| 1 | E | 45.2 | Very low | 65.9 | Low | 238 Ų | 238 | 163.8 Ų | 163.8 | 100% | 1.112 | 84% | 0.841 | S | S | * | * | | | | 0 | 115.7 | 0 | -76.8 | 174.8 | 117.6 | 0 | 0 | 110.5 | | |
| 2 | S | 50.9 | Low | 66.1 | Low | 105 Ų | 105 | 164.8 Ų | 164.8 | 73% | 0.734 | 84% | 0.839 | S | S | * | * | | | trans | -124.2 | 99.3 | 168.1 | 57.3 | 0 | 0 | 0 | 0 | 107.4 | K4 | S2-K4 PolarHBondContact O-N 3.5Š|
| 3 | K | 61.3 | Low | 65.9 | Low | 199 Ų | 199 | 164.6 Ų | 164.6 | 87% | 0.865 | 84% | 0.841 | S | S | * | * | | | trans | -72.4 | 73.8 | 167.2 | -69.6 | 180 | -178.1 | 173.3 | 0 | 107.8 | A5 | K3-A5 PolarHBondContact O-N 3.47Š|
| 4 | K | 62.7 | Low | 65.7 | Low | 190 Ų | 190 | 162 Ų | 162 | 83% | 0.826 | 84% | 0.837 | S | S | * | * | | | trans | -67.2 | 93.2 | 160 | -85.3 | -171.7 | 175.5 | -179.9 | 0 | 105.4 | S2 L6 | S2-K4 PolarHBondContact O-N 3.5Å; K4-L6 PolarHBondContact O-N 3.34Å |
| 5 | A | 68.5 | Low | 65 | Low | 92 Ų | 92 | 155.2 Ų | 155.2 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 133.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | K3 | K3-A5 PolarHBondContact O-N 3.47Š|
| 6 | L | 72.3 | Confident | 64.5 | Low | 161 Ų | 161 | 152.4 Ų | 152.4 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 146.4 | 175.9 | -70.9 | 164.6 | 0 | 0 | 0 | 109.7 | K4 | K4-L6 PolarHBondContact O-N 3.34Š|
| 7 | P | 72.1 | Confident | 64.2 | Low | 107 Ų | 107 | 155.2 Ų | 155.2 | 70% | 0.695 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 143.8 | 174.9 | 26.5 | -33.6 | 0 | 0 | 0 | 109.5 | E9 | P7-E9 PolarHBondContact O-N 2.91Š|
| 8 | P | 70.6 | Confident | 63.8 | Low | 124 Ų | 124 | 157.9 Ų | 157.9 | 81% | 0.805 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 132.8 | -176.7 | 24.2 | -33.4 | 0 | 0 | 0 | 110.6 | K10 | P8-K10 PolarHBondContact O-N 3.08Š|
| 9 | E | 74.9 | Confident | 63.4 | Low | 186 Ų | 186 | 154.9 Ų | 154.9 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 127.2 | 175.5 | -75.1 | -178 | 166.4 | 0 | 0 | 110.2 | P7 K11 | P7-E9 PolarHBondContact O-N 2.91Å; E9-K11 PolarHBondContact O-N 2.88Å |
| 10 | K | 72.8 | Confident | 62.9 | Low | 206 Ų | 206 | 153.5 Ų | 153.5 | 90% | 0.896 | 81% | 0.813 | S | S | * | * | | | trans | -66.3 | 102.1 | 170.7 | -69 | 179.6 | -179.2 | 175.6 | 0 | 107.7 | P8 Q12 | P8-K10 PolarHBondContact O-N 3.08Å; K10-Q12 PolarHBondContact O-N 2.99Å |
| 11 | K | 74.2 | Confident | 62.6 | Low | 194 Ų | 194 | 155.5 Ų | 155.5 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | | | trans | -50.9 | 129.3 | 169.9 | -65.8 | -174.6 | 178 | -176.3 | 0 | 108.7 | E9 N13 | E9-K11 PolarHBondContact O-N 2.88Å; K11-N13 PolarHBondContact O-N 3.47Å; K11-N13 VanDerWaalsContact O-N 3.17Å |
| 12 | Q | 67.4 | Low | 63.3 | Low | 175 Ų | 175 | 150.3 Ų | 150.3 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -56.4 | 123.9 | 171.8 | -84.1 | 179.5 | -15 | 0 | 0 | 108.3 | K10 T14 | K10-Q12 PolarHBondContact O-N 2.99Å; Q12-T14 PolarHBondContact O-N 3.2Å |
| 13 | N | 64 | Low | 63.8 | Low | 163 Ų | 163 | 155.1 Ų | 155.1 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | | | trans | -65.9 | 88.8 | 169.6 | -82.2 | -29.7 | 0 | 0 | 0 | 108.3 | K11 G15 | K11-N13 PolarHBondContact O-N 3.47Å; K11-N13 VanDerWaalsContact O-N 3.17Å; N13-G15 PolarHBondContact O-N 3.23Å |
| 14 | T | 62.7 | Low | 63.3 | Low | 128 Ų | 128 | 151.4 Ų | 151.4 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | trans | -74.9 | 29.5 | 162.2 | 53.5 | 0 | 0 | 0 | 0 | 111.1 | Q12 S16 | Q12-T14 PolarHBondContact O-N 3.2Å; T14-S16 PolarHBondContact O-N 3.26Å |
| 15 | G | 54.9 | Low | 62.8 | Low | 60 Ų | 60 | 145 Ų | 145 | 62% | 0.619 | 79% | 0.789 | S | S | * | * | | | trans | -67.3 | 87.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | N13 K17 | N13-G15 PolarHBondContact O-N 3.23Å; G15-K17 PolarHBondContact O-N 3.16Å |
| 16 | S | 57.7 | Low | 62.2 | Low | 111 Ų | 111 | 149.4 Ų | 149.4 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | -44.7 | 110.3 | 164.3 | 51.8 | 0 | 0 | 0 | 0 | 107.2 | T14 K18 | T14-S16 PolarHBondContact O-N 3.26Å; S16-K18 PolarHBondContact O-N 2.9Å |
| 17 | K | 60.2 | Low | 61.4 | Low | 200 Ų | 200 | 146 Ų | 146 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | | | trans | -44.7 | 115.9 | 170.8 | -69.6 | 177.3 | -179.7 | 174.5 | 0 | 105.8 | G15 S19 | G15-K17 PolarHBondContact O-N 3.16Å; K17-S19 PolarHBondContact O-N 3.31Å |
| 18 | K | 56.3 | Low | 60.8 | Low | 204 Ų | 204 | 149.5 Ų | 149.5 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | | | trans | -46.9 | 108.3 | 174 | -167.4 | 175.2 | -172.1 | 175.9 | 0 | 105.3 | S16 N20 | S16-K18 PolarHBondContact O-N 2.9Å; K18-N20 PolarHBondContact O-N 3.01Å |
| 19 | S | 55.8 | Low | 60.2 | Low | 100 Ų | 100 | 153.3 Ų | 153.3 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | | | trans | -58.9 | 119.5 | -176.8 | 53.7 | 0 | 0 | 0 | 0 | 105.1 | K17 K21 | K17-S19 PolarHBondContact O-N 3.31Å; S19-K21 PolarHBondContact O-N 2.94Å |
| 20 | N | 53.5 | Low | 59.4 | Low | 127 Ų | 127 | 150.1 Ų | 150.1 | 68% | 0.679 | 77% | 0.774 | S | S | * | * | | | trans | -61.5 | 100.7 | 173.2 | -168.5 | -0.2 | 0 | 0 | 0 | 104.4 | K18 N22 K23 | K18-N20 PolarHBondContact O-N 3.01Å; N20-N22 PolarHBondContact O-N 2.84Å; N20-K23 PolarHBondContact O-N 3.39Å |
| 21 | K | 57.5 | Low | 58.7 | Low | 195 Ų | 195 | 149.3 Ų | 149.3 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -69.5 | 26.8 | -178.2 | -156.1 | 178.4 | -174.7 | 177.3 | 0 | 111.6 | S19 | S19-K21 PolarHBondContact O-N 2.94Š|
| 22 | N | 59.3 | Low | 57.3 | Low | 130 Ų | 130 | 144 Ų | 144 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -122.2 | 43.9 | 174.4 | -66.4 | -15.7 | 0 | 0 | 0 | 109.4 | N20 | N20-N22 PolarHBondContact O-N 2.84Š|
| 23 | K | 60.4 | Low | 56.5 | Low | 205 Ų | 205 | 139.8 Ų | 139.8 | 89% | 0.891 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -172.2 | 76.8 | 155.3 | -112.3 | 152.5 | 178.3 | 167.3 | 0 | 113 | N20 | N20-K23 PolarHBondContact O-N 3.39Š|
| 24 | S | 51.5 | Low | 56 | Low | 122 Ų | 122 | 134.6 Ų | 134.6 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | | | trans | -167 | 114.4 | 151.9 | -178.8 | 0 | 0 | 0 | 0 | 104.4 | | |
| 25 | G | 51.9 | Low | 55.3 | Low | 55 Ų | 55 | 138 Ų | 138 | 57% | 0.567 | 76% | 0.761 | S | S | * | * | | | cis | 121.4 | 95.4 | 49.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 26 | K | 55.3 | Low | 55.4 | Low | 185 Ų | 185 | 147 Ų | 147 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | 57.8 | 129.1 | 158.3 | -59.4 | 176.7 | -179.6 | 176.4 | 0 | 118.7 | R31 | K26-R31 PolarHBondContact O-NH2 3.29Š|
| 27 | N | 56.4 | Low | 55.1 | Low | 88 Ų | 88 | 144.6 Ų | 144.6 | 47% | 0.471 | 77% | 0.769 | S | S | . | * | | | trans | 57.4 | 89.8 | 149.2 | -69.2 | -15 | 0 | 0 | 0 | 116.8 | N30 R31 | N27-N30 HydrophobicContact CB-CB 4.11Å; N27-R31 PolarHBondContact O-NE 3.04Å |
| 28 | Q | 59.4 | Low | 54.8 | Low | 182 Ų | 182 | 147.2 Ų | 147.2 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -101.8 | -9.9 | 148.1 | -70.1 | -159.8 | -47.8 | 0 | 0 | 113.2 | N30 | Q28-N30 VanDerWaalsContact C-N 3.32Š|
| 29 | F | 57.8 | Low | 54.2 | Low | 203 Ų | 203 | 140.9 Ų | 140.9 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -86.7 | -1 | 169.9 | -61.4 | -67.8 | 0 | 0 | 0 | 113.7 | | |
| 30 | N | 59.3 | Low | 54.1 | Low | 119 Ų | 119 | 139 Ų | 139 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -144.7 | 65.9 | -178 | -70.6 | -54.2 | 0 | 0 | 0 | 111.5 | N27 Q28 | N27-N30 HydrophobicContact CB-CB 4.11Å; Q28-N30 VanDerWaalsContact C-N 3.32Å |
| 31 | R | 56.2 | Low | 53.9 | Low | 189 Ų | 189 | 142.3 Ų | 142.3 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -136.3 | 100.2 | 162.5 | -68.9 | -169.7 | -149 | -178.5 | 1.5 | 110.3 | K26 N27 | K26-R31 PolarHBondContact O-NH2 3.29Å; N27-R31 PolarHBondContact O-NE 3.04Å |
| 32 | G | 45.9 | Very low | 53.8 | Low | 83 Ų | 83 | 139.9 Ų | 139.9 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | | | trans | 71.1 | 94.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 33 | G | 50 | Low | 53.6 | Low | 87 Ų | 87 | 142.3 Ų | 142.3 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | | | cis | 89.9 | 83.4 | 39.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 34 | G | 53.5 | Low | 53.7 | Low | 54 Ų | 54 | 144.3 Ų | 144.3 | 56% | 0.557 | 78% | 0.779 | S | S | * | * | | | trans | 116.7 | 81.3 | 145.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 35 | H | 48.2 | Very low | 53.6 | Low | 200 Ų | 200 | 141.3 Ų | 141.3 | 93% | 0.926 | 77% | 0.767 | S | S | * | * | | | trans | -117.2 | 90.7 | 133.1 | -75.2 | 46.7 | 0 | 0 | 0 | 106.6 | | |
| 36 | R | 57.9 | Low | 53.8 | Low | 247 Ų | 247 | 141.7 Ų | 141.7 | 93% | 0.932 | 77% | 0.771 | S | S | * | * | | | trans | -68.4 | 122.5 | 164.2 | -65.4 | 170.8 | -179.1 | 164 | -0.6 | 106.4 | | |
| 37 | G | 51.2 | Low | 53.8 | Low | 61 Ų | 61 | 139 Ų | 139 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | | | trans | -179.1 | 82.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 38 | R | 52.6 | Low | 53.8 | Low | 256 Ų | 256 | 144.5 Ų | 144.5 | 97% | 0.966 | 79% | 0.786 | S | S | * | * | | | trans | 76.2 | 119.8 | 151.5 | -45.6 | 172.2 | -164.7 | -100 | 2.4 | 113.5 | | |
| 39 | G | 45.1 | Very low | 54.2 | Low | 70 Ų | 70 | 147 Ų | 147 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | | | cis | 133.7 | 126.4 | 24.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 40 | G | 52.3 | Low | 53.9 | Low | 62 Ų | 62 | 140.2 Ų | 140.2 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | | | trans | 76 | 140.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 41 | F | 49.5 | Very low | 53.8 | Low | 195 Ų | 195 | 138.6 Ų | 138.6 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | | | cis | -153.3 | 148.2 | 16.4 | -61.9 | -85.8 | 0 | 0 | 0 | 108 | M43 | F41-M43 PolarHBondContact O-N 3.34Å; F41-M43 VanDerWaalsContact O-N 3.13Å |
| 42 | N | 56.2 | Low | 53.3 | Low | 145 Ų | 145 | 134.2 Ų | 134.2 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | | | trans | -45.9 | 114.4 | 163 | -63.1 | -70.2 | 0 | 0 | 0 | 110.9 | | |
| 43 | M | 54 | Low | 53.7 | Low | 180 Ų | 180 | 136.5 Ų | 136.5 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | | | trans | -131 | 32.7 | 144.4 | -65.5 | -63.8 | -172.6 | 0 | 0 | 109.7 | F41 G45 | F41-M43 PolarHBondContact O-N 3.34Å; F41-M43 VanDerWaalsContact O-N 3.13Å; M43-G45 PolarHBondContact O-N 3.08Å |
| 44 | R | 62.8 | Low | 53.9 | Low | 248 Ų | 248 | 135.4 Ų | 135.4 | 94% | 0.936 | 78% | 0.778 | S | S | * | * | | | trans | -80.8 | 77.5 | 150.8 | -87.2 | -177.5 | 179.9 | -171.8 | -0.5 | 106.5 | | |
| 45 | G | 49.4 | Very low | 54.1 | Low | 59 Ų | 59 | 140.5 Ų | 140.5 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -173.6 | 73.9 | -172 | 0 | 0 | 0 | 0 | 0 | 112.2 | M43 | M43-G45 PolarHBondContact O-N 3.08Š|
| 46 | G | 56.5 | Low | 54.6 | Low | 62 Ų | 62 | 143 Ų | 143 | 64% | 0.639 | 79% | 0.794 | S | S | * | * | | | trans | 69.3 | 96.7 | 144.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 47 | N | 55.3 | Low | 54.3 | Low | 129 Ų | 129 | 134.6 Ų | 134.6 | 69% | 0.69 | 78% | 0.784 | S | S | * | * | | | trans | -139 | 51.4 | 143 | -69.3 | 105.2 | 0 | 0 | 0 | 110.8 | R49 G50 | N47-R49 VanDerWaalsContact C-N 3.29Å; N47-R49 PolarHBondContact ND2-O 3.06Å; N47-R49 PolarHBondContact O-N 2.88Å; N47-G50 VanDerWaalsContact ND2-O 3.07Å; N47-G50 PolarHBondContact ND2-O 3.14Å |
| 48 | F | 56.7 | Low | 54.7 | Low | 204 Ų | 204 | 133.7 Ų | 133.7 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -66.7 | 105.1 | 131.3 | -70.1 | -84.9 | 0 | 0 | 0 | 104.7 | | |
| 49 | R | 67.3 | Low | 54.3 | Low | 234 Ų | 234 | 131 Ų | 131 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 85.3 | 125.3 | -176.6 | -47.1 | 171.9 | -170.1 | -155.4 | 1.3 | 114.2 | N47 | N47-R49 VanDerWaalsContact C-N 3.29Å; N47-R49 PolarHBondContact ND2-O 3.06Å; N47-R49 PolarHBondContact O-N 2.88Å |
| 50 | G | 50.8 | Low | 54.5 | Low | 60 Ų | 60 | 135.8 Ų | 135.8 | 62% | 0.619 | 78% | 0.775 | S | S | * | * | | | trans | 106.5 | 74.1 | 157.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | N47 | N47-G50 VanDerWaalsContact ND2-O 3.07Å; N47-G50 PolarHBondContact ND2-O 3.14Å |
| 51 | G | 59 | Low | 54.7 | Low | 85 Ų | 85 | 143 Ų | 143 | 88% | 0.876 | 78% | 0.783 | S | S | * | * | | | trans | 57.6 | 112.9 | 130.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 52 | A | 45.2 | Very low | 54.9 | Low | 98 Ų | 98 | 145.3 Ų | 145.3 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | | | trans | -133.7 | 148.9 | 144.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 53 | P | 54 | Low | 54.6 | Low | 130 Ų | 130 | 141.8 Ų | 141.8 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -98.5 | 107.9 | -138.6 | 34.6 | -28.8 | 0 | 0 | 0 | 111.6 | | |
| 54 | G | 55.3 | Low | 54.8 | Low | 64 Ų | 64 | 141.2 Ų | 141.2 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -177.7 | 61.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 55 | N | 56.9 | Low | 54.3 | Low | 161 Ų | 161 | 137.7 Ų | 137.7 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | | | trans | 157.3 | 67.8 | 155.3 | -83.4 | -23.8 | 0 | 0 | 0 | 109.4 | | |
| 56 | R | 58.1 | Low | 54.5 | Low | 254 Ų | 254 | 140.1 Ų | 140.1 | 96% | 0.958 | 79% | 0.786 | S | S | * | * | | | trans | -83.4 | 111.5 | 152.5 | -68.8 | -174.1 | -158.8 | 145.1 | 3.5 | 106.2 | | |
| 57 | G | 51.8 | Low | 54.2 | Low | 70 Ų | 70 | 146 Ų | 146 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | | | trans | 125.3 | 38 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 58 | G | 58.9 | Low | 54.4 | Low | 41 Ų | 41 | 152 Ų | 152 | 42% | 0.423 | 81% | 0.81 | S | S | . | * | | | trans | -60.3 | 155.5 | 140.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 59 | Y | 45.7 | Very low | 54.2 | Low | 201 Ų | 201 | 145.6 Ų | 145.6 | 79% | 0.788 | 80% | 0.801 | S | S | * | * | | | trans | 73.3 | 77.9 | 172.1 | 34.2 | -83 | 0 | 0 | 0 | 118.6 | | |
| 60 | N | 48 | Very low | 53.4 | Low | 169 Ų | 169 | 138.6 Ų | 138.6 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | | | | -100.8 | 102.6 | 117 | -76.4 | -41.7 | 0 | 0 | 0 | 105 | R62 | N60-R62 VanDerWaalsContact C-N 3.35Š|
| 61 | R | 57.3 | Low | 53.3 | Low | 214 Ų | 214 | 139.8 Ų | 139.8 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | | | cis | 53.8 | 37.1 | 41.5 | -70.5 | -78.4 | -91.3 | -114.4 | 0.8 | 113.7 | | |
| 62 | R | 54.8 | Low | 52.6 | Low | 243 Ų | 243 | 139.4 Ų | 139.4 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | | | trans | 171.2 | 120.1 | 143.7 | -95 | 169.3 | -79.5 | -169.9 | 2.6 | 112.1 | N60 | N60-R62 VanDerWaalsContact C-N 3.35Š|
| 63 | G | 49.1 | Very low | 53 | Low | 72 Ų | 72 | 139.1 Ų | 139.1 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | | | trans | 75.3 | 107.1 | 136.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | M65 | G63-M65 PolarHBondContact O-N 2.95Š|
| 64 | N | 58.5 | Low | 52.7 | Low | 168 Ų | 168 | 136.4 Ų | 136.4 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | | | trans | 20.2 | 94.4 | 131.1 | -160.2 | 61.7 | 0 | 0 | 0 | 117.8 | | |
| 65 | M | 52 | Low | 52.6 | Low | 173 Ų | 173 | 139.3 Ų | 139.3 | 85% | 0.852 | 82% | 0.823 | S | S | * | * | | | trans | -145.1 | 119.8 | 155.9 | -155.8 | 170.9 | -162.7 | 0 | 0 | 109.4 | G63 Q67 | G63-M65 PolarHBondContact O-N 2.95Å; M65-Q67 PolarHBondContact O-N 3.29Å |
| 66 | P | 54.1 | Low | 52.4 | Low | 111 Ų | 111 | 135.4 Ų | 135.4 | 72% | 0.721 | 82% | 0.821 | S | S | * | * | | | trans | -70.2 | 123.5 | 160.8 | 27.7 | -28.3 | 0 | 0 | 0 | 107.5 | R68 | P66-R68 VanDerWaalsContact C-N 3.31Å; P66-R68 PolarHBondContact O-N 3.17Å |
| 67 | Q | 49.3 | Very low | 51.9 | Low | 186 Ų | 186 | 127 Ų | 127 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | | | trans | -60.5 | 98.4 | 168.7 | -77.2 | -174.5 | 49.5 | 0 | 0 | 108.2 | M65 G69 | M65-Q67 PolarHBondContact O-N 3.29Å; Q67-G69 PolarHBondContact O-N 2.99Å; Q67-G69 VanDerWaalsContact O-N 3.13Å |
| 68 | R | 60.7 | Low | 51.7 | Low | 254 Ų | 254 | 132.3 Ų | 132.3 | 96% | 0.958 | 82% | 0.823 | S | S | * | * | | | trans | -69.1 | 101.5 | 165.4 | -168.7 | -176.9 | -158.7 | -169.5 | 5.7 | 106.7 | P66 | P66-R68 VanDerWaalsContact C-N 3.31Å; P66-R68 PolarHBondContact O-N 3.17Å |
| 69 | G | 50.6 | Low | 51.2 | Low | 69 Ų | 69 | 132.9 Ų | 132.9 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | | | trans | 123.9 | 116.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q67 | Q67-G69 PolarHBondContact O-N 2.99Å; Q67-G69 VanDerWaalsContact O-N 3.13Å |
| 70 | G | 51.4 | Low | 51 | Low | 88 Ų | 88 | 133.9 Ų | 133.9 | 91% | 0.907 | 83% | 0.833 | S | S | * | * | | | trans | 134.9 | 82 | 160.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 71 | G | 49.6 | Very low | 51.5 | Low | 84 Ų | 84 | 131 Ų | 131 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | | | trans | 170.7 | 91.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 72 | G | 44 | Very low | 50.4 | Low | 77 Ų | 77 | 131 Ų | 131 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | | | trans | 176.2 | 76 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G74 | G72-G74 PolarHBondContact O-N 3.45Š|
| 73 | G | 52.1 | Low | 50.4 | Low | 93 Ų | 93 | 125.2 Ų | 125.2 | 96% | 0.959 | 82% | 0.818 | S | S | * | * | | | trans | -61.2 | 124 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 74 | G | 47.9 | Very low | 50.9 | Low | 72 Ų | 72 | 133.6 Ų | 133.6 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | | | trans | -149.6 | 117.2 | 176 | 0 | 0 | 0 | 0 | 0 | 108.7 | G72 | G72-G74 PolarHBondContact O-N 3.45Š|
| 75 | S | 53.1 | Low | 50.3 | Low | 125 Ų | 125 | 129.2 Ų | 129.2 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | | | trans | -32.9 | 142.5 | 177.6 | -174.3 | 0 | 0 | 0 | 0 | 115.4 | | |
| 76 | G | 53.3 | Low | 50.6 | Low | 80 Ų | 80 | 126.1 Ų | 126.1 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | | | trans | -50.1 | 146.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 77 | G | 47.4 | Very low | 50.5 | Low | 77 Ų | 77 | 127.3 Ų | 127.3 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | | | trans | -178.8 | 98.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 78 | I | 48.5 | Very low | 50.5 | Low | 181 Ų | 181 | 126.8 Ų | 126.8 | 93% | 0.928 | 81% | 0.808 | S | S | * | * | | | trans | -62.6 | 136 | 173.9 | -64.3 | 172.1 | 0 | 0 | 0 | 109.6 | | |
| 79 | G | 48.8 | Very low | 49.9 | Very low | 53 Ų | 53 | 120.7 Ų | 120.7 | 55% | 0.546 | 80% | 0.801 | S | S | . | * | | | trans | 93.2 | 103.9 | 142.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 80 | Y | 39.7 | Very low | 49.7 | Very low | 223 Ų | 223 | 120.8 Ų | 120.8 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | | | trans | 75.4 | 153.9 | 141.1 | -63 | -67.9 | 0 | 0 | 0 | 121.3 | | |
| 81 | P | 59.2 | Low | 49.8 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | | | trans | -97.6 | 120.1 | -149 | 35.9 | -27.5 | 0 | 0 | 0 | 111.5 | | |
| 82 | Y | 35.3 | Very low | 50 | Low | 215 Ų | 215 | 128.2 Ų | 128.2 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | trans | -133.1 | 145.9 | 166 | -76 | -78.7 | 0 | 0 | 0 | 110.5 | R84 | Y82-R84 PolarHBondContact O-N 2.84Š|
| 83 | P | 53.6 | Low | 50.2 | Low | 120 Ų | 120 | 130.6 Ų | 130.6 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | | | trans | -64.6 | 133.3 | -164 | 25.6 | -33.4 | 0 | 0 | 0 | 110.7 | A85 | P83-A85 PolarHBondContact O-N 3.02Š|
| 84 | R | 58.9 | Low | 50.1 | Low | 249 Ų | 249 | 135.6 Ų | 135.6 | 94% | 0.94 | 80% | 0.795 | S | S | * | * | | | trans | -55.6 | 108.6 | 175.8 | -70.7 | 175.6 | 172.7 | -141.8 | -2.3 | 109.4 | Y82 | Y82-R84 PolarHBondContact O-N 2.84Š|
| 85 | A | 47.2 | Very low | 50.2 | Low | 75 Ų | 75 | 137.4 Ų | 137.4 | 62% | 0.62 | 80% | 0.797 | S | S | * | * | | | trans | -59.1 | 145.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | P83 V87 | P83-A85 PolarHBondContact O-N 3.02Å; A85-V87 PolarHBondContact O-N 2.78Å |
| 86 | P | 57.6 | Low | 50 | Low | 109 Ų | 109 | 136.5 Ų | 136.5 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | | | trans | -66.6 | 109.2 | 175 | 26.9 | -32.3 | 0 | 0 | 0 | 109.4 | F88 | P86-F88 PolarHBondContact O-N 2.82Å; P86-F88 VanDerWaalsContact O-N 3.08Å |
| 87 | V | 51.9 | Low | 50 | Low | 136 Ų | 136 | 144.1 Ų | 144.1 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | | | trans | -76.3 | 97.6 | 171.8 | -178 | 0 | 0 | 0 | 0 | 107.3 | A85 | A85-V87 PolarHBondContact O-N 2.78Š|
| 88 | F | 48.8 | Very low | 50.2 | Low | 175 Ų | 175 | 144 Ų | 144 | 77% | 0.768 | 79% | 0.785 | S | S | * | * | | | trans | -59.8 | 135 | 162.8 | -75.5 | -87.7 | 0 | 0 | 0 | 109 | P86 G90 | P86-F88 PolarHBondContact O-N 2.82Å; P86-F88 VanDerWaalsContact O-N 3.08Å; F88-G90 PolarHBondContact O-N 2.8Å |
| 89 | P | 49.4 | Very low | 50.5 | Low | 126 Ų | 126 | 140.1 Ų | 140.1 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -68.5 | 97 | 171.7 | 24.9 | -28.8 | 0 | 0 | 0 | 109.2 | | |
| 90 | G | 46.8 | Very low | 50.5 | Low | 71 Ų | 71 | 148.3 Ų | 148.3 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | | | trans | -57.4 | 132.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | F88 | F88-G90 PolarHBondContact O-N 2.8Š|
| 91 | R | 53.2 | Low | 51.2 | Low | 254 Ų | 254 | 145.6 Ų | 145.6 | 96% | 0.958 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -55.7 | 132.6 | 179.2 | -59 | 169.5 | -177.3 | -106.8 | 1 | 111.1 | | |
| 92 | G | 52.3 | Low | 51.2 | Low | 74 Ų | 74 | 150.6 Ų | 150.6 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | | | trans | 112.7 | 81.5 | 157.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 93 | S | 49.2 | Very low | 52 | Low | 127 Ų | 127 | 144.1 Ų | 144.1 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | | | trans | -125.2 | 78 | 155.7 | -79.6 | 0 | 0 | 0 | 0 | 108.2 | S95 | S93-S95 VanDerWaalsContact C-N 3.33Å; S93-S95 PolarHBondContact O-N 2.93Å; S93-S95 VanDerWaalsContact O-N 3.14Å |
| 94 | Y | 50.9 | Low | 52.1 | Low | 197 Ų | 197 | 141.7 Ų | 141.7 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | trans | -78.4 | 89.6 | 166.4 | -174.5 | -102.5 | 0 | 0 | 0 | 108.4 | N96 | Y94-N96 PolarHBondContact OH-ND2 2.98Å; Y94-N96 WeakPolarHBondContact CE1-ND2 3.29Å |
| 95 | S | 49.8 | Very low | 51.9 | Low | 111 Ų | 111 | 138.8 Ų | 138.8 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | -138.4 | 80.6 | 162.1 | -74.5 | 0 | 0 | 0 | 0 | 108.6 | S93 | S93-S95 VanDerWaalsContact C-N 3.33Å; S93-S95 PolarHBondContact O-N 2.93Å; S93-S95 VanDerWaalsContact O-N 3.14Å |
| 96 | N | 49.1 | Very low | 52.2 | Low | 106 Ų | 106 | 140.4 Ų | 140.4 | 57% | 0.567 | 79% | 0.786 | S | S | * | * | | | | 13.8 | 107.5 | 128.3 | -91.6 | -66.3 | 0 | 0 | 0 | 116.6 | Y94 | Y94-N96 PolarHBondContact OH-ND2 2.98Å; Y94-N96 WeakPolarHBondContact CE1-ND2 3.29Å |
| 97 | R | 52.4 | Low | 52.3 | Low | 239 Ų | 239 | 142 Ų | 142 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | | | | 144.6 | 122.2 | 117.3 | -80.6 | -155.1 | -98.6 | -162.8 | -5.8 | 111.2 | | |
| 98 | G | 51.3 | Low | 52.5 | Low | 75 Ų | 75 | 147 Ų | 147 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | 97.6 | 60.7 | 148.6 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 99 | N | 54.4 | Low | 52.6 | Low | 99 Ų | 99 | 140.9 Ų | 140.9 | 53% | 0.529 | 78% | 0.78 | S | S | . | * | | | trans | -128.1 | 67.4 | 159.3 | -172.6 | 26.4 | 0 | 0 | 0 | 110.5 | | |
| 100 | Y | 49.1 | Very low | 52.9 | Low | 225 Ų | 225 | 140 Ų | 140 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | | | trans | -114.3 | 22.4 | 162.7 | -55.9 | -59.9 | 0 | 0 | 0 | 112.3 | | |
| 101 | N | 55.6 | Low | 53 | Low | 167 Ų | 167 | 148 Ų | 148 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | | | trans | -112.3 | 30.1 | 169.1 | -67.6 | -40 | 0 | 0 | 0 | 111.2 | | |
| 102 | R | 57.6 | Low | 53.2 | Low | 213 Ų | 213 | 141.5 Ų | 141.5 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -116.2 | 99.8 | 162.3 | -85.6 | -148.1 | -98.1 | -166 | -5.9 | 109.6 | | |
| 103 | G | 52.9 | Low | 53.5 | Low | 79 Ų | 79 | 144.4 Ų | 144.4 | 81% | 0.814 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 111.1 | 100.7 | 157.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 104 | G | 54.8 | Low | 54.1 | Low | 68 Ų | 68 | 143.6 Ų | 143.6 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | | | trans | 84.9 | 107.9 | 142.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | P106 | G104-P106 WeakPolarHBondContact O-CD 3.43Š|
| 105 | M | 55.2 | Low | 54 | Low | 189 Ų | 189 | 143.4 Ų | 143.4 | 93% | 0.931 | 75% | 0.745 | S | S | * | * | | | trans | -54.2 | 114.3 | 149 | -105 | 160.8 | 70.4 | 0 | 0 | 108.4 | N107 | M105-N107 PolarHBondContact O-N 2.74Š|
| 106 | P | 54.8 | Low | 54.3 | Low | 108 Ų | 108 | 150.2 Ų | 150.2 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | | | trans | -81.4 | 106.9 | 156.8 | 18.8 | -1.3 | 0 | 0 | 0 | 105.7 | G104 R108 | G104-P106 WeakPolarHBondContact O-CD 3.43Å; P106-R108 PolarHBondContact O-N 2.91Å |
| 107 | N | 59.8 | Low | 54.2 | Low | 143 Ų | 143 | 148.8 Ų | 148.8 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | | | trans | -3.6 | 91.9 | 146.7 | -165.1 | -23.7 | 0 | 0 | 0 | 113 | M105 G109 | M105-N107 PolarHBondContact O-N 2.74Å; N107-G109 PolarHBondContact O-N 3.47Å; N107-G109 VanDerWaalsContact O-N 3.16Å; N107-G109 WeakPolarHBondContact OD1-CA 3.12Å; N107-G109 PolarHBondContact OD1-N 2.83Å |
| 108 | R | 55.2 | Low | 54.9 | Low | 240 Ų | 240 | 149.8 Ų | 149.8 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | | | trans | -84.4 | 40.8 | 167.2 | -83.2 | -163.3 | -102.7 | 165 | -6.7 | 110.4 | P106 | P106-R108 PolarHBondContact O-N 2.91Š|
| 109 | G | 50.4 | Low | 55.1 | Low | 48 Ų | 48 | 149.1 Ų | 149.1 | 50% | 0.495 | 76% | 0.761 | S | S | . | * | | | trans | -62.2 | 137.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | N107 | N107-G109 PolarHBondContact O-N 3.47Å; N107-G109 VanDerWaalsContact O-N 3.16Å; N107-G109 WeakPolarHBondContact OD1-CA 3.12Å; N107-G109 PolarHBondContact OD1-N 2.83Å |
| 110 | N | 56.6 | Low | 54.9 | Low | 107 Ų | 107 | 150.2 Ų | 150.2 | 57% | 0.572 | 77% | 0.767 | S | S | * | * | | | trans | 77.3 | 72.6 | 157 | -156.8 | 4.4 | 0 | 0 | 0 | 117.7 | N112 Q113 | N110-N112 PolarHBondContact O-N 3.39Å; N110-N112 PolarHBondContact OD1-O 3.13Å; N110-N112 VanDerWaalsContact OD1-C 3.31Å; N110-N112 PolarHBondContact OD1-N 3.36Å; N110-Q113 VanDerWaalsContact ND2-CG 3.29Å; N110-Q113 WeakPolarHBondContact ND2-CG 3.09Å |
| 111 | Y | 48 | Very low | 55.2 | Low | 238 Ų | 238 | 147.1 Ų | 147.1 | 93% | 0.933 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -83.7 | 35.2 | 160.2 | -118.9 | -86.8 | 0 | 0 | 0 | 112.5 | | |
| 112 | N | 58.9 | Low | 55.3 | Low | 118 Ų | 118 | 149.3 Ų | 149.3 | 63% | 0.631 | 76% | 0.761 | S | S | * | * | | | trans | -148.7 | 64 | -178.6 | -151.7 | 0.7 | 0 | 0 | 0 | 112.6 | N110 | N110-N112 PolarHBondContact O-N 3.39Å; N110-N112 PolarHBondContact OD1-O 3.13Å; N110-N112 VanDerWaalsContact OD1-C 3.31Å; N110-N112 PolarHBondContact OD1-N 3.36Å |
| 113 | Q | 58.2 | Low | 54.8 | Low | 135 Ų | 135 | 141.9 Ų | 141.9 | 63% | 0.631 | 75% | 0.751 | S | S | * | * | | | trans | -145.4 | 84.8 | 161.7 | -64.6 | -60.1 | -34.8 | 0 | 0 | 109.5 | N110 | N110-Q113 VanDerWaalsContact ND2-CG 3.29Å; N110-Q113 WeakPolarHBondContact ND2-CG 3.09Å |
| 114 | N | 60.2 | Low | 54.7 | Low | 111 Ų | 111 | 149 Ų | 149 | 59% | 0.594 | 76% | 0.755 | S | S | * | * | | | | 79.3 | 46.9 | 91.8 | -74.2 | -40.1 | 0 | 0 | 0 | 116.6 | | |
| 115 | F | 50.6 | Low | 54.6 | Low | 193 Ų | 193 | 154.6 Ų | 154.6 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | | | trans | -152.7 | 120.2 | 155.6 | -61.5 | -81 | 0 | 0 | 0 | 107.2 | | |
| 116 | R | 56.3 | Low | 54.2 | Low | 253 Ų | 253 | 152.1 Ų | 152.1 | 96% | 0.955 | 75% | 0.75 | S | S | * | * | S | Bend | cis | -159.9 | 122 | 46.3 | -67.1 | 168.4 | -177.7 | 170 | -1.6 | 109.2 | | |
| 117 | G | 47.2 | Very low | 54.1 | Low | 76 Ų | 76 | 156.5 Ų | 156.5 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | | | trans | 133.6 | 69.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G119 | G117-G119 PolarHBondContact O-N 3.41Š|
| 118 | R | 66.8 | Low | 53.9 | Low | 260 Ų | 260 | 153.9 Ų | 153.9 | 98% | 0.981 | 75% | 0.754 | S | S | * | * | | | trans | -54 | 129.4 | 150.6 | -70.9 | -179.5 | 177.2 | 178 | -1 | 107.7 | | |
| 119 | G | 55.1 | Low | 54 | Low | 61 Ų | 61 | 151.9 Ų | 151.9 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | | | trans | 109 | 85.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | G117 | G117-G119 PolarHBondContact O-N 3.41Š|
| 120 | N | 48.9 | Very low | 54.2 | Low | 122 Ų | 122 | 152 Ų | 152 | 65% | 0.652 | 76% | 0.756 | S | S | * | * | | | | 169.7 | 121.8 | 108.9 | -92.8 | -43.9 | 0 | 0 | 0 | 111.7 | R122 | N120-R122 VanDerWaalsContact C-N 3.29Å; N120-R122 HydrophobicContact CB-CG 4.13Å; N120-R122 PolarHBondContact O-N 3.01Å |
| 121 | N | 56.1 | Low | 53.8 | Low | 161 Ų | 161 | 157.6 Ų | 157.6 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | | | trans | -49.5 | 95.8 | 143.7 | -91.7 | -32.4 | 0 | 0 | 0 | 109.1 | | |
| 122 | R | 57.1 | Low | 54 | Low | 213 Ų | 213 | 152.8 Ų | 152.8 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | -116.2 | 83.2 | 161.7 | -80.2 | -175.3 | -136.7 | 155.8 | 4 | 109.3 | N120 | N120-R122 VanDerWaalsContact C-N 3.29Å; N120-R122 HydrophobicContact CB-CG 4.13Å; N120-R122 PolarHBondContact O-N 3.01Å |
| 123 | G | 47.2 | Very low | 53.7 | Low | 56 Ų | 56 | 156.2 Ų | 156.2 | 58% | 0.577 | 77% | 0.774 | S | S | * | * | | | trans | 90.5 | 76.4 | 138.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | K125 | G123-K125 PolarHBondContact O-N 3.44Š|
| 124 | Y | 52.4 | Low | 53.1 | Low | 229 Ų | 229 | 161.9 Ų | 161.9 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | | | trans | -59.1 | 85.7 | 132.2 | -72.7 | -83.6 | 0 | 0 | 0 | 107.7 | | |
| 125 | K | 50.8 | Low | 52.9 | Low | 186 Ų | 186 | 164.1 Ų | 164.1 | 81% | 0.809 | 80% | 0.796 | S | S | * | * | | | trans | -96.9 | 99.3 | 161.7 | -73.3 | -172.8 | -179.6 | -178 | 0 | 106.3 | G123 Q127 | G123-K125 PolarHBondContact O-N 3.44Å; K125-Q127 PolarHBondContact O-N 3.3Å; K125-Q127 VanDerWaalsContact O-N 3.08Å |
| 126 | N | 48.4 | Very low | 52.5 | Low | 137 Ų | 137 | 164.4 Ų | 164.4 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | | | trans | -40.4 | 114.8 | 159.2 | -74.2 | -77.4 | 0 | 0 | 0 | 108.9 | S128 | N126-S128 PolarHBondContact O-N 3.07Š|
| 127 | Q | 52.9 | Low | 51.9 | Low | 200 Ų | 200 | 155.7 Ų | 155.7 | 94% | 0.935 | 79% | 0.789 | S | S | * | * | | | trans | -76 | 45.9 | 164.2 | -70.9 | -176.4 | -19.8 | 0 | 0 | 110.2 | K125 Q129 | K125-Q127 PolarHBondContact O-N 3.3Å; K125-Q127 VanDerWaalsContact O-N 3.08Å; Q127-Q129 VanDerWaalsContact C-N 3.28Å; Q127-Q129 PolarHBondContact O-N 3.19Å |
| 128 | S | 55.8 | Low | 51.8 | Low | 88 Ų | 88 | 157.7 Ų | 157.7 | 62% | 0.615 | 79% | 0.791 | S | S | * | * | | | trans | -98.1 | 55.5 | 166.4 | 69.7 | 0 | 0 | 0 | 0 | 109.2 | N126 | N126-S128 PolarHBondContact O-N 3.07Š|
| 129 | Q | 56 | Low | 50.9 | Low | 197 Ų | 197 | 152 Ų | 152 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | | | trans | -94.4 | 81.5 | 155.9 | -77.6 | -101.5 | -30.7 | 0 | 0 | 105.5 | Q127 | Q127-Q129 VanDerWaalsContact C-N 3.28Å; Q127-Q129 PolarHBondContact O-N 3.19Å |
| 130 | G | 54.5 | Low | 50.4 | Low | 50 Ų | 50 | 157.8 Ų | 157.8 | 52% | 0.515 | 80% | 0.795 | S | S | . | * | S | Bend | trans | 153.2 | 113.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 131 | Y | 48.1 | Very low | 50.3 | Low | 225 Ų | 225 | 157.9 Ų | 157.9 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 92.3 | 103.3 | -174.2 | -62.5 | -82.8 | 0 | 0 | 0 | 116.1 | | |
| 132 | N | 53.5 | Low | 50 | Low | 138 Ų | 138 | 157.8 Ų | 157.8 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | | | trans | 136.3 | 60.5 | 148.3 | -67.6 | -46.4 | 0 | 0 | 0 | 113.9 | | |
| 133 | Q | 52.8 | Low | 49.6 | Very low | 190 Ų | 190 | 153.8 Ų | 153.8 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -110.3 | 10.2 | 166.1 | -143.7 | 169.6 | 12.9 | 0 | 0 | 113.1 | | |
| 134 | W | 44.6 | Very low | 49.6 | Very low | 253 Ų | 253 | 159.3 Ų | 159.3 | 96% | 0.958 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -118 | 14 | 179.6 | -70.4 | 101 | 0 | 0 | 0 | 114.3 | | |
| 135 | Q | 56.4 | Low | 48.8 | Very low | 159 Ų | 159 | 154.8 Ų | 154.8 | 74% | 0.743 | 81% | 0.814 | S | S | * | * | | | trans | -140.7 | 87.8 | 172.1 | -70.5 | -166.5 | 38.2 | 0 | 0 | 109.8 | | |
| 136 | Q | 40.9 | Very low | 48.5 | Very low | 198 Ų | 198 | 149.4 Ų | 149.4 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | | | trans | -161.2 | 98.8 | 147.9 | -106 | 160.4 | 71.1 | 0 | 0 | 107.4 | | |
| 137 | G | 43.8 | Very low | 48.5 | Very low | 70 Ų | 70 | 154.7 Ų | 154.7 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | | | trans | -73.4 | 155.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 138 | S | 46.4 | Very low | 48.1 | Very low | 119 Ų | 119 | 151.3 Ų | 151.3 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | | | trans | 30.9 | 106.8 | 147.1 | -50.1 | 0 | 0 | 0 | 0 | 118.6 | | |
| 139 | V | 47.5 | Very low | 47.5 | Very low | 139 Ų | 139 | 156.6 Ų | 156.6 | 84% | 0.842 | 83% | 0.825 | S | S | * | * | | | trans | -124.4 | 106.3 | 144.6 | -75.5 | 0 | 0 | 0 | 0 | 109 | | |
| 140 | H | 43.3 | Very low | 46.7 | Very low | 184 Ų | 184 | 150.6 Ų | 150.6 | 85% | 0.852 | 82% | 0.817 | S | S | * | * | | | trans | -71 | 122.8 | 159 | -85.2 | -169.9 | 0 | 0 | 0 | 108 | | |
| 141 | V | 48.7 | Very low | 46.9 | Very low | 124 Ų | 124 | 154.6 Ų | 154.6 | 75% | 0.752 | 83% | 0.833 | S | S | * | * | | | trans | -137.3 | 105.4 | 153 | -174.1 | 0 | 0 | 0 | 0 | 107.6 | V143 | V141-V143 HydrophobicContact CG1-CG2 4.2Å; V141-V143 PolarHBondContact O-N 3.24Å |
| 142 | N | 48.7 | Very low | 46.7 | Very low | 158 Ų | 158 | 155.4 Ų | 155.4 | 85% | 0.845 | 85% | 0.853 | S | S | * | * | | | trans | -65.6 | 123.8 | 163.7 | -84 | -53.3 | 0 | 0 | 0 | 108.7 | | |
| 143 | V | 48.9 | Very low | 46.3 | Very low | 129 Ų | 129 | 156.3 Ų | 156.3 | 78% | 0.782 | 86% | 0.859 | S | S | * | * | | | trans | -131.7 | 111.3 | 152.3 | -178.6 | 0 | 0 | 0 | 0 | 108.4 | V141 | V141-V143 HydrophobicContact CG1-CG2 4.2Å; V141-V143 PolarHBondContact O-N 3.24Å |
| 144 | L | 46.7 | Very low | 46 | Very low | 173 Ų | 173 | 154.5 Ų | 154.5 | 91% | 0.906 | 86% | 0.857 | S | S | * | * | | | trans | -73.5 | 117.4 | 172.1 | -167.2 | 94.2 | 0 | 0 | 0 | 108.8 | | |
| 145 | C | 36 | Very low | 46.1 | Very low | 134 Ų | 134 | 149.1 Ų | 149.1 | 91% | 0.905 | 85% | 0.852 | S | S | * | * | | | trans | -174.9 | 128.2 | 147.9 | -160.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 146 | G | 44.1 | Very low | 45.5 | Very low | 72 Ų | 72 | 148.5 Ų | 148.5 | 74% | 0.742 | 86% | 0.858 | S | S | * | * | | | trans | 125.1 | 64.1 | 156.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | V148 | G146-V148 PolarHBondContact O-N 3.13Š|
| 147 | R | 48.3 | Very low | 45.8 | Very low | 249 Ų | 249 | 145.4 Ų | 145.4 | 94% | 0.94 | 85% | 0.854 | S | S | * | * | | | trans | -71.8 | 112.3 | 161.8 | 171.9 | -175.8 | -172 | 140.7 | 1.7 | 110 | | |
| 148 | V | 45.9 | Very low | 45.9 | Very low | 128 Ų | 128 | 150.4 Ų | 150.4 | 78% | 0.776 | 86% | 0.863 | S | S | * | * | | | trans | -152 | 116.6 | 153.1 | -173.4 | 0 | 0 | 0 | 0 | 112.5 | G146 | G146-V148 PolarHBondContact O-N 3.13Š|
| 149 | K | 43.1 | Very low | 45.9 | Very low | 200 Ų | 200 | 152.6 Ų | 152.6 | 87% | 0.87 | 87% | 0.865 | S | S | * | * | | | trans | 40 | 123.5 | 150.3 | -64.4 | 178.4 | 173.7 | 179.1 | 0 | 121.5 | | |
| 150 | G | 39.3 | Very low | 45.7 | Very low | 71 Ų | 71 | 153.7 Ų | 153.7 | 73% | 0.732 | 87% | 0.866 | S | S | * | * | | | trans | -81.5 | 174.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 151 | P | 57.2 | Low | 45.9 | Very low | 133 Ų | 133 | 151.2 Ų | 151.2 | 86% | 0.864 | 87% | 0.868 | S | S | * | * | | | trans | -97.9 | 144.4 | 171.4 | 34.2 | -25.1 | 0 | 0 | 0 | 112.5 | | |
| 152 | N | 44.3 | Very low | 45.7 | Very low | 243 Ų | 243 | 153.6 Ų | 153.6 | 100% | 1.299 | 88% | 0.878 | S | S | * | * | | | trans | -15.9 | 0 | 177.4 | -71 | -31.7 | 0 | 0 | 0 | 119.6 | | |