.1 | 99.8 | 168.8 | 177.3 | 0 | 0 | 0 | 0 | 106.6 | P47 K51 | P47-V49 PolarHBondContact O-N 3.33Å; P47-V49 VanDerWaalsContact O-N 3.12Å; V49-K51 PolarHBondContact O-N 3.26Å |
| 50 | V | 58.4 | Low | 57.9 | Low | 96 Ų | 96 | 112.8 Ų | 112.8 | 58% | 0.582 | 68% | 0.683 | S | S | * | * | | | trans | -67.4 | 95.8 | 179.5 | -159.8 | 0 | 0 | 0 | 0 | 107.7 | P48 Y57 | P48-V50 PolarHBondContact O-N 3.5Å; P48-V50 WeakPolarHBondContact O-CG2 3.22Å; P48-V50 VanDerWaalsContact C-N 3.34Å; V50-Y57 HydrophobicContact CG1-CE2 4.38Å; V50-Y57 WeakPolarHBondContact CG1-OH 3.4Å |
| 51 | K | 58.7 | Low | 57.9 | Low | 168 Ų | 168 | 118.1 Ų | 118.1 | 73% | 0.73 | 69% | 0.689 | S | S | * | * | | | trans | -62.7 | 132.3 | 167.1 | -83.6 | 172.1 | 174.2 | 173.9 | 0 | 108.1 | V49 H53 | V49-K51 PolarHBondContact O-N 3.26Å; K51-H53 PolarHBondContact O-N 2.94Å |
| 52 | P | 57.2 | Low | 57.3 | Low | 138 Ų | 138 | 125.9 Ų | 125.9 | 90% | 0.896 | 71% | 0.713 | S | S | * | * | | | trans | -80.1 | 77.1 | 173.6 | 34 | -30.2 | 0 | 0 | 0 | 107.1 | | |
| 53 | H | 47.1 | Very low | 57.4 | Low | 167 Ų | 167 | 128.2 Ų | 128.2 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | | | trans | -121.8 | 126.6 | 166.7 | -162.7 | -86.9 | 0 | 0 | 0 | 109 | K51 | K51-H53 PolarHBondContact O-N 2.94Š|
| 54 | G | 58.8 | Low | 57.5 | Low | 55 Ų | 55 | 131.5 Ų | 131.5 | 57% | 0.567 | 72% | 0.72 | S | S | * | * | | | trans | -57.9 | 153.5 | -162.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 55 | N | 54.1 | Low | 57.2 | Low | 159 Ų | 159 | 132.7 Ų | 132.7 | 85% | 0.85 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 88.9 | 121.2 | 158.2 | -59.2 | -0.6 | 0 | 0 | 0 | 117.1 | | |
| 56 | N | 52 | Low | 57.2 | Low | 148 Ų | 148 | 132.6 Ų | 132.6 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | | | trans | 76.3 | 50.9 | 165.8 | -82.1 | -45.6 | 0 | 0 | 0 | 118.2 | Q58 | N56-Q58 PolarHBondContact O-N 2.82Š|
| 57 | Y | 49.9 | Very low | 57 | Low | 165 Ų | 165 | 136 Ų | 136 | 65% | 0.647 | 73% | 0.734 | S | S | * | * | | | trans | -70.6 | 101.9 | 138 | -69.3 | -82.4 | 0 | 0 | 0 | 108.1 | V50 A59 | V50-Y57 HydrophobicContact CG1-CE2 4.38Å; V50-Y57 WeakPolarHBondContact CG1-OH 3.4Å; Y57-A59 PolarHBondContact O-N 3.25Å |
| 58 | Q | 54.7 | Low | 56.2 | Low | 174 Ų | 174 | 140.1 Ų | 140.1 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | | | trans | -67.8 | 43.9 | 153 | -70.2 | -170.4 | -55.9 | 0 | 0 | 110.5 | N56 S60 | N56-Q58 PolarHBondContact O-N 2.82Å; Q58-S60 PolarHBondContact O-N 2.87Å; Q58-S60 VanDerWaalsContact O-N 3.07Å |
| 59 | A | 54.3 | Low | 56 | Low | 76 Ų | 76 | 145.6 Ų | 145.6 | 63% | 0.628 | 75% | 0.751 | S | S | * | * | | | trans | -85.8 | 63.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | Y57 | Y57-A59 PolarHBondContact O-N 3.25Š|
| 60 | S | 53.3 | Low | 55.6 | Low | 72 Ų | 72 | 145.1 Ų | 145.1 | 50% | 0.503 | 74% | 0.744 | S | S | . | * | | | trans | -167 | 81.3 | 165.1 | -80.9 | 0 | 0 | 0 | 0 | 107 | Q58 W62 V63 | Q58-S60 PolarHBondContact O-N 2.87Å; Q58-S60 VanDerWaalsContact O-N 3.07Å; S60-W62 PolarHBondContact O-N 3.18Å; S60-V63 PolarHBondContact O-N 2.83Å; S60-V63 WeakPolarHBondContact O-CG2 3.13Å |
| 61 | Q | 59.3 | Low | 55 | Low | 185 Ų | 185 | 145.8 Ų | 145.8 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 25.8 | 162.4 | -62.3 | -73.8 | 14.5 | 0 | 0 | 112 | | |
| 62 | W | 52.2 | Low | 54.8 | Low | 240 Ų | 240 | 142.6 Ų | 142.6 | 91% | 0.909 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.8 | 17.9 | 170.6 | -62.9 | 106.8 | 0 | 0 | 0 | 111.6 | S60 R64 | S60-W62 PolarHBondContact O-N 3.18Å; W62-R64 PolarHBondContact O-N 3.31Å |
| 63 | V | 59.9 | Low | 54.4 | Low | 120 Ų | 120 | 144.4 Ų | 144.4 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | | | trans | -76.6 | 105.7 | 169.9 | 179.1 | 0 | 0 | 0 | 0 | 107.4 | S60 | S60-V63 PolarHBondContact O-N 2.83Å; S60-V63 WeakPolarHBondContact O-CG2 3.13Å |
| 64 | R | 60.7 | Low | 54.3 | Low | 211 Ų | 211 | 140.9 Ų | 140.9 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | | | trans | -50.1 | 137.5 | 173.5 | -68.4 | 170.8 | 132 | -146 | -2.8 | 109.6 | W62 | W62-R64 PolarHBondContact O-N 3.31Š|
| 65 | P | 57.8 | Low | 53.9 | Low | 108 Ų | 108 | 149 Ų | 149 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | | | trans | -58.8 | 145.9 | 172.2 | 24.7 | -31.5 | 0 | 0 | 0 | 109.1 | T67 | P65-T67 PolarHBondContact O-N 3.07Š|
| 66 | P | 63.4 | Low | 53.8 | Low | 130 Ų | 130 | 149.7 Ų | 149.7 | 84% | 0.844 | 76% | 0.755 | S | S | * | * | | | trans | -53.5 | 114.2 | 176.9 | -20 | 30 | 0 | 0 | 0 | 108.5 | H68 | P66-H68 PolarHBondContact O-N 3.23Å; P66-H68 VanDerWaalsContact O-N 3.09Å |
| 67 | T | 57.7 | Low | 53.6 | Low | 113 Ų | 113 | 146 Ų | 146 | 69% | 0.693 | 75% | 0.752 | S | S | * | * | | | trans | -60.5 | 117.9 | 172.7 | 48.8 | 0 | 0 | 0 | 0 | 106.4 | P65 R69 | P65-T67 PolarHBondContact O-N 3.07Å; T67-R69 PolarHBondContact O-N 2.86Å |
| 68 | H | 45.2 | Very low | 53.9 | Low | 169 Ų | 169 | 146.4 Ų | 146.4 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | | | trans | -48.6 | 101.6 | 175.3 | -163.2 | -92.9 | 0 | 0 | 0 | 108.2 | P66 D70 | P66-H68 PolarHBondContact O-N 3.23Å; P66-H68 VanDerWaalsContact O-N 3.09Å; H68-D70 PolarHBondContact O-N 3.02Å |
| 69 | R | 57.4 | Low | 54.1 | Low | 228 Ų | 228 | 143.1 Ų | 143.1 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | | | trans | -88.7 | 62.5 | -173.5 | -170.2 | -160.6 | -171.1 | -175.7 | 4 | 107.6 | T67 | T67-R69 PolarHBondContact O-N 2.86Š|
| 70 | D | 55 | Low | 54.4 | Low | 125 Ų | 125 | 145 Ų | 145 | 67% | 0.668 | 76% | 0.764 | S | S | * | * | | | trans | -157.4 | 132.4 | 168.1 | -75.7 | -47.3 | 0 | 0 | 0 | 110.3 | H68 | H68-D70 PolarHBondContact O-N 3.02Š|
| 71 | S | 45.8 | Very low | 54.8 | Low | 111 Ų | 111 | 149.4 Ų | 149.4 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | 76.1 | 97 | 163.9 | -56.6 | 0 | 0 | 0 | 0 | 116.6 | | |
| 72 | S | 54.5 | Low | 55 | Low | 100 Ų | 100 | 142.6 Ų | 142.6 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | | | | 38 | 154.4 | 125.8 | -144.7 | 0 | 0 | 0 | 0 | 119 | | |
| 73 | H | 49.1 | Very low | 55.8 | Low | 176 Ų | 176 | 136.5 Ų | 136.5 | 82% | 0.815 | 75% | 0.752 | S | S | * | * | | | trans | 78.3 | 139 | 178.9 | -38.5 | 89.8 | 0 | 0 | 0 | 113.8 | | |
| 74 | S | 44.5 | Very low | 55.9 | Low | 93 Ų | 93 | 136.3 Ų | 136.3 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | | | cis | -171.8 | 158.8 | -16 | -171.3 | 0 | 0 | 0 | 0 | 103.6 | H76 | S74-H76 VanDerWaalsContact C-N 3.32Å; S74-H76 PolarHBondContact O-N 2.73Å |
| 75 | Y | 51.8 | Low | 56.1 | Low | 225 Ų | 225 | 134.5 Ų | 134.5 | 88% | 0.882 | 75% | 0.754 | S | S | * | * | | | trans | -64.8 | 69.8 | -176.8 | -118 | -96.7 | 0 | 0 | 0 | 113.5 | | |
| 76 | H | 51.8 | Low | 56.5 | Low | 175 Ų | 175 | 137.1 Ų | 137.1 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | | | trans | -146.9 | 128.2 | 172.4 | -63.2 | -65.5 | 0 | 0 | 0 | 113.5 | S74 | S74-H76 VanDerWaalsContact C-N 3.32Å; S74-H76 PolarHBondContact O-N 2.73Å |
| 77 | G | 47.4 | Very low | 56.6 | Low | 70 Ų | 70 | 140.1 Ų | 140.1 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | | | trans | 124.3 | 87.4 | 154.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 78 | M | 56.9 | Low | 57.2 | Low | 173 Ų | 173 | 146.1 Ų | 146.1 | 85% | 0.852 | 77% | 0.774 | S | S | * | * | | | trans | -48.6 | 131.7 | 153.1 | -62.7 | -95.7 | 68.4 | 0 | 0 | 107.8 | S80 | M78-S80 PolarHBondContact O-N 2.94Š|
| 79 | P | 58.5 | Low | 58.3 | Low | 106 Ų | 106 | 146.1 Ų | 146.1 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | | | trans | -66 | 102.8 | 174 | 26.4 | -30.3 | 0 | 0 | 0 | 106.9 | L81 | P79-L81 PolarHBondContact O-N 2.93Š|
| 80 | S | 60.2 | Low | 59.1 | Low | 114 Ų | 114 | 140.1 Ų | 140.1 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | | | trans | -58.7 | 106.4 | 168 | -177.6 | 0 | 0 | 0 | 0 | 106.5 | M78 G82 | M78-S80 PolarHBondContact O-N 2.94Å; S80-G82 PolarHBondContact O-N 2.91Å |
| 81 | L | 62 | Low | 60.2 | Low | 165 Ų | 165 | 140.1 Ų | 140.1 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | | | trans | -67.9 | 86.2 | 167.1 | -62.8 | 174.5 | 0 | 0 | 0 | 105.1 | P79 | P79-L81 PolarHBondContact O-N 2.93Š|
| 82 | G | 64.1 | Low | 62 | Low | 42 Ų | 42 | 138.8 Ų | 138.8 | 43% | 0.433 | 77% | 0.767 | S | S | . | * | | | trans | -50.7 | 164.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | S80 | S80-G82 PolarHBondContact O-N 2.91Š|
| 83 | P | 67 | Low | 63.4 | Low | 112 Ų | 112 | 139.5 Ų | 139.5 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -49 | 137.8 | -179 | 22.3 | -33.1 | 0 | 0 | 0 | 109.7 | Q85 | P83-Q85 PolarHBondContact O-N 3.26Š|
| 84 | P | 62.6 | Low | 65 | Low | 117 Ų | 117 | 136.5 Ų | 136.5 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | | | trans | -54.5 | 114.9 | -178.2 | 20.7 | -30.7 | 0 | 0 | 0 | 107.4 | L86 | P84-L86 PolarHBondContact O-N 3.21Š|
| 85 | Q | 65.8 | Low | 67.1 | Low | 173 Ų | 173 | 137.2 Ų | 137.2 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | | | trans | -56.4 | 110.1 | 175.6 | -71 | -78.5 | 55.3 | 0 | 0 | 105.5 | P83 Q87 | P83-Q85 PolarHBondContact O-N 3.26Å; Q85-Q87 VanDerWaalsContact C-N 3.33Å; Q85-Q87 PolarHBondContact O-N 3Å |
| 86 | L | 65.8 | Low | 68.5 | Low | 162 Ų | 162 | 132.5 Ų | 132.5 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | | | trans | -53.7 | 105.9 | 175.5 | -68.3 | 172.2 | 0 | 0 | 0 | 105.5 | P84 R88 | P84-L86 PolarHBondContact O-N 3.21Å; L86-R88 PolarHBondContact O-N 3.12Å |
| 87 | Q | 66.1 | Low | 70 | Confident | 193 Ų | 193 | 133.1 Ų | 133.1 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | | | trans | -56.5 | 108.3 | 177.1 | -85.1 | -179.1 | -7.5 | 0 | 0 | 105.1 | Q85 E89 | Q85-Q87 VanDerWaalsContact C-N 3.33Å; Q85-Q87 PolarHBondContact O-N 3Å; Q87-E89 PolarHBondContact O-N 3.06Å |
| 88 | R | 69.3 | Low | 71.5 | Confident | 239 Ų | 239 | 138.4 Ų | 138.4 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -54 | 116.3 | 173.1 | -74.5 | -179.7 | 177 | 175.6 | -1.7 | 105.5 | L86 P90 | L86-R88 PolarHBondContact O-N 3.12Å; R88-P90 VanDerWaalsContact O-N 3.15Å |
| 89 | E | 68.8 | Low | 72.6 | Confident | 170 Ų | 170 | 137.5 Ų | 137.5 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 123.9 | 176.6 | -164.4 | -174.9 | 146.3 | 0 | 0 | 106.8 | Q87 | Q87-E89 PolarHBondContact O-N 3.06Š|
| 90 | P | 75 | Confident | 73.5 | Confident | 101 Ų | 101 | 138 Ų | 138 | 66% | 0.656 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 140.6 | 176.1 | 22.5 | -30.1 | 0 | 0 | 0 | 108.2 | R88 A92 | R88-P90 VanDerWaalsContact O-N 3.15Å; P90-A92 PolarHBondContact O-N 2.92Å |
| 91 | P | 77.4 | Confident | 74.1 | Confident | 125 Ų | 125 | 139.8 Ų | 139.8 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 133.7 | -178.9 | 22.2 | -32 | 0 | 0 | 0 | 109.7 | | |
| 92 | A | 82.8 | Confident | 74.7 | Confident | 83 Ų | 83 | 137.3 Ų | 137.3 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 140.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | P90 | P90-A92 PolarHBondContact O-N 2.92Š|
| 93 | P | 83.6 | Confident | 75 | Confident | 116 Ų | 116 | 144.7 Ų | 144.7 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62 | 149.4 | 178 | 26 | -33.3 | 0 | 0 | 0 | 110.5 | | |
| 94 | P | 84.6 | Confident | 74.9 | Confident | 113 Ų | 113 | 146 Ų | 146 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 151.1 | 178 | 27.2 | -34.1 | 0 | 0 | 0 | 110.8 | | |
| 95 | P | 87.4 | Confident | 75 | Confident | 108 Ų | 108 | 145.4 Ų | 145.4 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 148.7 | 178.4 | 26.9 | -34.1 | 0 | 0 | 0 | 111 | Q97 | P95-Q97 PolarHBondContact O-N 2.91Š|
| 96 | P | 81.9 | Confident | 74.9 | Confident | 126 Ų | 126 | 143 Ų | 143 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 128.7 | 176.8 | 24.4 | -32 | 0 | 0 | 0 | 110.2 | | |
| 97 | Q | 81.9 | Confident | 74.6 | Confident | 188 Ų | 188 | 141.7 Ų | 141.7 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 128.5 | 175.1 | -58.9 | -170.4 | 50.2 | 0 | 0 | 108.9 | P95 I99 | P95-Q97 PolarHBondContact O-N 2.91Å; Q97-I99 PolarHBondContact O-N 2.89Å |
| 98 | M | 80.3 | Confident | 74.3 | Confident | 181 Ų | 181 | 140.3 Ų | 140.3 | 89% | 0.892 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 123.7 | 172.8 | -61.8 | -154.5 | -37.9 | 0 | 0 | 109.7 | | |
| 99 | I | 79.3 | Confident | 74 | Confident | 154 Ų | 154 | 139.7 Ų | 139.7 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70 | 127.7 | 172.7 | -59.1 | 170.7 | 0 | 0 | 0 | 107.9 | Q97 L101 | Q97-I99 PolarHBondContact O-N 2.89Å; I99-L101 PolarHBondContact O-N 3.03Å |
| 100 | P | 76.8 | Confident | 73.5 | Confident | 115 Ų | 115 | 140.3 Ų | 140.3 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 125.6 | 175 | -23.7 | 33.8 | 0 | 0 | 0 | 110.9 | | |
| 101 | L | 73.4 | Confident | 72.5 | Confident | 153 Ų | 153 | 143.9 Ų | 143.9 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 130.5 | 174.5 | -132.6 | 74.9 | 0 | 0 | 0 | 109.2 | I99 K103 | I99-L101 PolarHBondContact O-N 3.03Å; L101-K103 PolarHBondContact O-N 3.12Å |
| 102 | P | 75.4 | Confident | 71 | Confident | 113 Ų | 113 | 142.8 Ų | 142.8 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 129.9 | 170.1 | -21 | 31.8 | 0 | 0 | 0 | 109.7 | D104 | P102-D104 VanDerWaalsContact C-N 3.32Š|
| 103 | K | 69.6 | Low | 69.6 | Low | 196 Ų | 196 | 150 Ų | 150 | 85% | 0.852 | 79% | 0.794 | S | S | * | * | | | trans | -84.6 | -2.6 | -175.6 | -76.4 | 177.2 | 176.5 | 172.7 | 0 | 114 | L101 | L101-K103 PolarHBondContact O-N 3.12Š|
| 104 | D | 64.8 | Low | 68.2 | Low | 141 Ų | 141 | 152.4 Ų | 152.4 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | | | trans | -110.9 | 122.1 | -171.9 | -59.1 | -55.4 | 0 | 0 | 0 | 110.7 | P102 | P102-D104 VanDerWaalsContact C-N 3.32Š|
| 105 | P | 65.1 | Low | 66.4 | Low | 104 Ų | 104 | 155.3 Ų | 155.3 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | | | trans | -64.9 | 144.8 | 167.6 | 27.7 | -31.8 | 0 | 0 | 0 | 109.2 | V107 | P105-V107 PolarHBondContact O-N 2.83Š|
| 106 | P | 63.4 | Low | 64.6 | Low | 121 Ų | 121 | 160.1 Ų | 160.1 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | | | trans | -60.8 | 116.4 | 173.5 | 25.5 | -31.6 | 0 | 0 | 0 | 108.2 | L108 | P106-L108 PolarHBondContact O-N 2.96Š|
| 107 | V | 60.5 | Low | 62.7 | Low | 136 Ų | 136 | 158.9 Ų | 158.9 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | | | trans | -61.5 | 105.4 | 169.5 | -179.5 | 0 | 0 | 0 | 0 | 106.5 | P105 R109 | P105-V107 PolarHBondContact O-N 2.83Å; V107-R109 PolarHBondContact O-N 3.35Å |
| 108 | L | 59.6 | Low | 61.2 | Low | 164 Ų | 164 | 157.2 Ų | 157.2 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | | | trans | -58.2 | 102.4 | 167.6 | -95.6 | 158.8 | 0 | 0 | 0 | 107 | P106 E110 | P106-L108 PolarHBondContact O-N 2.96Å; L108-E110 PolarHBondContact O-N 3.38Å |
| 109 | R | 61.7 | Low | 59.6 | Low | 226 Ų | 226 | 160.3 Ų | 160.3 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | | | trans | -65.9 | 104.2 | 174.9 | -148.6 | 177.2 | -176.5 | 179.4 | 0.3 | 106.6 | V107 H111 | V107-R109 PolarHBondContact O-N 3.35Å; R109-H111 PolarHBondContact O-N 3.03Å; R109-H111 VanDerWaalsContact O-N 3.12Å |
| 110 | E | 58.2 | Low | 57.6 | Low | 183 Ų | 183 | 156.8 Ų | 156.8 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | | | trans | -57.4 | 115.5 | 174.3 | -67.2 | -179.6 | 154 | 0 | 0 | 108.7 | L108 | L108-E110 PolarHBondContact O-N 3.38Š|
| 111 | H | 54.1 | Low | 55.7 | Low | 175 Ų | 175 | 154.8 Ų | 154.8 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | | | trans | -68.6 | 128.7 | 169.3 | -74.5 | -98.1 | 0 | 0 | 0 | 108.3 | R109 R113 | R109-H111 PolarHBondContact O-N 3.03Å; R109-H111 VanDerWaalsContact O-N 3.12Å; H111-R113 PolarHBondContact O-N 3Å |
| 112 | P | 46.4 | Very low | 54.7 | Low | 102 Ų | 102 | 151.8 Ų | 151.8 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | | | trans | -66.4 | 111.9 | 173.3 | 26.6 | -30.3 | 0 | 0 | 0 | 108.4 | E114 | P112-E114 PolarHBondContact O-N 3.34Å; P112-E114 HydrophobicContact CB-CG 4.15Å; P112-E114 VanDerWaalsContact C-N 3.27Å |
| 113 | R | 54 | Low | 53.2 | Low | 236 Ų | 236 | 154 Ų | 154 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | | | trans | -69.1 | 87.5 | 164.5 | -87.5 | -177.9 | 166.3 | 163.6 | -3.2 | 108 | H111 H115 | H111-R113 PolarHBondContact O-N 3Å; R113-H115 PolarHBondContact O-CD2 2.99Å; R113-H115 PolarHBondContact O-N 3.41Å |
| 114 | E | 54.8 | Low | 52.5 | Low | 166 Ų | 166 | 151.8 Ų | 151.8 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | trans | -90.7 | 91.6 | 169.7 | -59.5 | -168.2 | -148.1 | 0 | 0 | 109.7 | P112 | P112-E114 PolarHBondContact O-N 3.34Å; P112-E114 HydrophobicContact CB-CG 4.15Å; P112-E114 VanDerWaalsContact C-N 3.27Å |
| 115 | H | 46.4 | Very low | 52 | Low | 174 Ų | 174 | 152.6 Ų | 152.6 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | | | trans | 14.5 | 108.4 | 138.6 | -70.8 | -102.2 | 0 | 0 | 0 | 118.2 | R113 | R113-H115 PolarHBondContact O-CD2 2.99Å; R113-H115 PolarHBondContact O-N 3.41Å |
| 116 | R | 48.2 | Very low | 51.2 | Low | 209 Ų | 209 | 150.7 Ų | 150.7 | 79% | 0.789 | 80% | 0.802 | S | S | * | * | | | | 38.5 | 93.2 | 123.1 | -164.1 | 179.9 | -162.9 | -169.5 | 2.1 | 116.3 | H118 | R116-H118 PolarHBondContact NE-CD2 3.31Å; R116-H118 PolarHBondContact NE-NE2 3.12Å |
| 117 | A | 43 | Very low | 50.8 | Low | 100 Ų | 100 | 150.9 Ų | 150.9 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | | | trans | -119 | 93.7 | 149.4 | 0 | 0 | 0 | 0 | 0 | 109 | R119 | A117-R119 PolarHBondContact O-N 3.1Å; A117-R119 VanDerWaalsContact O-N 3.13Å |
| 118 | H | 51.3 | Low | 50.6 | Low | 153 Ų | 153 | 152.3 Ų | 152.3 | 71% | 0.708 | 81% | 0.806 | S | S | * | * | | | trans | -67.5 | 100.7 | 158.7 | -70.2 | -82.7 | 0 | 0 | 0 | 107.7 | R116 | R116-H118 PolarHBondContact NE-CD2 3.31Å; R116-H118 PolarHBondContact NE-NE2 3.12Å |
| 119 | R | 45.7 | Very low | 50.6 | Low | 246 Ų | 246 | 149.5 Ų | 149.5 | 93% | 0.928 | 80% | 0.8 | S | S | * | * | | | trans | -167.3 | 112.5 | 153.8 | -117.5 | 178.9 | -160.6 | -149.3 | 3.3 | 112.2 | A117 | A117-R119 PolarHBondContact O-N 3.1Å; A117-R119 VanDerWaalsContact O-N 3.13Å |
| 120 | G | 37.7 | Very low | 50.3 | Low | 80 Ų | 80 | 144.2 Ų | 144.2 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | 108 | 125.9 | 137.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 121 | G | 36.7 | Very low | 50.2 | Low | 72 Ų | 72 | 143.8 Ų | 143.8 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | | | trans | 82.3 | 105.1 | 156 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 122 | A | 52.3 | Low | 50.3 | Low | 90 Ų | 90 | 144.2 Ų | 144.2 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | | | | 49.2 | 95.3 | 76.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 123 | D | 44.3 | Very low | 50.9 | Low | 160 Ų | 160 | 141.7 Ų | 141.7 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | | | | -173.1 | 134.1 | 116.4 | -77.3 | -35.7 | 0 | 0 | 0 | 109 | | |
| 124 | D | 53.7 | Low | 50.8 | Low | 149 Ų | 149 | 135.6 Ų | 135.6 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | -54.7 | 163.1 | -178.6 | -81 | -102.8 | 0 | 0 | 0 | 116.1 | | |
| 125 | D | 54.9 | Low | 50.9 | Low | 158 Ų | 158 | 135.4 Ų | 135.4 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | | | trans | 75.3 | 69.1 | 156.9 | -67.7 | -52.4 | 0 | 0 | 0 | 119 | | |
| 126 | G | 47.5 | Very low | 51.7 | Low | 65 Ų | 65 | 137 Ų | 137 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | | | trans | -100.2 | 132.6 | 148.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | D128 | G126-D128 PolarHBondContact O-N 2.8Š|
| 127 | P | 55.2 | Low | 52.4 | Low | 124 Ų | 124 | 134.4 Ų | 134.4 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | | | trans | -57.6 | 132.3 | -176.5 | 24.9 | -33.6 | 0 | 0 | 0 | 110 | S129 | P127-S129 PolarHBondContact O-N 2.86Š|
| 128 | D | 57.5 | Low | 53.7 | Low | 166 Ų | 166 | 137.1 Ų | 137.1 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | | | trans | -34.6 | 107.5 | 178.1 | -93.4 | -36.1 | 0 | 0 | 0 | 110.8 | G126 | G126-D128 PolarHBondContact O-N 2.8Š|
| 129 | S | 58.4 | Low | 54.3 | Low | 105 Ų | 105 | 137.5 Ų | 137.5 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | trans | -58.1 | 125.7 | 162.7 | -74 | 0 | 0 | 0 | 0 | 106.1 | P127 E131 | P127-S129 PolarHBondContact O-N 2.86Å; S129-E131 PolarHBondContact O-N 2.8Å |
| 130 | P | 56.2 | Low | 54.7 | Low | 116 Ų | 116 | 138.4 Ų | 138.4 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | | | trans | -59.6 | 112.3 | 174.9 | 24.8 | -31.5 | 0 | 0 | 0 | 106.7 | E132 | P130-E132 PolarHBondContact O-N 2.75Š|
| 131 | E | 56.7 | Low | 55.5 | Low | 174 Ų | 174 | 141.3 Ų | 141.3 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | | | trans | -34.5 | 111.1 | 159.7 | 170.3 | -166.7 | 151 | 0 | 0 | 107.7 | S129 G133 | S129-E131 PolarHBondContact O-N 2.8Å; E131-G133 PolarHBondContact O-N 2.98Å |
| 132 | E | 55.6 | Low | 56.5 | Low | 183 Ų | 183 | 144.9 Ų | 144.9 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | | | trans | -63.8 | 89.9 | 167.4 | -60.9 | -165.4 | 147.4 | 0 | 0 | 106.2 | P130 T134 | P130-E132 PolarHBondContact O-N 2.75Å; E132-T134 VanDerWaalsContact C-N 3.27Å; E132-T134 PolarHBondContact O-N 3.35Å |
| 133 | G | 58 | Low | 56.7 | Low | 49 Ų | 49 | 148 Ų | 148 | 51% | 0.505 | 81% | 0.808 | S | S | . | * | | | trans | -61.1 | 91.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | E131 L135 | E131-G133 PolarHBondContact O-N 2.98Å; G133-L135 PolarHBondContact O-N 3.39Å |
| 134 | T | 52.9 | Low | 57.5 | Low | 108 Ų | 108 | 147.3 Ų | 147.3 | 66% | 0.663 | 81% | 0.805 | S | S | * | * | | | trans | -58.5 | 95.8 | 155.3 | 39.6 | 0 | 0 | 0 | 0 | 106.5 | E132 R136 | E132-T134 VanDerWaalsContact C-N 3.27Å; E132-T134 PolarHBondContact O-N 3.35Å; T134-R136 PolarHBondContact O-N 3.13Å |
| 135 | L | 56 | Low | 57.7 | Low | 162 Ų | 162 | 147.2 Ų | 147.2 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | | | trans | -57.4 | 94.7 | 167 | -69.7 | 172.4 | 0 | 0 | 0 | 106.8 | G133 I137 | G133-L135 PolarHBondContact O-N 3.39Å; L135-I137 PolarHBondContact O-N 2.86Å; L135-I137 VanDerWaalsContact O-N 3.12Å |
| 136 | R | 63.5 | Low | 57.9 | Low | 209 Ų | 209 | 146.5 Ų | 146.5 | 79% | 0.789 | 80% | 0.803 | S | S | * | * | | | trans | -67.6 | 105.6 | 162.7 | -68.1 | -173.2 | 172.8 | 98.2 | 2.3 | 104.7 | T134 D138 | T134-R136 PolarHBondContact O-N 3.13Å; R136-D138 VanDerWaalsContact C-N 3.33Å; R136-D138 PolarHBondContact O-N 2.95Å; R136-D138 VanDerWaalsContact O-N 3.1Å |
| 137 | I | 64.2 | Low | 58.6 | Low | 154 Ų | 154 | 152.3 Ų | 152.3 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | | | trans | -73 | 98.5 | 169.9 | -53.6 | 161.7 | 0 | 0 | 0 | 104.1 | L135 D139 | L135-I137 PolarHBondContact O-N 2.86Å; L135-I137 VanDerWaalsContact O-N 3.12Å; I137-D139 PolarHBondContact O-N 3.31Å |
| 138 | D | 68.6 | Low | 58.9 | Low | 157 Ų | 157 | 154.5 Ų | 154.5 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | | | trans | -69.6 | 113.7 | 164.4 | -84.2 | -50.9 | 0 | 0 | 0 | 107 | R136 | R136-D138 VanDerWaalsContact C-N 3.33Å; R136-D138 PolarHBondContact O-N 2.95Å; R136-D138 VanDerWaalsContact O-N 3.1Å |
| 139 | D | 64.9 | Low | 59 | Low | 161 Ų | 161 | 153.5 Ų | 153.5 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | | | trans | -97.7 | 94.4 | 172.1 | -173.3 | 55.7 | 0 | 0 | 0 | 106.8 | I137 | I137-D139 PolarHBondContact O-N 3.31Š|
| 140 | E | 53.3 | Low | 59.1 | Low | 264 Ų | 264 | 157.9 Ų | 157.9 | 100% | 1.234 | 81% | 0.814 | S | S | * | * | | | trans | -149 | 0 | 159.9 | -162.9 | 171.6 | 97.5 | 0 | 0 | 111.3 | | |