| 1 | K | 44.8 | Very low | 38.4 | Very low | 259 Ų | 259 | 155.9 Ų | 155.9 | 100% | 1.126 | 84% | 0.842 | S | S | * | * | | | | 0 | 128.2 | 0 | -179.3 | 177.5 | -178.2 | 176.9 | 0 | 107.6 | | |
| 2 | K | 35.2 | Very low | 37.9 | Very low | 196 Ų | 196 | 156 Ų | 156 | 85% | 0.852 | 84% | 0.84 | S | S | * | * | | | trans | 59.8 | 102.2 | -175.8 | -72.1 | -168.2 | 171.1 | -170.3 | 0 | 117.2 | | |
| 3 | M | 43.5 | Very low | 38.3 | Very low | 169 Ų | 169 | 158.9 Ų | 158.9 | 83% | 0.833 | 84% | 0.84 | S | S | * | * | | | | 44.8 | 119.4 | 113.9 | -176.1 | -176.6 | -179.8 | 0 | 0 | 119.5 | | |
| 4 | L | 41.5 | Very low | 37.8 | Very low | 170 Ų | 170 | 160.9 Ų | 160.9 | 89% | 0.89 | 84% | 0.842 | S | S | * | * | | | trans | -153.1 | 138.1 | 136.6 | -116.6 | 159.7 | 0 | 0 | 0 | 109.2 | | |
| 5 | C | 41.2 | Very low | 38 | Very low | 100 Ų | 100 | 162.3 Ų | 162.3 | 68% | 0.676 | 84% | 0.843 | S | S | * | * | | | trans | -126.7 | 131 | 178.6 | -57.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 6 | S | 37.1 | Very low | 37.7 | Very low | 119 Ų | 119 | 161.7 Ų | 161.7 | 83% | 0.832 | 84% | 0.84 | S | S | * | * | | | trans | -172.4 | 117 | 144.1 | -77.8 | 0 | 0 | 0 | 0 | 106.3 | | |
| 7 | K | 39.8 | Very low | 37.8 | Very low | 194 Ų | 194 | 159.4 Ų | 159.4 | 84% | 0.843 | 84% | 0.835 | S | S | * | * | | | cis | 98.6 | 126.4 | 44.7 | -173.3 | 172.1 | -172.8 | 177.1 | 0 | 110.6 | | |
| 8 | D | 35.4 | Very low | 37.8 | Very low | 150 Ų | 150 | 158.6 Ų | 158.6 | 80% | 0.802 | 83% | 0.832 | S | S | * | * | | | trans | -76.9 | 173.2 | -166.5 | -35.5 | -93 | 0 | 0 | 0 | 111.4 | | |
| 9 | S | 38.7 | Very low | 38 | Very low | 114 Ų | 114 | 159.3 Ų | 159.3 | 80% | 0.797 | 83% | 0.83 | S | S | * | * | | | cis | -152.2 | 152.9 | 14.1 | 53.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 10 | L | 33.3 | Very low | 38.2 | Very low | 179 Ų | 179 | 158.4 Ų | 158.4 | 94% | 0.937 | 83% | 0.826 | S | S | * | * | | | trans | -130.9 | 122.6 | 161.2 | -104.2 | 169.5 | 0 | 0 | 0 | 107.4 | | |
| 11 | G | 32.1 | Very low | 38.3 | Very low | 65 Ų | 65 | 162 Ų | 162 | 67% | 0.67 | 83% | 0.829 | S | S | * | * | | | trans | -112.7 | 138 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 12 | L | 32.8 | Very low | 38 | Very low | 157 Ų | 157 | 157.4 Ų | 157.4 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | | | trans | -173.1 | 115 | 151.2 | -104.8 | 172.6 | 0 | 0 | 0 | 111.3 | | |
| 13 | K | 42.1 | Very low | 38.6 | Very low | 194 Ų | 194 | 157.6 Ų | 157.6 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | | | trans | 63.7 | 177.5 | 149 | -72.8 | -172.9 | 173 | -164 | 0 | 120.2 | | |
| 14 | E | 32.2 | Very low | 38.3 | Very low | 186 Ų | 186 | 155 Ų | 155 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | | | trans | 67.1 | 97.8 | -175.2 | -110.9 | 160.9 | 161.8 | 0 | 0 | 113.5 | | |
| 15 | E | 40.1 | Very low | 38.2 | Very low | 183 Ų | 183 | 151 Ų | 151 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | | | | 74.5 | 111.7 | 53 | -166.4 | 176.8 | 163 | 0 | 0 | 113.6 | | |
| 16 | L | 34.2 | Very low | 38.2 | Very low | 152 Ų | 152 | 152.6 Ų | 152.6 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | | | trans | -170.4 | 126.6 | 153.9 | -105.1 | 172.1 | 0 | 0 | 0 | 110.2 | | |
| 17 | T | 39.1 | Very low | 38.2 | Very low | 122 Ų | 122 | 155.1 Ų | 155.1 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | trans | 25.8 | 140.8 | 146.6 | 56.1 | 0 | 0 | 0 | 0 | 120.8 | | |
| 18 | D | 37.8 | Very low | 38.1 | Very low | 146 Ų | 146 | 153.6 Ų | 153.6 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | | | cis | 171.8 | -179 | -0.7 | -161.8 | -5.4 | 0 | 0 | 0 | 106.1 | | |
| 19 | E | 42.2 | Very low | 38.1 | Very low | 171 Ų | 171 | 148.6 Ų | 148.6 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | | | trans | 57.4 | 99.9 | 164.6 | -65.9 | -163.5 | 150.4 | 0 | 0 | 120.7 | | |
| 20 | D | 40.5 | Very low | 38.4 | Very low | 141 Ų | 141 | 150.4 Ų | 150.4 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | | | trans | 63.5 | 109.3 | 133.2 | -161 | 19.1 | 0 | 0 | 0 | 121.2 | E22 | D20-E22 PolarHBondContact OD1-N 3.41Š|
| 21 | R | 41.8 | Very low | 38.9 | Very low | 234 Ų | 234 | 149.2 Ų | 149.2 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | | | trans | -153.5 | 110.2 | 133.6 | -105.8 | 146 | -169 | -104.8 | -4.1 | 110.5 | K23 | R21-K23 PolarHBondContact O-N 3.15Š|
| 22 | E | 37.3 | Very low | 39.6 | Very low | 163 Ų | 163 | 150.9 Ų | 150.9 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | | | trans | -6.8 | 112.6 | 156.7 | -171.4 | -177.5 | 177.7 | 0 | 0 | 115.1 | D20 V24 | D20-E22 PolarHBondContact OD1-N 3.41Å; E22-V24 HydrophobicContact CG-CG2 4.45Å; E22-V24 PolarHBondContact O-N 3.45Å |
| 23 | K | 48.6 | Very low | 40.2 | Very low | 201 Ų | 201 | 146.7 Ų | 146.7 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | | | trans | -81.4 | 88 | 176.7 | -65.9 | -171.6 | -177 | -179.1 | 0 | 110.3 | R21 A25 | R21-K23 PolarHBondContact O-N 3.15Å; K23-A25 VanDerWaalsContact C-N 3.25Å; K23-A25 PolarHBondContact O-N 2.96Å |
| 24 | V | 36.3 | Very low | 40.4 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | | | trans | -63.5 | 89.9 | 165.5 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | E22 V26 | E22-V24 HydrophobicContact CG-CG2 4.45Å; E22-V24 PolarHBondContact O-N 3.45Å; V24-V26 PolarHBondContact O-N 3.11Å |
| 25 | A | 39.9 | Very low | 41.3 | Very low | 87 Ų | 87 | 138.8 Ų | 138.8 | 72% | 0.719 | 76% | 0.762 | S | S | * | * | | | trans | -66.6 | 116.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | K23 H27 | K23-A25 VanDerWaalsContact C-N 3.25Å; K23-A25 PolarHBondContact O-N 2.96Å; A25-H27 PolarHBondContact O-N 2.84Å |
| 26 | V | 41.8 | Very low | 41.1 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | | | trans | -68.7 | 89.8 | 172.1 | 179.9 | 0 | 0 | 0 | 0 | 107.6 | V24 E28 | V24-V26 PolarHBondContact O-N 3.11Å; V26-E28 PolarHBondContact O-N 2.93Å |
| 27 | H | 36.8 | Very low | 41.8 | Very low | 171 Ų | 171 | 136.3 Ų | 136.3 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | | | trans | -70.4 | 102.1 | 168.4 | -162.9 | -61.2 | 0 | 0 | 0 | 106.9 | A25 G29 | A25-H27 PolarHBondContact O-N 2.84Å; H27-G29 PolarHBondContact O-N 3.45Å |
| 28 | E | 38.2 | Very low | 42.7 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | | | trans | -65.3 | 99.3 | -178.9 | -169.3 | 163.5 | -175.4 | 0 | 0 | 109 | V26 I30 | V26-E28 PolarHBondContact O-N 2.93Å; E28-I30 VanDerWaalsContact C-N 3.3Å; E28-I30 PolarHBondContact O-N 3.02Å |
| 29 | G | 34.9 | Very low | 43 | Very low | 46 Ų | 46 | 138.5 Ų | 138.5 | 47% | 0.474 | 77% | 0.765 | S | S | . | * | | | trans | -68.2 | 86.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | H27 N31 | H27-G29 PolarHBondContact O-N 3.45Å; G29-N31 PolarHBondContact O-N 2.87Å; G29-N31 PolarHBondContact O-OD1 3.21Å |
| 30 | I | 44.6 | Very low | 43.5 | Very low | 151 Ų | 151 | 138 Ų | 138 | 77% | 0.774 | 77% | 0.767 | S | S | * | * | | | trans | -63.4 | 81.9 | 166 | 44.6 | 166.9 | 0 | 0 | 0 | 109 | E28 S32 | E28-I30 VanDerWaalsContact C-N 3.3Å; E28-I30 PolarHBondContact O-N 3.02Å; I30-S32 PolarHBondContact O-N 3.17Å |
| 31 | N | 44.6 | Very low | 43.5 | Very low | 154 Ų | 154 | 142 Ų | 142 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | | | trans | -69.6 | 70.4 | 178.2 | -67.5 | -27.6 | 0 | 0 | 0 | 109.7 | G29 G33 | G29-N31 PolarHBondContact O-N 2.87Å; G29-N31 PolarHBondContact O-OD1 3.21Å; N31-G33 PolarHBondContact O-N 3.08Å |
| 32 | S | 46.3 | Very low | 43.9 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | -71.9 | 58.1 | 168.6 | 62.6 | 0 | 0 | 0 | 0 | 109.9 | I30 T34 | I30-S32 PolarHBondContact O-N 3.17Å; S32-T34 PolarHBondContact O-N 3.4Å |
| 33 | G | 45.5 | Very low | 44.7 | Very low | 68 Ų | 68 | 136.6 Ų | 136.6 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | trans | -70.2 | 79.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | N31 A35 | N31-G33 PolarHBondContact O-N 3.08Å; G33-A35 PolarHBondContact O-N 3.39Å |
| 34 | T | 46.3 | Very low | 44.8 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | | | trans | -56.4 | 99.5 | 173.2 | -61.4 | 0 | 0 | 0 | 0 | 108.6 | S32 M36 | S32-T34 PolarHBondContact O-N 3.4Å; T34-M36 VanDerWaalsContact C-N 3.34Å; T34-M36 PolarHBondContact O-N 3.01Å |
| 35 | A | 49.7 | Very low | 45.7 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | -66.1 | 93.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | G33 S37 | G33-A35 PolarHBondContact O-N 3.39Å; A35-S37 PolarHBondContact O-N 2.91Å |
| 36 | M | 37.9 | Very low | 46.2 | Very low | 171 Ų | 171 | 135.6 Ų | 135.6 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | | | trans | -61.4 | 101.2 | 173.1 | -74.1 | -172.2 | 173.1 | 0 | 0 | 108.7 | T34 R38 | T34-M36 VanDerWaalsContact C-N 3.34Å; T34-M36 PolarHBondContact O-N 3.01Å; M36-R38 PolarHBondContact O-N 2.89Å |
| 37 | S | 47.8 | Very low | 46.6 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | trans | -58.3 | 112.2 | 169.9 | 43.1 | 0 | 0 | 0 | 0 | 108.1 | A35 G39 | A35-S37 PolarHBondContact O-N 2.91Å; S37-G39 PolarHBondContact O-N 3.27Å |
| 38 | R | 57.1 | Low | 47.4 | Very low | 250 Ų | 250 | 139 Ų | 139 | 94% | 0.943 | 78% | 0.779 | S | S | * | * | | | trans | -65.8 | 86.8 | 174.2 | -78.2 | -175.6 | 166.2 | -137.5 | -1.3 | 108.8 | M36 L40 | M36-R38 PolarHBondContact O-N 2.89Å; R38-L40 PolarHBondContact O-N 2.88Å; R38-L40 VanDerWaalsContact O-N 3.15Å |
| 39 | G | 44.8 | Very low | 47.9 | Very low | 64 Ų | 64 | 133.5 Ų | 133.5 | 66% | 0.66 | 77% | 0.766 | S | S | * | * | | | trans | -54.6 | 117.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | S37 Y41 | S37-G39 PolarHBondContact O-N 3.27Å; G39-Y41 PolarHBondContact O-N 2.93Å |
| 40 | L | 52.4 | Low | 48.2 | Very low | 160 Ų | 160 | 142.8 Ų | 142.8 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | | | trans | -70 | 106.5 | -178.7 | -155.2 | 79.7 | 0 | 0 | 0 | 108.3 | R38 Q42 | R38-L40 PolarHBondContact O-N 2.88Å; R38-L40 VanDerWaalsContact O-N 3.15Å; L40-Q42 PolarHBondContact O-N 3.32Å |
| 41 | Y | 41.9 | Very low | 48.2 | Very low | 226 Ų | 226 | 142.9 Ų | 142.9 | 89% | 0.886 | 78% | 0.784 | S | S | * | * | | | trans | -65.4 | 95.8 | -177.6 | -124 | -92.1 | 0 | 0 | 0 | 110 | G39 P43 | G39-Y41 PolarHBondContact O-N 2.93Å; Y41-P43 WeakPolarHBondContact O-CD 3.4Å |
| 42 | Q | 50.2 | Low | 47.9 | Very low | 164 Ų | 164 | 143.2 Ų | 143.2 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | | | trans | -79.6 | 118.2 | 164.3 | -72.2 | -171.1 | -17.6 | 0 | 0 | 108 | L40 A44 | L40-Q42 PolarHBondContact O-N 3.32Å; Q42-A44 PolarHBondContact O-N 3.34Å |
| 43 | P | 54 | Low | 47.7 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | trans | -68.2 | 108.9 | 172.9 | 27.9 | -32.4 | 0 | 0 | 0 | 108.6 | Y41 T45 | Y41-P43 WeakPolarHBondContact O-CD 3.4Å; P43-T45 PolarHBondContact O-N 3.2Å; P43-T45 VanDerWaalsContact O-N 3.16Å |
| 44 | A | 49.3 | Very low | 47.6 | Very low | 88 Ų | 88 | 145 Ų | 145 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | -61.4 | 117.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q42 I46 | Q42-A44 PolarHBondContact O-N 3.34Å; A44-I46 PolarHBondContact O-N 3.29Å |
| 45 | T | 56 | Low | 47.1 | Very low | 144 Ų | 144 | 147.2 Ų | 147.2 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | -67.5 | 95.7 | 177.1 | -0.2 | 0 | 0 | 0 | 0 | 109.2 | P43 F47 | P43-T45 PolarHBondContact O-N 3.2Å; P43-T45 VanDerWaalsContact O-N 3.16Å; T45-F47 PolarHBondContact O-N 3.2Å |
| 46 | I | 50.6 | Low | 46.5 | Very low | 150 Ų | 150 | 150.2 Ų | 150.2 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | | | trans | -63.8 | 111.3 | 179.3 | -56.3 | 179.8 | 0 | 0 | 0 | 108.5 | A44 M48 | A44-I46 PolarHBondContact O-N 3.29Å; I46-M48 PolarHBondContact O-N 3.07Å |
| 47 | F | 49.4 | Very low | 46.4 | Very low | 186 Ų | 186 | 148 Ų | 148 | 82% | 0.816 | 80% | 0.799 | S | S | * | * | | | trans | -66.2 | 97.3 | 176.4 | -179.2 | -100.2 | 0 | 0 | 0 | 109.7 | T45 G49 | T45-F47 PolarHBondContact O-N 3.2Å; F47-G49 PolarHBondContact O-N 3.21Å |
| 48 | M | 53.7 | Low | 45.8 | Very low | 189 Ų | 189 | 149.4 Ų | 149.4 | 93% | 0.931 | 80% | 0.795 | S | S | * | * | | | trans | -67.8 | 72.9 | 177.4 | -80.5 | -84.9 | -75.6 | 0 | 0 | 111.1 | I46 | I46-M48 PolarHBondContact O-N 3.07Š|
| 49 | G | 49.5 | Very low | 44.6 | Very low | 46 Ų | 46 | 147 Ų | 147 | 47% | 0.474 | 79% | 0.786 | S | S | . | * | | | trans | -135 | 66 | -165 | 0 | 0 | 0 | 0 | 0 | 115.2 | F47 | F47-G49 PolarHBondContact O-N 3.21Š|
| 50 | R | 40.7 | Very low | 44 | Very low | 241 Ų | 241 | 150.4 Ų | 150.4 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | | | trans | -150.1 | 142.6 | 150.4 | -127.4 | 179.7 | -167.6 | -76.3 | -2.7 | 114 | | |
| 51 | Q | 44.7 | Very low | 43.2 | Very low | 154 Ų | 154 | 152.9 Ų | 152.9 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | | | trans | -109.7 | 154.2 | 177.4 | -96.1 | -75.5 | 1.1 | 0 | 0 | 110.4 | | |
| 52 | M | 37.6 | Very low | 43.2 | Very low | 160 Ų | 160 | 147 Ų | 147 | 79% | 0.788 | 79% | 0.786 | S | S | * | * | | | trans | 63.7 | 150.9 | 166.3 | -57.2 | 158.2 | 63.3 | 0 | 0 | 115.5 | | |
| 53 | S | 42.7 | Very low | 42.5 | Very low | 107 Ų | 107 | 145 Ų | 145 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | cis | -146.8 | 169.2 | 27.4 | -63.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 54 | A | 42.4 | Very low | 41.8 | Very low | 99 Ų | 99 | 147.6 Ų | 147.6 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -74.4 | 154.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 55 | I | 37.2 | Very low | 41 | Very low | 168 Ų | 168 | 152.3 Ų | 152.3 | 86% | 0.862 | 79% | 0.793 | S | S | * | * | | | trans | -107 | 122.3 | 166.1 | -61.4 | 177 | 0 | 0 | 0 | 108.3 | | |
| 56 | L | 35.9 | Very low | 40 | Very low | 156 Ų | 156 | 155.2 Ų | 155.2 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | | | trans | -78 | 117.8 | 167.8 | -78.3 | 163.1 | 0 | 0 | 0 | 109.2 | | |
| 57 | S | 35.9 | Very low | 39.3 | Very low | 124 Ų | 124 | 153.4 Ų | 153.4 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | | | trans | -88.5 | 121.9 | 158.7 | -172.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 58 | M | 36.7 | Very low | 38.7 | Very low | 143 Ų | 143 | 150.3 Ų | 150.3 | 70% | 0.704 | 79% | 0.793 | S | S | * | * | | | trans | -116.3 | 135.9 | 176.9 | -78.2 | -176.6 | 62.4 | 0 | 0 | 110.5 | | |
| 59 | R | 31.9 | Very low | 38 | Very low | 200 Ų | 200 | 150.2 Ų | 150.2 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | | | trans | 71.1 | 86.2 | 167.2 | -156 | 167.1 | -68.4 | 158 | 2.5 | 114.2 | | |
| 60 | D | 32.3 | Very low | 37.5 | Very low | 135 Ų | 135 | 153.7 Ų | 153.7 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | | | | 69.1 | 114.7 | 78.5 | -63.4 | -52.2 | 0 | 0 | 0 | 113.9 | | |
| 61 | F | 33.8 | Very low | 37.2 | Very low | 212 Ų | 212 | 148.1 Ų | 148.1 | 93% | 0.93 | 80% | 0.797 | S | S | * | * | | | | -144.8 | 159.9 | 119.6 | -85.8 | -64.7 | 0 | 0 | 0 | 109.4 | | |
| 62 | S | 41.8 | Very low | 36.8 | Very low | 104 Ų | 104 | 148.6 Ų | 148.6 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -63.9 | 160.5 | -169.4 | 55.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 63 | T | 35.7 | Very low | 36.7 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | | | cis | -151.2 | 147.1 | 40.7 | 49.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 64 | E | 40.3 | Very low | 36.2 | Very low | 174 Ų | 174 | 152.4 Ų | 152.4 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | | | trans | 53.6 | 104.7 | 137.9 | -169.3 | 164.9 | -146.5 | 0 | 0 | 121.2 | | |
| 65 | H | 32.3 | Very low | 36.1 | Very low | 187 Ų | 187 | 153.5 Ų | 153.5 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | | | | -158 | 158.6 | 120.6 | -128 | -107.9 | 0 | 0 | 0 | 112.2 | | |
| 66 | K | 35.4 | Very low | 36 | Very low | 204 Ų | 204 | 153.2 Ų | 153.2 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 147 | -174.4 | -79.9 | 177.1 | 176.4 | 169.9 | 0 | 114 | | |
| 67 | S | 34.7 | Very low | 36.3 | Very low | 113 Ų | 113 | 151.2 Ų | 151.2 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 147.3 | 178.4 | 51.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 68 | P | 38.2 | Very low | 36.4 | Very low | 121 Ų | 121 | 151.6 Ų | 151.6 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 149 | 153.3 | 34.4 | -30.8 | 0 | 0 | 0 | 110.7 | | |
| 69 | Q | 39 | Very low | 36.7 | Very low | 186 Ų | 186 | 150.1 Ų | 150.1 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -101 | 123.6 | -172.4 | -178.8 | -178.9 | 12.2 | 0 | 0 | 112.4 | | |
| 70 | P | 37.5 | Very low | 37.4 | Very low | 120 Ų | 120 | 148.5 Ų | 148.5 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 159.2 | 165 | 31.3 | -24.5 | 0 | 0 | 0 | 112.6 | | |
| 71 | T | 35.1 | Very low | 37.5 | Very low | 123 Ų | 123 | 148 Ų | 148 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | trans | -104.5 | 139.5 | -161.8 | -62.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 72 | K | 36.4 | Very low | 37.7 | Very low | 165 Ų | 165 | 145 Ų | 145 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | | | trans | 42.2 | 111.7 | 163.8 | -71.8 | -179.4 | 176.3 | -179.7 | 0 | 118.2 | | |
| 73 | N | 34.6 | Very low | 37.6 | Very low | 164 Ų | 164 | 151 Ų | 151 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 143.6 | 145.5 | -72.8 | -50.1 | 0 | 0 | 0 | 109.7 | | |
| 74 | F | 32.8 | Very low | 37.6 | Very low | 182 Ų | 182 | 153.8 Ų | 153.8 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 131.2 | 166.6 | -74.5 | -91 | 0 | 0 | 0 | 109 | | |
| 75 | S | 39.7 | Very low | 37.5 | Very low | 123 Ų | 123 | 152.2 Ų | 152.2 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 135 | 178.7 | -53.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 76 | I | 37.1 | Very low | 37.5 | Very low | 161 Ų | 161 | 147.8 Ų | 147.8 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 133.9 | 162.9 | -58.8 | 175.2 | 0 | 0 | 0 | 107.4 | | |
| 77 | P | 40.6 | Very low | 37.5 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 138.3 | -179.8 | 30.3 | -34.4 | 0 | 0 | 0 | 112.5 | | |
| 78 | D | 39.2 | Very low | 37.8 | Very low | 133 Ų | 133 | 146.2 Ų | 146.2 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 126.4 | 167.8 | 179.2 | -10.5 | 0 | 0 | 0 | 110 | H80 | D78-H80 VanDerWaalsContact C-N 3.33Å; D78-H80 PolarHBondContact O-N 3.46Å; D78-H80 PolarHBondContact OD1-N 3.17Å |
| 79 | P | 43.2 | Very low | 37.8 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -77.6 | -1.2 | -177 | 31.7 | -36.3 | 0 | 0 | 0 | 115.8 | | |
| 80 | H | 44.8 | Very low | 37.7 | Very low | 166 Ų | 166 | 143 Ų | 143 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | -131.9 | 86.9 | -175.6 | -75 | -53.2 | 0 | 0 | 0 | 116.6 | D78 | D78-H80 VanDerWaalsContact C-N 3.33Å; D78-H80 PolarHBondContact O-N 3.46Å; D78-H80 PolarHBondContact OD1-N 3.17Å |
| 81 | S | 35 | Very low | 37.7 | Very low | 125 Ų | 125 | 144 Ų | 144 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | trans | -146.9 | 136.2 | 147 | -169.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 82 | H | 37.6 | Very low | 37.8 | Very low | 150 Ų | 150 | 143.2 Ų | 143.2 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | | | trans | -94.3 | 160.7 | -174 | 98 | -18.8 | 0 | 0 | 0 | 113 | Q84 | H82-Q84 PolarHBondContact O-N 3.43Š|
| 83 | R | 41.1 | Very low | 37.7 | Very low | 228 Ų | 228 | 142.2 Ų | 142.2 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | -49 | 132.3 | 177.6 | -58.3 | 168.2 | 103.4 | -115.3 | 7.3 | 112.8 | | |
| 84 | Q | 36.1 | Very low | 37.8 | Very low | 179 Ų | 179 | 139 Ų | 139 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | | | trans | -153.1 | 147.7 | 138.9 | -115.5 | 162.6 | -1.8 | 0 | 0 | 110.8 | H82 | H82-Q84 PolarHBondContact O-N 3.43Š|
| 85 | T | 37 | Very low | 37.9 | Very low | 142 Ų | 142 | 135.6 Ų | 135.6 | 87% | 0.871 | 77% | 0.774 | S | S | * | * | | | trans | -144.4 | 105.4 | -173.8 | -56.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 86 | A | 33.3 | Very low | 37.6 | Very low | 93 Ų | 93 | 136 Ų | 136 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | trans | -172 | 164.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 87 | Q | 34.9 | Very low | 37.6 | Very low | 171 Ų | 171 | 134.4 Ų | 134.4 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | | | cis | -179.1 | 117.7 | -37.6 | 175 | 177.4 | 8.7 | 0 | 0 | 106.4 | | |
| 88 | S | 40.1 | Very low | 37.4 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | trans | 61.3 | 173.1 | 174.3 | 80 | 0 | 0 | 0 | 0 | 114.9 | | |
| 89 | S | 39.1 | Very low | 37.3 | Very low | 89 Ų | 89 | 135.3 Ų | 135.3 | 62% | 0.622 | 77% | 0.766 | S | S | * | * | | | cis | -150.2 | 139.9 | 0.6 | 60.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 90 | N | 36.3 | Very low | 36.8 | Very low | 151 Ų | 151 | 134.8 Ų | 134.8 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | | | trans | 42.7 | 157 | 131.8 | -49.3 | -5.6 | 0 | 0 | 0 | 123 | | |
| 91 | V | 37.8 | Very low | 36.7 | Very low | 139 Ų | 139 | 135 Ų | 135 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | | | trans | 100.6 | 132.8 | 164.4 | 179.6 | 0 | 0 | 0 | 0 | 115 | | |
| 92 | T | 36.3 | Very low | 36.8 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 66% | 0.663 | 77% | 0.767 | S | S | * | * | | | cis | -167.8 | 175.1 | -25.2 | -80.3 | 0 | 0 | 0 | 0 | 105.3 | | |
| 93 | D | 34.8 | Very low | 37.1 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | | | trans | 76.4 | 141.2 | 167.4 | -82.7 | -46.9 | 0 | 0 | 0 | 118 | | |
| 94 | S | 37.8 | Very low | 36.9 | Very low | 96 Ų | 96 | 132.5 Ų | 132.5 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | | | cis | -148.5 | 166 | -8 | -142.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 95 | C | 34 | Very low | 37.1 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 75% | 0.75 | 77% | 0.766 | S | S | * | * | | | trans | -32 | 150.1 | -176.7 | -56.5 | 0 | 0 | 0 | 0 | 120.1 | | |
| 96 | V | 33.3 | Very low | 37.3 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | | | | 166.7 | 163.1 | 104.2 | 167 | 0 | 0 | 0 | 0 | 108.8 | | |
| 97 | V | 37.5 | Very low | 37.4 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | trans | 78.1 | 131.8 | 177.2 | -170.3 | 0 | 0 | 0 | 0 | 115.3 | | |
| 98 | Q | 36.5 | Very low | 37.8 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | | | cis | -164.7 | 146.9 | -23.2 | -171.6 | 172.4 | -50.5 | 0 | 0 | 110.2 | | |
| 99 | T | 36.2 | Very low | 37.7 | Very low | 107 Ų | 107 | 132.9 Ų | 132.9 | 66% | 0.656 | 76% | 0.761 | S | S | * | * | | | trans | 41.8 | 103.5 | 161.6 | 52.6 | 0 | 0 | 0 | 0 | 120.7 | | |
| 100 | S | 34.1 | Very low | 37.7 | Very low | 99 Ų | 99 | 135 Ų | 135 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | | | | 41.3 | 124.7 | 121.6 | 64.1 | 0 | 0 | 0 | 0 | 121.2 | | |
| 101 | N | 42.4 | Very low | 38.2 | Very low | 172 Ų | 172 | 134.7 Ų | 134.7 | 92% | 0.92 | 76% | 0.764 | S | S | * | * | | | | -144 | 154.4 | 119.3 | -97.1 | -48.7 | 0 | 0 | 0 | 110.3 | | |
| 102 | D | 35.7 | Very low | 38.7 | Very low | 143 Ų | 143 | 136.1 Ų | 136.1 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | | | trans | -98.8 | -164.9 | -171.6 | -163 | -3.5 | 0 | 0 | 0 | 111.4 | | |
| 103 | T | 45.3 | Very low | 39 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | trans | 88.2 | 62.3 | 174 | 68.1 | 0 | 0 | 0 | 0 | 117.9 | C105 | T103-C105 PolarHBondContact O-N 2.9Š|
| 104 | Q | 36.8 | Very low | 39.1 | Very low | 185 Ų | 185 | 135.4 Ų | 135.4 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | | 15.1 | 103.1 | 114.3 | -175.5 | -172.8 | 58.3 | 0 | 0 | 117.9 | | |
| 105 | C | 40.5 | Very low | 39.2 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | | | trans | -150.9 | 109.5 | 146.8 | 56.2 | 0 | 0 | 0 | 0 | 109.3 | T103 | T103-C105 PolarHBondContact O-N 2.9Š|
| 106 | L | 40.2 | Very low | 39.4 | Very low | 146 Ų | 146 | 139.8 Ų | 139.8 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | | | | 77.8 | 100.2 | 85.9 | -74 | 175.5 | 0 | 0 | 0 | 115.4 | | |
| 107 | N | 35.8 | Very low | 39.7 | Very low | 132 Ų | 132 | 139 Ų | 139 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | trans | 51.6 | 105.8 | 136.4 | -61.7 | -21 | 0 | 0 | 0 | 121.5 | | |
| 108 | K | 43 | Very low | 39.9 | Very low | 202 Ų | 202 | 141.5 Ų | 141.5 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | | | | 27.9 | 118.6 | 124.7 | -59.7 | -175.3 | 179.3 | -174.2 | 0 | 119.2 | | |
| 109 | S | 39.4 | Very low | 39.9 | Very low | 113 Ų | 113 | 142.6 Ų | 142.6 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | trans | 172 | 156.6 | 141.2 | 29.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 110 | D | 38.3 | Very low | 40.2 | Very low | 134 Ų | 134 | 145.5 Ų | 145.5 | 72% | 0.717 | 81% | 0.808 | S | S | * | * | | | cis | -153.7 | -176.1 | -30.4 | -134.7 | -66.7 | 0 | 0 | 0 | 109.8 | | |
| 111 | N | 45.6 | Very low | 40.5 | Very low | 145 Ų | 145 | 144 Ų | 144 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | | | trans | -60 | 135.1 | 176 | -61.8 | -96 | 0 | 0 | 0 | 113.2 | | |
| 112 | I | 48.7 | Very low | 40.3 | Very low | 169 Ų | 169 | 145 Ų | 145 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | | | trans | -142.2 | 128.7 | 147.1 | 39.5 | 172.4 | 0 | 0 | 0 | 110.8 | | |
| 113 | D | 43.7 | Very low | 40.8 | Very low | 171 Ų | 171 | 148.6 Ų | 148.6 | 91% | 0.914 | 82% | 0.815 | S | S | * | * | | | trans | -79 | 146 | 164.1 | 178.3 | 28.3 | 0 | 0 | 0 | 109.5 | | |
| 114 | G | 35.6 | Very low | 40.6 | Very low | 66 Ų | 66 | 151.1 Ų | 151.1 | 68% | 0.68 | 82% | 0.821 | S | S | * | * | | | trans | 173 | 127 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 115 | K | 40.6 | Very low | 41.4 | Very low | 207 Ų | 207 | 147 Ų | 147 | 90% | 0.9 | 81% | 0.81 | S | S | * | * | | | trans | -78.5 | 140.2 | -175.3 | -73.7 | -171.1 | 177.5 | -177.2 | 0 | 114.1 | | |
| 116 | A | 38.7 | Very low | 41.1 | Very low | 92 Ų | 92 | 147.5 Ų | 147.5 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | | | trans | 49.4 | 119.8 | 137.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 117 | S | 39.9 | Very low | 40.8 | Very low | 113 Ų | 113 | 146.3 Ų | 146.3 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | | | | -179.6 | 126.9 | 113.2 | 38.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 118 | L | 41.5 | Very low | 40.7 | Very low | 181 Ų | 181 | 144 Ų | 144 | 95% | 0.948 | 81% | 0.808 | S | S | * | * | | | trans | -153.6 | 154 | 147.5 | -87.7 | -166.1 | 0 | 0 | 0 | 109.1 | | |
| 119 | Q | 35 | Very low | 40.1 | Very low | 182 Ų | 182 | 139.4 Ų | 139.4 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | | | trans | -147.6 | 117.8 | -156 | 173.1 | -171.1 | -6.8 | 0 | 0 | 112.1 | | |
| 120 | I | 43.7 | Very low | 39.7 | Very low | 169 Ų | 169 | 139.9 Ų | 139.9 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | | | trans | -149.4 | 138.8 | 159 | -55.3 | 89.5 | 0 | 0 | 0 | 105.4 | | |
| 121 | G | 40.7 | Very low | 39.4 | Very low | 67 Ų | 67 | 141.5 Ų | 141.5 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | | | cis | 167.2 | 136.4 | -4.6 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 122 | E | 38 | Very low | 38.8 | Very low | 193 Ų | 193 | 139.8 Ų | 139.8 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | | | trans | -64 | 152.7 | -173.8 | -60.4 | 163.4 | 88.8 | 0 | 0 | 114.2 | | |
| 123 | K | 46.9 | Very low | 38 | Very low | 218 Ų | 218 | 140.5 Ų | 140.5 | 95% | 0.948 | 81% | 0.806 | S | S | * | * | | | | -151.7 | 150.7 | 128.8 | -67.9 | -150.6 | 177.8 | -170.1 | 0 | 111.9 | | |
| 124 | M | 41.1 | Very low | 37.7 | Very low | 176 Ų | 176 | 141.5 Ų | 141.5 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | | | trans | -167.3 | 174.3 | -175.1 | -143.8 | 176.1 | 62.9 | 0 | 0 | 107 | | |
| 125 | P | 52 | Low | 37.6 | Very low | 98 Ų | 98 | 147 Ų | 147 | 64% | 0.636 | 81% | 0.813 | S | S | * | * | | | cis | -118.6 | -154.1 | -44.4 | 18 | 7.1 | 0 | 0 | 0 | 111.4 | | |
| 126 | V | 34.6 | Very low | 37.1 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | | | trans | 80.7 | 142.5 | 156.1 | -169.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 127 | T | 34.6 | Very low | 36.8 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | | | cis | -137.6 | 156.7 | 8.4 | -1.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 128 | A | 32.8 | Very low | 36.3 | Very low | 84 Ų | 84 | 148.6 Ų | 148.6 | 69% | 0.694 | 80% | 0.803 | S | S | * | * | | | | 49.5 | 143.4 | 67.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 129 | S | 30.4 | Very low | 35.9 | Very low | 106 Ų | 106 | 145 Ų | 145 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | | | cis | -168.6 | 160 | -2.7 | -118.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 130 | V | 31.3 | Very low | 35.8 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 74% | 0.739 | 79% | 0.791 | S | S | * | * | | | trans | 64.4 | 114.5 | 141.6 | 174.3 | 0 | 0 | 0 | 0 | 121.7 | | |
| 131 | L | 31.4 | Very low | 35.2 | Very low | 168 Ų | 168 | 143.9 Ų | 143.9 | 88% | 0.88 | 79% | 0.788 | S | S | * | * | | | trans | 44 | 139.4 | 134.4 | -51.7 | 176.9 | 0 | 0 | 0 | 124 | | |
| 132 | S | 33.4 | Very low | 34.9 | Very low | 109 Ų | 109 | 148.5 Ų | 148.5 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | | | trans | 158.9 | 110.8 | 137.3 | -157.4 | 0 | 0 | 0 | 0 | 106.7 | | |
| 133 | E | 33.2 | Very low | 34.5 | Very low | 185 Ų | 185 | 142 Ų | 142 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | | 71.2 | 102.6 | 69.8 | -171.8 | 173 | -133.6 | 0 | 0 | 114 | | |
| 134 | E | 36.7 | Very low | 33.7 | Very low | 191 Ų | 191 | 137.3 Ų | 137.3 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | | | trans | -165.7 | 154.1 | 146.5 | -166 | 84.3 | -126.8 | 0 | 0 | 107.1 | | |
| 135 | E | 33.5 | Very low | 33.3 | Very low | 181 Ų | 181 | 136.2 Ų | 136.2 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | trans | -82.5 | 163.6 | 177.5 | -68.5 | -177.8 | 64.5 | 0 | 0 | 113.5 | | |
| 136 | Q | 30.4 | Very low | 32.8 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | | 151.8 | 100.3 | 113.4 | -171.5 | 170.7 | 45 | 0 | 0 | 114 | | |
| 137 | T | 31.2 | Very low | 33 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | trans | 64.1 | 166.1 | 165.3 | 73.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 138 | H | 29.5 | Very low | 33.3 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | | | cis | -155.7 | 153.1 | 1.5 | 29.3 | -88.2 | 0 | 0 | 0 | 109.2 | | |
| 139 | C | 32.7 | Very low | 33.4 | Very low | 107 Ų | 107 | 146.2 Ų | 146.2 | 72% | 0.723 | 80% | 0.799 | S | S | * | * | | | trans | 65.5 | 133.6 | 170.7 | -62 | 0 | 0 | 0 | 0 | 115.6 | | |
| 140 | L | 33.8 | Very low | 33.9 | Very low | 156 Ų | 156 | 151.5 Ų | 151.5 | 82% | 0.817 | 81% | 0.808 | S | S | * | * | | | | 59.1 | 126.9 | 65.4 | -60.9 | 171.8 | 0 | 0 | 0 | 111.7 | | |
| 141 | E | 31 | Very low | 34.2 | Very low | 170 Ų | 170 | 151.1 Ų | 151.1 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | | | cis | -154.6 | -170.8 | 16.1 | -150.5 | -173.3 | 129.7 | 0 | 0 | 111.6 | | |
| 142 | I | 33.9 | Very low | 34.4 | Very low | 165 Ų | 165 | 150.3 Ų | 150.3 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | | | trans | 74.9 | 130.9 | 172.4 | -47.7 | 164.7 | 0 | 0 | 0 | 114.5 | | |
| 143 | G | 30 | Very low | 34.6 | Very low | 57 Ų | 57 | 153.6 Ų | 153.6 | 59% | 0.588 | 82% | 0.816 | S | S | * | * | | | cis | 164.4 | 160.8 | -5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 144 | S | 30.2 | Very low | 34.9 | Very low | 119 Ų | 119 | 150.8 Ų | 150.8 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | | | trans | 49.5 | 110.1 | 175.2 | 65.7 | 0 | 0 | 0 | 0 | 117.4 | | |
| 145 | N | 32.2 | Very low | 34.9 | Very low | 152 Ų | 152 | 150.9 Ų | 150.9 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | | | trans | -134.3 | 105.1 | 148.9 | -114.7 | -58.3 | 0 | 0 | 0 | 109.6 | | |
| 146 | T | 42.2 | Very low | 35 | Very low | 130 Ų | 130 | 145.7 Ų | 145.7 | 80% | 0.798 | 81% | 0.812 | S | S | * | * | | | trans | -68.4 | 128.6 | 171.1 | 32.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 147 | R | 39.3 | Very low | 35.5 | Very low | 229 Ų | 229 | 146.8 Ų | 146.8 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | | | trans | -158.7 | 147.8 | 155.4 | -99.1 | 127.1 | -141.5 | -76.8 | 1.6 | 112 | | |
| 148 | H | 41 | Very low | 35.9 | Very low | 200 Ų | 200 | 150.5 Ų | 150.5 | 93% | 0.926 | 82% | 0.82 | S | S | * | * | | | trans | -75.1 | 151.4 | 173.2 | -63.6 | -69.1 | 0 | 0 | 0 | 111.7 | | |
| 149 | G | 34.3 | Very low | 36.5 | Very low | 77 Ų | 77 | 149 Ų | 149 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | | | trans | -162.1 | 93.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 150 | K | 41.4 | Very low | 36.7 | Very low | 217 Ų | 217 | 148.3 Ų | 148.3 | 94% | 0.943 | 83% | 0.829 | S | S | * | * | | | trans | -90.4 | 116.9 | 169 | -82.6 | -177.8 | 174.6 | 178.2 | 0 | 109.8 | | |
| 151 | S | 36.4 | Very low | 36.4 | Very low | 114 Ų | 114 | 148.6 Ų | 148.6 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | | | trans | -154.6 | 156.8 | 155.3 | 46.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 152 | N | 36.8 | Very low | 36.5 | Very low | 152 Ų | 152 | 147.5 Ų | 147.5 | 81% | 0.813 | 83% | 0.825 | S | S | * | * | | | trans | -114.3 | 179.9 | -167.7 | -59.2 | -69 | 0 | 0 | 0 | 111.9 | | |
| 153 | L | 36.7 | Very low | 36.4 | Very low | 177 Ų | 177 | 146.6 Ų | 146.6 | 93% | 0.927 | 82% | 0.822 | S | S | * | * | | | trans | 78.5 | 136.3 | 174.2 | -42.3 | 179.6 | 0 | 0 | 0 | 112.1 | | |
| 154 | S | 40.2 | Very low | 36.8 | Very low | 126 Ų | 126 | 149.3 Ų | 149.3 | 88% | 0.881 | 83% | 0.832 | S | S | * | * | | | cis | -121.7 | -176 | 34.8 | 58.3 | 0 | 0 | 0 | 0 | 116.6 | | |
| 155 | E | 36.9 | Very low | 37.5 | Very low | 194 Ų | 194 | 149 Ų | 149 | 91% | 0.907 | 83% | 0.827 | S | S | * | * | | | trans | -96.7 | 134 | -163.7 | -175.7 | -178.8 | 173.1 | 0 | 0 | 113.2 | | |
| 156 | G | 35.3 | Very low | 37.4 | Very low | 72 Ų | 72 | 149.3 Ų | 149.3 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | | | trans | -144.7 | 25.2 | -161.1 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 157 | K | 40.7 | Very low | 36.9 | Very low | 190 Ų | 190 | 152.7 Ų | 152.7 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | | | trans | 51.3 | 100.7 | 165.2 | -64.1 | 175.5 | -178.9 | 171 | 0 | 119.5 | | |
| 158 | K | 39.8 | Very low | 36.4 | Very low | 200 Ų | 200 | 147.4 Ų | 147.4 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | | | trans | 53.5 | 108 | 131.7 | -57 | -178.8 | -178.8 | -174.3 | 0 | 120.2 | | |
| 159 | S | 41.5 | Very low | 36 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 88% | 0.881 | 80% | 0.802 | S | S | * | * | | | | -160.8 | 156.1 | 125.3 | -81.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 160 | A | 36.8 | Very low | 36 | Very low | 91 Ų | 91 | 150 Ų | 150 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | | | trans | -59.6 | 135.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 161 | E | 28.3 | Very low | 35.7 | Very low | 162 Ų | 162 | 144.6 Ų | 144.6 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | | | | 59.3 | 82.4 | 65.3 | -160 | 168.8 | -146.2 | 0 | 0 | 110 | | |
| 162 | L | 32.7 | Very low | 36.1 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | | | | 58.9 | 122.2 | 97.3 | -65.1 | 176.1 | 0 | 0 | 0 | 113.4 | | |
| 163 | N | 31.9 | Very low | 35.9 | Very low | 146 Ų | 146 | 144.7 Ų | 144.7 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | | | | 176.4 | 132.9 | 107 | -94.1 | -69 | 0 | 0 | 0 | 110.1 | | |
| 164 | S | 38.6 | Very low | 36 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -117.9 | 135.1 | 155.9 | 57.6 | 0 | 0 | 0 | 0 | 108 | | |
| 165 | P | 43.5 | Very low | 36.1 | Very low | 112 Ų | 112 | 147 Ų | 147 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | -139.4 | 148.1 | 132.1 | 34.7 | -22 | 0 | 0 | 0 | 113.7 | | |
| 166 | L | 31.8 | Very low | 36.1 | Very low | 158 Ų | 158 | 143 Ų | 143 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | | | trans | -9.5 | 134.6 | 138.8 | -67.1 | 155.4 | 0 | 0 | 0 | 113.7 | | |
| 167 | R | 30.9 | Very low | 36.8 | Very low | 201 Ų | 201 | 146.3 Ų | 146.3 | 76% | 0.758 | 76% | 0.764 | S | S | * | * | | | cis | -171.9 | 160.2 | 45.4 | -133.7 | -179.1 | -168.6 | -128.9 | 8.3 | 111.8 | | |
| 168 | E | 28.7 | Very low | 36.6 | Very low | 118 Ų | 118 | 143.9 Ų | 143.9 | 55% | 0.551 | 76% | 0.76 | S | S | * | * | | | trans | 37.9 | 107.3 | 132 | -167.3 | -153.9 | 143.6 | 0 | 0 | 119.5 | | |
| 169 | R | 33.6 | Very low | 36.6 | Very low | 195 Ų | 195 | 142.4 Ų | 142.4 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | | | | 170.4 | 141.7 | 120.3 | -94 | 175.6 | 108.2 | 89.3 | -4.2 | 114.5 | | |
| 170 | L | 34.4 | Very low | 36.7 | Very low | 137 Ų | 137 | 145.2 Ų | 145.2 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | | | trans | 62.7 | 107.2 | 145.9 | -62 | 168.9 | 0 | 0 | 0 | 121.4 | | |
| 171 | S | 33.6 | Very low | 36.6 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | | | trans | 77.1 | 146.1 | 132.1 | -55.7 | 0 | 0 | 0 | 0 | 121.3 | | |
| 172 | P | 45.8 | Very low | 36.8 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | | | trans | -89.2 | 140.9 | 170.8 | 35.8 | -32.4 | 0 | 0 | 0 | 111.9 | | |
| 173 | E | 32.1 | Very low | 37 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | | | trans | -132.5 | 72.7 | -176 | -167 | 87.7 | -152 | 0 | 0 | 111.2 | | |
| 174 | N | 39.7 | Very low | 37.3 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | | | trans | -110.9 | 66.7 | 171.1 | 66.5 | -40 | 0 | 0 | 0 | 112.5 | | |
| 175 | R | 42.1 | Very low | 37.2 | Very low | 202 Ų | 202 | 140.9 Ų | 140.9 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | | | trans | -47.8 | 152.4 | 155.3 | -95.4 | 176.4 | 146.3 | 156.1 | -8.6 | 111.5 | | |
| 176 | T | 35.7 | Very low | 36.9 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | | | cis | -150.2 | 142.2 | 9.7 | 37.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 177 | T | 51.5 | Low | 37.1 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 86% | 0.859 | 75% | 0.745 | S | S | * | * | | | trans | 172.6 | 91.5 | 140.6 | 34.5 | 0 | 0 | 0 | 0 | 105.6 | | |
| 178 | D | 36.3 | Very low | 37.6 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | | 55.5 | 82.4 | 66.4 | -164.4 | 23.3 | 0 | 0 | 0 | 114.7 | | |
| 179 | L | 39.9 | Very low | 37.9 | Very low | 170 Ų | 170 | 133.4 Ų | 133.4 | 89% | 0.89 | 76% | 0.759 | S | S | * | * | | | trans | -146.1 | 158.3 | 134.2 | -79.6 | -169 | 0 | 0 | 0 | 109.2 | | |
| 180 | K | 42.9 | Very low | 38 | Very low | 184 Ų | 184 | 132.3 Ų | 132.3 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | | | trans | -79.8 | 151.9 | -175.9 | -68.6 | 179.3 | -178.8 | 178.9 | 0 | 111.5 | | |
| 181 | C | 34.4 | Very low | 38.2 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 71% | 0.709 | 76% | 0.758 | S | S | * | * | | | | 57.2 | 126.9 | 62.3 | -83.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 182 | D | 33.2 | Very low | 38.7 | Very low | 138 Ų | 138 | 134.4 Ų | 134.4 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | | | cis | -151.5 | 178.6 | 14.1 | -70.8 | -60.3 | 0 | 0 | 0 | 112.1 | | |
| 183 | S | 36.3 | Very low | 38.4 | Very low | 117 Ų | 117 | 135 Ų | 135 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | 68.9 | 135.9 | 159.2 | -64.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 184 | S | 37.4 | Very low | 38.5 | Very low | 100 Ų | 100 | 138 Ų | 138 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | | | cis | 93.2 | 121.1 | 40.6 | -171.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 185 | S | 38.1 | Very low | 38.7 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | trans | 58.9 | 130 | 148.1 | 57.7 | 0 | 0 | 0 | 0 | 121.6 | | |
| 186 | G | 35.6 | Very low | 38.5 | Very low | 70 Ų | 70 | 134 Ų | 134 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | | | trans | 97.5 | 158.3 | 162 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 187 | S | 37.6 | Very low | 39 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | | | cis | 156 | 132.6 | -22.7 | 44.4 | 0 | 0 | 0 | 0 | 107.1 | | |
| 188 | E | 40.7 | Very low | 38.3 | Very low | 195 Ų | 195 | 138.6 Ų | 138.6 | 91% | 0.911 | 76% | 0.762 | S | S | * | * | | | trans | 74.7 | 163.9 | 160.1 | -66.1 | 163.2 | -154 | 0 | 0 | 119.1 | | |
| 189 | G | 34.9 | Very low | 38.4 | Very low | 67 Ų | 67 | 137.6 Ų | 137.6 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | | | trans | 93 | 96.3 | -155.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 190 | E | 36.5 | Very low | 38.3 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | | | cis | 62.1 | 132.5 | 29.4 | -118.5 | -153.7 | 139.4 | 0 | 0 | 112.1 | | |
| 191 | I | 37.6 | Very low | 37.9 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 65% | 0.646 | 75% | 0.749 | S | S | * | * | | | cis | -150 | 157.2 | 12.7 | -22.1 | 173.4 | 0 | 0 | 0 | 109.2 | | |
| 192 | L | 44.3 | Very low | 37.9 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | | | trans | 151.2 | 80 | 138.3 | -81.2 | 164.1 | 0 | 0 | 0 | 115.2 | | |
| 193 | T | 38.8 | Very low | 38.1 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | | | trans | 10.8 | 127.1 | 139.7 | 56.5 | 0 | 0 | 0 | 0 | 120.8 | | |
| 194 | R | 36 | Very low | 37.9 | Very low | 217 Ų | 217 | 142.5 Ų | 142.5 | 82% | 0.819 | 76% | 0.758 | S | S | * | * | | | | -157.8 | 133.7 | 107 | -158.1 | 160.3 | -168.9 | 153.2 | 13.3 | 113.7 | | |
| 195 | E | 42.2 | Very low | 37.9 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 54% | 0.537 | 76% | 0.759 | S | S | . | * | | | trans | -0.1 | 146.5 | 156.6 | -48 | 163.5 | -111.9 | 0 | 0 | 119.1 | | |
| 196 | H | 38.2 | Very low | 38.6 | Very low | 155 Ų | 155 | 143 Ų | 143 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | | | cis | -145 | 137.7 | 19 | -47.7 | -100.6 | 0 | 0 | 0 | 108.6 | | |
| 197 | I | 46.2 | Very low | 39.5 | Very low | 156 Ų | 156 | 144.9 Ų | 144.9 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | | | | 60.8 | 103.1 | 74.1 | -54.7 | 176.9 | 0 | 0 | 0 | 115.7 | | |
| 198 | E | 38.1 | Very low | 39.1 | Very low | 189 Ų | 189 | 146.6 Ų | 146.6 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | | | | -146.1 | 153.7 | 122.1 | -167.8 | 158.2 | -136.4 | 0 | 0 | 109 | | |
| 199 | V | 38 | Very low | 38.9 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 72% | 0.715 | 76% | 0.756 | S | S | * | * | | | trans | -146.3 | 136 | -166 | 169.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 200 | E | 37.5 | Very low | 39.2 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | | | | -152.1 | 138.5 | 92.7 | -85.1 | -175.7 | 168.7 | 0 | 0 | 111 | | |
| 201 | E | 35.6 | Very low | 39 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | | | | 64 | 128.5 | 83.6 | -117.6 | -146.4 | 143.7 | 0 | 0 | 113 | | |
| 202 | K | 34 | Very low | 39.4 | Very low | 168 Ų | 168 | 143 Ų | 143 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | | | cis | -138.3 | 153.4 | 28 | -82.2 | 161.3 | -174.5 | 165.6 | 0 | 114.5 | | |
| 203 | R | 37 | Very low | 38.8 | Very low | 242 Ų | 242 | 142.1 Ų | 142.1 | 91% | 0.913 | 76% | 0.762 | S | S | * | * | | | trans | -94.6 | 142.6 | 163.1 | -78.1 | -173.5 | 173.5 | -152.6 | 1.9 | 111.2 | | |
| 204 | A | 32.9 | Very low | 38.5 | Very low | 98 Ų | 98 | 141.7 Ų | 141.7 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | | | trans | -146.7 | 159.1 | 141.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 205 | S | 36.5 | Very low | 38.2 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | -148 | 174.8 | -169.4 | -64.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 206 | P | 52.6 | Low | 37.6 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | | | trans | -99.7 | -155 | -147.4 | 45.4 | -41.2 | 0 | 0 | 0 | 111.4 | | |
| 207 | P | 54.5 | Low | 37.2 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | | | cis | -139.9 | -162.3 | -2.1 | 28.2 | -0.8 | 0 | 0 | 0 | 115.4 | | |
| 208 | V | 28.7 | Very low | 36.4 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | | | trans | 91.5 | 136.6 | 155.9 | -174.3 | 0 | 0 | 0 | 0 | 119 | | |
| 209 | S | 37.6 | Very low | 36.1 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | | | trans | -91.8 | 161.3 | 175 | -19.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 210 | P | 40.9 | Very low | 35.8 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | | | | -155.5 | -174.4 | 57.1 | 43.4 | -21.3 | 0 | 0 | 0 | 117.8 | | |
| 211 | I | 32 | Very low | 35.7 | Very low | 154 Ų | 154 | 136.5 Ų | 136.5 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | | | trans | 8.8 | 140.8 | 138.8 | -58.3 | 164.8 | 0 | 0 | 0 | 117.3 | | |
| 212 | P | 45.1 | Very low | 35.9 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | cis | -139.5 | 179 | 21 | 26.3 | -0.4 | 0 | 0 | 0 | 118.5 | | |
| 213 | V | 33.4 | Very low | 35.7 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | | | trans | 19.4 | 126.2 | 142.1 | -176.4 | 0 | 0 | 0 | 0 | 121 | | |
| 214 | S | 31.6 | Very low | 35.8 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | | | trans | -152.3 | 153.3 | 136.2 | 65.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 215 | E | 30.3 | Very low | 36 | Very low | 164 Ų | 164 | 135.2 Ų | 135.2 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | | | trans | -108.3 | -176.4 | -178.7 | -168.1 | -179.5 | -150.9 | 0 | 0 | 110.6 | | |
| 216 | Y | 28.9 | Very low | 35.6 | Very low | 200 Ų | 200 | 136.9 Ų | 136.9 | 78% | 0.784 | 74% | 0.737 | S | S | * | * | | | trans | 70.9 | 140.4 | 178.1 | -73.7 | -114 | 0 | 0 | 0 | 114.7 | | |
| 217 | C | 30.5 | Very low | 34.9 | Very low | 90 Ų | 90 | 138.8 Ų | 138.8 | 61% | 0.608 | 73% | 0.733 | S | S | * | * | | | cis | -155 | -178.7 | -11.4 | -125.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 218 | E | 28.1 | Very low | 33.8 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | | | cis | -140 | -162.2 | 7.5 | -138.6 | 122.2 | -108.9 | 0 | 0 | 107 | | |
| 219 | S | 33.4 | Very low | 34.2 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | | | cis | -145.7 | 156.1 | 11.4 | 59.8 | 0 | 0 | 0 | 0 | 113 | | |
| 220 | E | 30.6 | Very low | 35 | Very low | 166 Ų | 166 | 140.1 Ų | 140.1 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | | | trans | 1.3 | 135.8 | 142 | -62.9 | -166.1 | 126.9 | 0 | 0 | 117.1 | | |
| 221 | N | 35.7 | Very low | 34.4 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 64% | 0.642 | 74% | 0.736 | S | S | * | * | | | cis | 172.3 | 165.6 | 19.1 | 56.9 | 133.4 | 0 | 0 | 0 | 108.1 | | |
| 222 | K | 39.4 | Very low | 34.6 | Very low | 179 Ų | 179 | 145.8 Ų | 145.8 | 78% | 0.778 | 73% | 0.733 | S | S | * | * | | | cis | -150.9 | 160.2 | 17.3 | -69.6 | -174.2 | -179.4 | -170.1 | 0 | 112.3 | | |
| 223 | W | 29.7 | Very low | 33.8 | Very low | 229 Ų | 229 | 144.5 Ų | 144.5 | 87% | 0.867 | 74% | 0.74 | S | S | * | * | | | trans | 45.4 | 130.7 | 131.5 | -152.3 | -91 | 0 | 0 | 0 | 121.5 | | |
| 224 | S | 40.4 | Very low | 33.9 | Very low | 68 Ų | 68 | 144.4 Ų | 144.4 | 48% | 0.476 | 74% | 0.74 | S | S | . | * | | | cis | -174.3 | 163.6 | -10.8 | -99.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 225 | Q | 35.2 | Very low | 34.1 | Very low | 147 Ų | 147 | 144 Ų | 144 | 69% | 0.687 | 74% | 0.737 | S | S | * | * | | | trans | 62.6 | 147.5 | 144.4 | -80.5 | 172.8 | -78.4 | 0 | 0 | 119.9 | | |
| 226 | E | 28.7 | Very low | 34.5 | Very low | 138 Ų | 138 | 141.8 Ų | 141.8 | 65% | 0.645 | 73% | 0.73 | S | S | * | * | | | cis | -151.4 | 157.7 | -8.3 | -170.5 | 152.4 | 172 | 0 | 0 | 112 | | |
| 227 | K | 38.1 | Very low | 34.7 | Very low | 159 Ų | 159 | 140.1 Ų | 140.1 | 69% | 0.691 | 73% | 0.729 | S | S | * | * | | | trans | -44.6 | 154.4 | 170.8 | -48.1 | 165.8 | -171.4 | 171.3 | 0 | 112.6 | | |
| 228 | H | 31.3 | Very low | 34.9 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | | | | -165.9 | 179.6 | 59.9 | -99.2 | -73.3 | 0 | 0 | 0 | 113.3 | | |
| 229 | S | 38 | Very low | 35.2 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 74% | 0.741 | 74% | 0.737 | S | S | * | * | | | trans | -102.5 | -151.1 | -173.5 | 47.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 230 | P | 54.3 | Low | 35.1 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 72% | 0.721 | 74% | 0.742 | S | S | * | * | | | | -126.8 | 169.6 | -90.6 | 40.1 | -25 | 0 | 0 | 0 | 114.7 | | |
| 231 | W | 28.5 | Very low | 35 | Very low | 228 Ų | 228 | 145.9 Ų | 145.9 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | | | trans | -165.6 | 171.6 | 147.4 | -159.8 | -109.5 | 0 | 0 | 0 | 113.1 | | |
| 232 | E | 35.1 | Very low | 35 | Very low | 158 Ų | 158 | 148.4 Ų | 148.4 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | | | trans | -84.6 | 165 | 177.8 | -58.5 | 166.9 | 105.3 | 0 | 0 | 113.5 | | |
| 233 | G | 29.7 | Very low | 35.7 | Very low | 81 Ų | 81 | 144.4 Ų | 144.4 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | | | trans | 179.8 | 132.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 234 | V | 34.2 | Very low | 35.7 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | | | trans | -106.8 | 140.1 | -179.4 | 175 | 0 | 0 | 0 | 0 | 110.6 | | |
| 235 | S | 36.8 | Very low | 35.6 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | trans | -171.4 | 107.1 | 147.9 | -172.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 236 | D | 37.5 | Very low | 35.4 | Very low | 117 Ų | 117 | 147.7 Ų | 147.7 | 63% | 0.626 | 77% | 0.771 | S | S | * | * | | | | 34.6 | 121.3 | 127.1 | -62.7 | 1.6 | 0 | 0 | 0 | 123.9 | | |
| 237 | H | 33.8 | Very low | 36.1 | Very low | 165 Ų | 165 | 150.7 Ų | 150.7 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | | | | 82.3 | 135.6 | 124.4 | -67.3 | -32.9 | 0 | 0 | 0 | 125 | | |
| 238 | L | 34.7 | Very low | 36.3 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | | | trans | 97.5 | 134.9 | 136.9 | -89.6 | 163.8 | 0 | 0 | 0 | 123.3 | | |
| 239 | A | 34.5 | Very low | 36.4 | Very low | 84 Ų | 84 | 149.8 Ų | 149.8 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | | | trans | 86.3 | 87.2 | 145 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 240 | H | 31.2 | Very low | 36.1 | Very low | 171 Ų | 171 | 154.8 Ų | 154.8 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | | | | 65.4 | 133.1 | 108.9 | -153.4 | -36.6 | 0 | 0 | 0 | 121.6 | | |
| 241 | R | 28.6 | Very low | 35 | Very low | 224 Ų | 224 | 158.6 Ų | 158.6 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | | | trans | 96.1 | 96.1 | 149.5 | -127.2 | 170.4 | -173.9 | 165.8 | 3 | 119.8 | | |
| 242 | E | 34.7 | Very low | 35.1 | Very low | 173 Ų | 173 | 154.4 Ų | 154.4 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | | | trans | -53.8 | 177.9 | 144 | -103.4 | -172.1 | -149.8 | 0 | 0 | 114.2 | | |
| 243 | P | 54 | Low | 35.1 | Very low | 95 Ų | 95 | 154.1 Ų | 154.1 | 62% | 0.617 | 79% | 0.787 | S | S | * | * | | | cis | -134.7 | 179 | -25 | 36.1 | -20.2 | 0 | 0 | 0 | 112.5 | | |
| 244 | K | 31.1 | Very low | 35.3 | Very low | 209 Ų | 209 | 157.5 Ų | 157.5 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | | | trans | -174.3 | 158.2 | 130.8 | -104.3 | 156.2 | -173.2 | 175.6 | 0 | 114.2 | | |
| 245 | S | 38.5 | Very low | 35.4 | Very low | 109 Ų | 109 | 158.3 Ų | 158.3 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | -106.3 | 152.3 | -179.4 | 51 | 0 | 0 | 0 | 0 | 112.2 | | |
| 246 | Q | 30.7 | Very low | 35.5 | Very low | 194 Ų | 194 | 161.3 Ų | 161.3 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | | | trans | -168.3 | 136.5 | 143.1 | -112.5 | 170 | -5.7 | 0 | 0 | 112.8 | | |
| 247 | K | 42.9 | Very low | 35.5 | Very low | 202 Ų | 202 | 163.6 Ų | 163.6 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | | | trans | -104.5 | 140.9 | 160.3 | -77 | -177.7 | 175.7 | 179.3 | 0 | 108.9 | | |
| 248 | P | 42 | Very low | 35.3 | Very low | 117 Ų | 117 | 163.6 Ų | 163.6 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | | | trans | -146.3 | 166 | 137.8 | 35 | -19.2 | 0 | 0 | 0 | 113.2 | | |
| 249 | F | 32.9 | Very low | 35.1 | Very low | 186 Ų | 186 | 160.3 Ų | 160.3 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | | | cis | -170.3 | 159.4 | -33.9 | -119.9 | -57.1 | 0 | 0 | 0 | 109.5 | | |
| 250 | R | 32.4 | Very low | 35.2 | Very low | 210 Ų | 210 | 168.2 Ų | 168.2 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | | | trans | 51.4 | 131.1 | 152.8 | -74.9 | -176 | 176 | -110.7 | -0.6 | 122.2 | | |
| 251 | K | 30.3 | Very low | 35.1 | Very low | 192 Ų | 192 | 165.4 Ų | 165.4 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | | | | -170.6 | 154.7 | 111.4 | -82.7 | -155.3 | -179.4 | 178.6 | 0 | 107.6 | | |
| 252 | M | 31.6 | Very low | 35.6 | Very low | 139 Ų | 139 | 160.9 Ų | 160.9 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | | | cis | -164.9 | 157.9 | -16.4 | -100.7 | -60.4 | -158.3 | 0 | 0 | 107.8 | | |
| 253 | Q | 34.5 | Very low | 36.3 | Very low | 153 Ų | 153 | 157.9 Ų | 157.9 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | | | trans | 61.2 | 150.4 | 173.7 | -73.6 | 167.2 | -97.3 | 0 | 0 | 116.4 | | |
| 254 | E | 34 | Very low | 35.7 | Very low | 152 Ų | 152 | 158.7 Ų | 158.7 | 71% | 0.71 | 79% | 0.791 | S | S | * | * | | | cis | -140.5 | 116.3 | 1.6 | -145.6 | 147.7 | -123.6 | 0 | 0 | 105.8 | | |
| 255 | E | 37.4 | Very low | 36.6 | Very low | 157 Ų | 157 | 155.9 Ų | 155.9 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | | 57.6 | 143.5 | 89.7 | -76.1 | -176.5 | -156.2 | 0 | 0 | 116.3 | | |
| 256 | E | 37.5 | Very low | 36.6 | Very low | 172 Ų | 172 | 158.3 Ų | 158.3 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | cis | -178.7 | 163.2 | -46.1 | -103.1 | 156.5 | -120.5 | 0 | 0 | 107.5 | | |
| 257 | E | 37.2 | Very low | 37.5 | Very low | 165 Ų | 165 | 153.9 Ų | 153.9 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | | | cis | -115.3 | -91.2 | 4.7 | -151.2 | -95.7 | 71 | 0 | 0 | 111.2 | | |
| 258 | E | 30.4 | Very low | 37.7 | Very low | 164 Ų | 164 | 151.4 Ų | 151.4 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | | | cis | -152.7 | 132.2 | -21 | -164.3 | -175.8 | -139.8 | 0 | 0 | 111.8 | | |
| 259 | S | 30.1 | Very low | 37.8 | Very low | 98 Ų | 98 | 150.6 Ų | 150.6 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | | | trans | 75.3 | 147.1 | 157.4 | 78.6 | 0 | 0 | 0 | 0 | 122.6 | | |
| 260 | W | 36.3 | Very low | 38.5 | Very low | 251 Ų | 251 | 149.3 Ų | 149.3 | 95% | 0.951 | 77% | 0.768 | S | S | * | * | | | trans | -91.5 | 134.1 | 160 | -57.6 | -44.1 | 0 | 0 | 0 | 110.5 | | |
| 261 | S | 30.5 | Very low | 39.1 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | trans | 173.7 | 120.8 | 137.3 | -82.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 262 | T | 39.5 | Very low | 40.3 | Very low | 130 Ų | 130 | 142.2 Ų | 142.2 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | | | trans | 66.4 | 146.4 | 133.9 | -50.7 | 0 | 0 | 0 | 0 | 121.3 | | |
| 263 | S | 48.4 | Very low | 41.4 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | | | trans | 77.4 | 137.8 | 171.5 | 78.7 | 0 | 0 | 0 | 0 | 116.1 | | |
| 264 | S | 40.8 | Very low | 42.3 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | | | cis | -133.7 | 145.3 | -0.6 | -67.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 265 | D | 51.1 | Low | 43.1 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | | | trans | -63.7 | 133.3 | 162.1 | -61.1 | -77.8 | 0 | 0 | 0 | 110.2 | | |
| 266 | L | 38.6 | Very low | 43.7 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | | | trans | -116.9 | 71.1 | 156.5 | -169.8 | 65.7 | 0 | 0 | 0 | 108.7 | I268 | L266-I268 PolarHBondContact O-N 3.22Š|
| 267 | T | 48.9 | Very low | 44 | Very low | 101 Ų | 101 | 139.7 Ų | 139.7 | 62% | 0.62 | 76% | 0.761 | S | S | * | * | | | trans | -54.5 | 121.6 | 152.2 | 47.8 | 0 | 0 | 0 | 0 | 107.5 | S269 | T267-S269 PolarHBondContact O-N 3.27Š|
| 268 | I | 47.9 | Very low | 44.3 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | | | trans | -72.6 | 89.2 | 171 | -56.3 | 175.6 | 0 | 0 | 0 | 106.5 | L266 I270 | L266-I268 PolarHBondContact O-N 3.22Å; I268-I270 VanDerWaalsContact C-N 3.28Å; I268-I270 PolarHBondContact O-N 3.5Å |
| 269 | S | 43 | Very low | 44.9 | Very low | 101 Ų | 101 | 137.5 Ų | 137.5 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | trans | -68.6 | 89.1 | 174.5 | -59.3 | 0 | 0 | 0 | 0 | 109.2 | T267 S271 | T267-S269 PolarHBondContact O-N 3.27Å; S269-S271 VanDerWaalsContact C-N 3.34Å; S269-S271 PolarHBondContact O-N 3.21Å; S269-S271 VanDerWaalsContact O-N 3.07Å |
| 270 | I | 48.6 | Very low | 45.6 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | | | trans | -61.4 | 101.8 | 152.2 | 41.5 | 169.6 | 0 | 0 | 0 | 107.2 | I268 | I268-I270 VanDerWaalsContact C-N 3.28Å; I268-I270 PolarHBondContact O-N 3.5Å |
| 271 | S | 44.5 | Very low | 45.8 | Very low | 74 Ų | 74 | 134.7 Ų | 134.7 | 52% | 0.517 | 76% | 0.759 | S | S | . | * | | | trans | -64.4 | 134.4 | 160.2 | 156.3 | 0 | 0 | 0 | 0 | 107.5 | S269 D273 | S269-S271 VanDerWaalsContact C-N 3.34Å; S269-S271 PolarHBondContact O-N 3.21Å; S269-S271 VanDerWaalsContact O-N 3.07Å; S271-D273 VanDerWaalsContact C-N 3.26Å; S271-D273 WeakPolarHBondContact OG-CB 3.37Å; S271-D273 PolarHBondContact OG-N 3.18Å; S271-D273 PolarHBondContact OG-OD2 3.3Å |
| 272 | E | 54.9 | Low | 46.5 | Very low | 179 Ų | 179 | 135 Ų | 135 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -89.1 | 3.8 | 179.1 | 55.6 | -171.5 | -168.9 | 0 | 0 | 112.3 | | |
| 273 | D | 54.5 | Low | 46.6 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 57% | 0.567 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -91.5 | -26.4 | -163.6 | -48.4 | -87.4 | 0 | 0 | 0 | 113.9 | S271 L275 | S271-D273 VanDerWaalsContact C-N 3.26Å; S271-D273 WeakPolarHBondContact OG-CB 3.37Å; S271-D273 PolarHBondContact OG-N 3.18Å; S271-D273 PolarHBondContact OG-OD2 3.3Å; D273-L275 VanDerWaalsContact C-N 3.35Å; D273-L275 PolarHBondContact O-N 3.04Å |
| 274 | D | 53.7 | Low | 46.4 | Very low | 157 Ų | 157 | 136.7 Ų | 136.7 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 7.5 | -176.2 | -86.8 | -23.1 | 0 | 0 | 0 | 114.6 | | |
| 275 | L | 50.8 | Low | 46.2 | Very low | 158 Ų | 158 | 139 Ų | 139 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 22.7 | 173.8 | -71.7 | -179 | 0 | 0 | 0 | 114.1 | D273 L277 | D273-L275 VanDerWaalsContact C-N 3.35Å; D273-L275 PolarHBondContact O-N 3.04Å; L275-L277 PolarHBondContact O-N 3.36Å |
| 276 | I | 49.6 | Very low | 46 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | | | trans | -72.9 | 74.7 | 161.4 | -52.1 | 175.4 | 0 | 0 | 0 | 108.8 | E278 | I276-E278 PolarHBondContact O-N 3.01Å; I276-E278 VanDerWaalsContact O-N 3.08Å |
| 277 | L | 44.5 | Very low | 46 | Very low | 158 Ų | 158 | 134 Ų | 134 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | | | trans | -67.8 | 102.3 | 155.4 | -82.6 | 178.4 | 0 | 0 | 0 | 107.4 | L275 S279 | L275-L277 PolarHBondContact O-N 3.36Å; L277-S279 PolarHBondContact O-N 3.24Å |
| 278 | E | 44 | Very low | 45.1 | Very low | 179 Ų | 179 | 132.6 Ų | 132.6 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | | | trans | -34.6 | 94.8 | 177.8 | -171.1 | 174.8 | -170.1 | 0 | 0 | 112.8 | I276 P280 | I276-E278 PolarHBondContact O-N 3.01Å; I276-E278 VanDerWaalsContact O-N 3.08Å; E278-P280 WeakPolarHBondContact O-CD 3.49Å |
| 279 | S | 42.4 | Very low | 45.1 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 117.4 | 174.2 | 50.1 | 0 | 0 | 0 | 0 | 108.4 | L277 E281 | L277-S279 PolarHBondContact O-N 3.24Å; S279-E281 PolarHBondContact O-N 3.43Å |
| 280 | P | 44.6 | Very low | 45.3 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 127.5 | -174 | 23.1 | -33 | 0 | 0 | 0 | 110.6 | E278 | E278-P280 WeakPolarHBondContact O-CD 3.49Š|
| 281 | E | 41.5 | Very low | 45 | Very low | 169 Ų | 169 | 141 Ų | 141 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 127.9 | -168.9 | -169.2 | 175.2 | -156.1 | 0 | 0 | 111.9 | S279 Q283 | S279-E281 PolarHBondContact O-N 3.43Å; E281-Q283 PolarHBondContact O-N 2.81Å |
| 282 | P | 44.1 | Very low | 44.9 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | | | trans | -69 | 105.2 | -177.5 | 27 | -33.6 | 0 | 0 | 0 | 110.7 | | |
| 283 | Q | 43.3 | Very low | 44.3 | Very low | 164 Ų | 164 | 141.1 Ų | 141.1 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | | | trans | -47.8 | 129.7 | 178.7 | -73.4 | -74.6 | -63.7 | 0 | 0 | 112 | E281 N285 | E281-Q283 PolarHBondContact O-N 2.81Å; Q283-N285 PolarHBondContact O-N 3.27Å; Q283-N285 VanDerWaalsContact O-N 3.15Å |
| 284 | P | 43 | Very low | 43.4 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | | | trans | -70.5 | 112.5 | 178.3 | 28.1 | -33.3 | 0 | 0 | 0 | 110.3 | P286 | P284-P286 WeakPolarHBondContact O-CD 3.4Š|
| 285 | N | 36.4 | Very low | 43.2 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | | | trans | -55.8 | 118.7 | 175.5 | -96.9 | -41.4 | 0 | 0 | 0 | 110.9 | Q283 G287 | Q283-N285 PolarHBondContact O-N 3.27Å; Q283-N285 VanDerWaalsContact O-N 3.15Å; N285-G287 PolarHBondContact O-N 3.36Å |
| 286 | P | 46.6 | Very low | 43 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | | | trans | -72.8 | 116.8 | 178.4 | 28.8 | -33 | 0 | 0 | 0 | 110.1 | P284 G288 | P284-P286 WeakPolarHBondContact O-CD 3.4Å; P286-G288 PolarHBondContact O-N 3.03Å |
| 287 | G | 38.4 | Very low | 42.9 | Very low | 87 Ų | 87 | 141.7 Ų | 141.7 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | | | trans | -67.8 | 95.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N285 | N285-G287 PolarHBondContact O-N 3.36Š|
| 288 | G | 31.1 | Very low | 42.8 | Very low | 72 Ų | 72 | 139 Ų | 139 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | | | trans | -111.5 | 149.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P286 | P286-G288 PolarHBondContact O-N 3.03Š|
| 289 | K | 48.5 | Very low | 42.7 | Very low | 212 Ų | 212 | 138.8 Ų | 138.8 | 92% | 0.922 | 81% | 0.811 | S | S | * | * | | | trans | -119.2 | 118.7 | -171.9 | -55.2 | -178.3 | -172.4 | -179.9 | 0 | 112.8 | | |
| 290 | M | 45.8 | Very low | 42.9 | Very low | 178 Ų | 178 | 142.6 Ų | 142.6 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | | | trans | -157.3 | 130.4 | 143.3 | 55 | -165.6 | -175.6 | 0 | 0 | 105.8 | | |
| 291 | E | 43.8 | Very low | 43 | Very low | 197 Ų | 197 | 144.5 Ų | 144.5 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | | | cis | 72.4 | 127.1 | 48.5 | -168.4 | 169.6 | -125.9 | 0 | 0 | 112 | | |
| 292 | G | 41.8 | Very low | 42.9 | Very low | 58 Ų | 58 | 144.3 Ų | 144.3 | 60% | 0.598 | 82% | 0.82 | S | S | * | * | | | trans | 95.9 | 85.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 293 | E | 41.5 | Very low | 42.6 | Very low | 197 Ų | 197 | 147.7 Ų | 147.7 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | | | trans | 65.7 | 169.3 | 131.8 | -69.9 | 159.9 | 125.3 | 0 | 0 | 122 | | |
| 294 | D | 36.6 | Very low | 42.6 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 88% | 0.877 | 83% | 0.828 | S | S | * | * | | | trans | 32.7 | 113.2 | -176.8 | -79.3 | -3.5 | 0 | 0 | 0 | 121.2 | | |
| 295 | G | 48.2 | Very low | 42.4 | Very low | 64 Ų | 64 | 147.9 Ų | 147.9 | 66% | 0.66 | 83% | 0.833 | S | S | * | * | | | trans | -83.1 | -171 | 154 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 296 | I | 46.9 | Very low | 42.5 | Very low | 174 Ų | 174 | 149.2 Ų | 149.2 | 89% | 0.892 | 84% | 0.835 | S | S | * | * | | | trans | 76.9 | 59.8 | 179.7 | -35.1 | 163.5 | 0 | 0 | 0 | 115.3 | | |
| 297 | E | 47.8 | Very low | 42 | Very low | 170 Ų | 170 | 152.3 Ų | 152.3 | 79% | 0.794 | 84% | 0.839 | S | S | * | * | | | trans | -150.2 | 5.6 | 147.1 | -125.8 | 175.5 | -143.5 | 0 | 0 | 117.4 | L299 | E297-L299 VanDerWaalsContact C-N 3.27Å; E297-L299 PolarHBondContact O-N 2.96Å |
| 298 | A | 42.6 | Very low | 42.3 | Very low | 102 Ų | 102 | 159.2 Ų | 159.2 | 84% | 0.843 | 84% | 0.838 | S | S | * | * | | | trans | -78.3 | 32.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 299 | L | 42.3 | Very low | 42.6 | Very low | 175 Ų | 175 | 162.5 Ų | 162.5 | 92% | 0.916 | 84% | 0.843 | S | S | * | * | | | trans | -138 | 50.7 | -179.7 | -74.5 | 178.7 | 0 | 0 | 0 | 113.5 | E297 | E297-L299 VanDerWaalsContact C-N 3.27Å; E297-L299 PolarHBondContact O-N 2.96Å |
| 300 | K | 46.2 | Very low | 42.3 | Very low | 184 Ų | 184 | 156.5 Ų | 156.5 | 80% | 0.8 | 83% | 0.833 | S | S | * | * | | | trans | -140.2 | 18.4 | -177.4 | -119.9 | 177.3 | -173.6 | 174.5 | 0 | 116.8 | | |
| 301 | L | 46 | Very low | 41.8 | Very low | 161 Ų | 161 | 155.8 Ų | 155.8 | 84% | 0.843 | 83% | 0.832 | S | S | * | * | | | trans | -136.7 | 62 | -175.8 | -162.2 | 70.7 | 0 | 0 | 0 | 114.7 | | |
| 302 | I | 39.8 | Very low | 41.5 | Very low | 165 Ų | 165 | 152.3 Ų | 152.3 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | | | trans | -139.8 | 84.7 | 157.4 | -51 | 178.3 | 0 | 0 | 0 | 108.9 | | |
| 303 | H | 38.8 | Very low | 41.3 | Very low | 187 Ų | 187 | 155 Ų | 155 | 87% | 0.866 | 83% | 0.834 | S | S | * | * | | | trans | -162.2 | 30.9 | 163.2 | -126 | -71.3 | 0 | 0 | 0 | 114.4 | | |
| 304 | A | 42.8 | Very low | 40.6 | Very low | 100 Ų | 100 | 153.7 Ų | 153.7 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | | | trans | -121.7 | 34.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 305 | E | 39.6 | Very low | 41 | Very low | 181 Ų | 181 | 154.8 Ų | 154.8 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -139.4 | 43 | 177.1 | -156.3 | 171.8 | -155.8 | 0 | 0 | 113.5 | | |
| 306 | Q | 37.3 | Very low | 40.3 | Very low | 188 Ų | 188 | 159.6 Ų | 159.6 | 88% | 0.879 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -142.5 | 40.7 | 172 | -154.1 | 170.3 | -2.1 | 0 | 0 | 114.4 | | |
| 307 | E | 36.5 | Very low | 39.5 | Very low | 182 Ų | 182 | 156.8 Ų | 156.8 | 85% | 0.85 | 83% | 0.83 | S | S | * | * | | | trans | -143.7 | 63 | 171.1 | -161.9 | 179.2 | -174.5 | 0 | 0 | 111.9 | | |
| 308 | R | 44.1 | Very low | 39.1 | Very low | 232 Ų | 232 | 156.9 Ų | 156.9 | 88% | 0.875 | 83% | 0.834 | S | S | * | * | | | trans | -141.1 | 35.9 | 173.5 | -80 | -148.5 | -76.7 | -121.9 | 2.4 | 115.4 | | |
| 309 | V | 37.1 | Very low | 38.7 | Very low | 142 Ų | 142 | 159 Ų | 159 | 86% | 0.861 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -141.5 | 127.5 | 160.9 | -175.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 310 | A | 43.1 | Very low | 38.1 | Very low | 85 Ų | 85 | 159.3 Ų | 159.3 | 70% | 0.702 | 83% | 0.827 | S | S | * | * | | | trans | 61.5 | 142.8 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 311 | L | 34.1 | Very low | 37.2 | Very low | 164 Ų | 164 | 155.5 Ų | 155.5 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | | | cis | -115.7 | 145.4 | 16 | -68.6 | 159.3 | 0 | 0 | 0 | 113 | | |
| 312 | S | 38.6 | Very low | 36.4 | Very low | 123 Ų | 123 | 155.2 Ų | 155.2 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | | | trans | -115 | 86.6 | 173.4 | 60.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 313 | T | 37.5 | Very low | 35.9 | Very low | 115 Ų | 115 | 151.9 Ų | 151.9 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | | | trans | -137.8 | 111.4 | 177.4 | -38.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 314 | E | 26.9 | Very low | 35.7 | Very low | 170 Ų | 170 | 148.5 Ų | 148.5 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | | | trans | 54.4 | 81.6 | 141.9 | -155.4 | 141 | -136.9 | 0 | 0 | 120.2 | | |
| 315 | K | 44.3 | Very low | 35.6 | Very low | 187 Ų | 187 | 149.9 Ų | 149.9 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | | | trans | 12.6 | 117.5 | 132.2 | -57.9 | 172.3 | -175.7 | 172.4 | 0 | 117.2 | | |
| 316 | N | 33.9 | Very low | 35 | Very low | 164 Ų | 164 | 148.9 Ų | 148.9 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | | | trans | -147.9 | 91.7 | 138 | -98.8 | -56.2 | 0 | 0 | 0 | 110 | | |
| 317 | C | 30.1 | Very low | 34.8 | Very low | 115 Ų | 115 | 144.4 Ų | 144.4 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | | | trans | -92.2 | 114.1 | 177.6 | -56.9 | 0 | 0 | 0 | 0 | 110 | | |
| 318 | I | 39.5 | Very low | 34.6 | Very low | 172 Ų | 172 | 143 Ų | 143 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | | | trans | -114.2 | 110 | 154.7 | -61.5 | -178.6 | 0 | 0 | 0 | 106.3 | | |
| 319 | L | 34.9 | Very low | 34.1 | Very low | 146 Ų | 146 | 139 Ų | 139 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | | | trans | -78.6 | 179.4 | 173.9 | -68.9 | 169.7 | 0 | 0 | 0 | 110.2 | | |
| 320 | Q | 28.5 | Very low | 33.7 | Very low | 182 Ų | 182 | 139.1 Ų | 139.1 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | | | trans | 81.5 | 139.1 | 164 | -58.2 | -169.7 | -1.6 | 0 | 0 | 114.5 | | |
| 321 | T | 28.3 | Very low | 33.1 | Very low | 104 Ų | 104 | 140.8 Ų | 140.8 | 64% | 0.638 | 78% | 0.778 | S | S | * | * | | | cis | -166.5 | 139.8 | 0.4 | -122 | 0 | 0 | 0 | 0 | 112.8 | | |
| 322 | L | 28.9 | Very low | 33 | Very low | 156 Ų | 156 | 137.6 Ų | 137.6 | 82% | 0.817 | 77% | 0.769 | S | S | * | * | | | trans | 59.4 | 158.7 | 161.8 | -57.2 | 171.4 | 0 | 0 | 0 | 116.4 | | |
| 323 | S | 29.1 | Very low | 32.7 | Very low | 95 Ų | 95 | 137 Ų | 137 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | | | cis | -161.8 | 160.1 | -20.1 | -104.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 324 | S | 35.5 | Very low | 32.4 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | | | trans | -64.8 | 159.5 | 157.3 | -48.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 325 | P | 38.9 | Very low | 32.7 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | | | | -125 | 158.2 | 117.7 | 36.1 | -33.1 | 0 | 0 | 0 | 113.1 | | |
| 326 | D | 28.1 | Very low | 32.5 | Very low | 161 Ų | 161 | 131.6 Ų | 131.6 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | | | trans | -95.6 | -175.2 | 173.6 | -163 | -3.8 | 0 | 0 | 0 | 109.9 | | |
| 327 | S | 32.4 | Very low | 32.2 | Very low | 93 Ų | 93 | 129.8 Ų | 129.8 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | | | trans | 92.5 | 99.9 | 163.4 | -153.4 | 0 | 0 | 0 | 0 | 118.7 | | |
| 328 | E | 33.1 | Very low | 32.3 | Very low | 154 Ų | 154 | 135.9 Ų | 135.9 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | | | | 60.5 | 141.3 | 124.7 | -68.2 | -164.1 | -155.9 | 0 | 0 | 124.4 | | |
| 329 | K | 32.9 | Very low | 32 | Very low | 148 Ų | 148 | 135.7 Ų | 135.7 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | | | trans | 84.2 | 117.9 | 141.3 | -81.7 | 166.9 | 170.6 | -78.3 | 0 | 122.2 | | |
| 330 | E | 29.3 | Very low | 32.2 | Very low | 144 Ų | 144 | 134.8 Ų | 134.8 | 67% | 0.673 | 76% | 0.759 | S | S | * | * | | | | 69.7 | 106.3 | 129.4 | -69.4 | 169.6 | -147.1 | 0 | 0 | 120.9 | | |
| 331 | S | 30.1 | Very low | 32.1 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | | | trans | 71.7 | 170.3 | 135.8 | 88.2 | 0 | 0 | 0 | 0 | 116.2 | | |
| 332 | S | 31.5 | Very low | 32.1 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | | | cis | -154.2 | 146.9 | -34 | 166.6 | 0 | 0 | 0 | 0 | 107.1 | | |
| 333 | T | 32.2 | Very low | 32.4 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | | | trans | 21.1 | 108.5 | 152.7 | -32.5 | 0 | 0 | 0 | 0 | 117.9 | | |
| 334 | N | 31.7 | Very low | 33 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | | | | 179 | 142.4 | 116.1 | -92.3 | -52.7 | 0 | 0 | 0 | 113 | | |
| 335 | A | 33.7 | Very low | 33 | Very low | 85 Ų | 85 | 134.6 Ų | 134.6 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | | | trans | -92.9 | -175.3 | 162 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 336 | P | 40 | Very low | 32.8 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | cis | -149.5 | -175.6 | 13.6 | 46.9 | -27.2 | 0 | 0 | 0 | 118.1 | | |
| 337 | T | 28 | Very low | 33.2 | Very low | 126 Ų | 126 | 133 Ų | 133 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | trans | 59.3 | 108 | 147.7 | -52.5 | 0 | 0 | 0 | 0 | 120.3 | | |
| 338 | R | 32.1 | Very low | 33.6 | Very low | 242 Ų | 242 | 134.2 Ų | 134.2 | 91% | 0.913 | 76% | 0.76 | S | S | * | * | | | | -170.2 | 111.5 | 120 | -107.7 | 170.3 | -174.8 | 151.6 | 3.1 | 114.4 | | |
| 339 | E | 32.9 | Very low | 33.9 | Very low | 168 Ų | 168 | 132.1 Ų | 132.1 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | | | trans | -75.1 | 171.3 | 146.6 | -72.3 | -62 | 149.5 | 0 | 0 | 109.7 | | |
| 340 | P | 39.1 | Very low | 34.5 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | cis | -132.1 | 171.8 | 9.9 | 42.1 | -26.6 | 0 | 0 | 0 | 116.2 | | |
| 341 | G | 25.8 | Very low | 35.4 | Very low | 63 Ų | 63 | 133.6 Ų | 133.6 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | | | trans | -173 | 57.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 342 | Q | 29.2 | Very low | 36.1 | Very low | 201 Ų | 201 | 134.5 Ų | 134.5 | 94% | 0.939 | 76% | 0.76 | S | S | * | * | | | trans | 60.7 | 135.5 | 159.8 | -62.3 | 179.3 | -98.7 | 0 | 0 | 120.1 | | |
| 343 | T | 34.4 | Very low | 36.7 | Very low | 129 Ų | 129 | 136 Ų | 136 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | -81.8 | 164.8 | 164.5 | 57.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 344 | P | 42.7 | Very low | 37.3 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | | | | -132 | 135.9 | 81 | 36.5 | -25.2 | 0 | 0 | 0 | 115 | | |
| 345 | D | 34.8 | Very low | 38.1 | Very low | 134 Ų | 134 | 131.5 Ų | 131.5 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | | | | 32.7 | 122.4 | 127.1 | -148.7 | -12.8 | 0 | 0 | 0 | 120.2 | | |
| 346 | S | 35.4 | Very low | 38.5 | Very low | 104 Ų | 104 | 133.5 Ų | 133.5 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | | | trans | -159.1 | 74.7 | 169.2 | -171.2 | 0 | 0 | 0 | 0 | 110.1 | V348 | S346-V348 PolarHBondContact O-N 3.03Å; S346-V348 VanDerWaalsContact O-N 3.11Å |
| 347 | D | 36 | Very low | 38.7 | Very low | 153 Ų | 153 | 133.2 Ų | 133.2 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | | | trans | -61.6 | 106.3 | 171.9 | -98.2 | -25.7 | 0 | 0 | 0 | 111.3 | | |
| 348 | V | 41 | Very low | 39.8 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 71% | 0.709 | 72% | 0.721 | S | S | * | * | | | trans | -103.7 | 112 | 173.2 | 179.6 | 0 | 0 | 0 | 0 | 109.6 | S346 R350 | S346-V348 PolarHBondContact O-N 3.03Å; S346-V348 VanDerWaalsContact O-N 3.11Å; V348-R350 PolarHBondContact O-N 2.79Å; V348-R350 VanDerWaalsContact O-N 3.07Å |
| 349 | P | 39.8 | Very low | 40.7 | Very low | 111 Ų | 111 | 121.3 Ų | 121.3 | 72% | 0.721 | 70% | 0.696 | S | S | * | * | | | trans | -73.5 | 105.1 | -173.8 | 28.2 | -34.4 | 0 | 0 | 0 | 111.9 | A351 | P349-A351 PolarHBondContact O-N 2.79Š|
| 350 | R | 45.5 | Very low | 41.3 | Very low | 260 Ų | 260 | 119 Ų | 119 | 98% | 0.981 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 60.5 | 176.2 | -162.9 | -172.4 | -171.8 | -154.7 | 3.1 | 112.4 | V348 | V348-R350 PolarHBondContact O-N 2.79Å; V348-R350 VanDerWaalsContact O-N 3.07Å |
| 351 | A | 46.5 | Very low | 41.7 | Very low | 63 Ų | 63 | 120 Ų | 120 | 52% | 0.521 | 68% | 0.679 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121 | -36.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | P349 V353 | P349-A351 PolarHBondContact O-N 2.79Å; A351-V353 PolarHBondContact O-N 3.08Å |
| 352 | Q | 45.5 | Very low | 42.8 | Very low | 138 Ų | 138 | 123.8 Ų | 123.8 | 65% | 0.645 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -30.3 | -166.7 | -78.6 | 178.4 | -26.6 | 0 | 0 | 115.4 | G354 Q355 H356 | Q352-G354 PolarHBondContact O-N 3.12Å; Q352-G354 VanDerWaalsContact O-N 3.12Å; Q352-Q355 PolarHBondContact O-N 3.09Å; Q352-H356 PolarHBondContact O-CD2 3.32Å; Q352-H356 VanDerWaalsContact O-CD2 3.28Å |
| 353 | V | 43.7 | Very low | 43.8 | Very low | 127 Ų | 127 | 120.2 Ų | 120.2 | 77% | 0.77 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -60.1 | -28.3 | -177.8 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | A351 | A351-V353 PolarHBondContact O-N 3.08Å |
| 354 | G | 45.4 | Very low | 44.5 | Very low | 54 Ų | 54 | 119.4 Ų | 119.4 | 56% | 0.557 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -75.7 | -25.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q352 | Q352-G354 PolarHBondContact O-N 3.12Å; Q352-G354 VanDerWaalsContact O-N 3.12Å |
| 355 | Q | 48.9 | Very low | 45.1 | Very low | 125 Ų | 125 | 118 Ų | 118 | 58% | 0.584 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -77 | -43.7 | -174.8 | -72.5 | -178.1 | -52.9 | 0 | 0 | 112.3 | Q352 V357 A358 T359 | Q352-Q355 PolarHBondContact O-N 3.09Å; Q355-V357 VanDerWaalsContact C-N 3.27Å; Q355-V357 PolarHBondContact O-N 3.49Å; Q355-A358 WeakPolarHBondContact O-CB 3.49Å; Q355-A358 PolarHBondContact O-N 2.94Å; Q355-A358 VanDerWaalsContact O-N 3.07Å; Q355-T359 PolarHBondContact O-N 3.34Å; Q355-T359 PolarHBondContact O-OG1 2.78Å |
| 356 | H | 41 | Very low | 46.2 | Very low | 128 Ų | 128 | 115 Ų | 115 | 59% | 0.593 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.6 | -30.3 | -177.7 | -61 | -67.9 | 0 | 0 | 0 | 113.6 | Q352 T359 L360 | Q352-H356 PolarHBondContact O-CD2 3.32Å; Q352-H356 VanDerWaalsContact O-CD2 3.28Å; H356-T359 PolarHBondContact O-OG1 2.93Å; H356-L360 PolarHBondContact O-N 3.06Å |
| 357 | V | 45.9 | Very low | 47.2 | Very low | 106 Ų | 106 | 114.8 Ų | 114.8 | 64% | 0.642 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -75.1 | -32.6 | 175.3 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | Q355 | Q355-V357 VanDerWaalsContact C-N 3.27Å; Q355-V357 PolarHBondContact O-N 3.49Å |
| 358 | A | 50 | Low | 48.5 | Very low | 55 Ų | 55 | 114.3 Ų | 114.3 | 46% | 0.455 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -71.1 | -47.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q355 L360 K361 E362 | Q355-A358 WeakPolarHBondContact O-CB 3.49Å; Q355-A358 PolarHBondContact O-N 2.94Å; Q355-A358 VanDerWaalsContact O-N 3.07Å; A358-L360 PolarHBondContact O-N 3.25Å; A358-K361 PolarHBondContact O-N 3.09Å; A358-K361 VanDerWaalsContact O-N 3.17Å; A358-E362 PolarHBondContact O-N 3.14Å; A358-E362 VanDerWaalsContact O-N 3.14Å |
| 359 | T | 50.1 | Low | 49.6 | Very low | 63 Ų | 63 | 115.8 Ų | 115.8 | 39% | 0.387 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63.3 | -39.8 | -178.2 | 51.4 | 0 | 0 | 0 | 0 | 112.7 | Q355 H356 K361 E362 H363 | Q355-T359 PolarHBondContact O-N 3.34Å; Q355-T359 PolarHBondContact O-OG1 2.78Å; H356-T359 PolarHBondContact O-OG1 2.93Å; T359-K361 VanDerWaalsContact C-N 3.25Å; T359-K361 PolarHBondContact O-N 3.01Å; T359-E362 PolarHBondContact O-N 3.38Å; T359-H363 PolarHBondContact O-CD2 2.98Å; T359-H363 PolarHBondContact O-N 2.91Å |
| 360 | L | 46.3 | Very low | 50.7 | Low | 118 Ų | 118 | 116.2 Ų | 116.2 | 62% | 0.618 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -58.2 | -42.1 | 176.6 | -161.6 | 78.4 | 0 | 0 | 0 | 111 | H356 A358 H363 D364 | H356-L360 PolarHBondContact O-N 3.06Å; A358-L360 PolarHBondContact O-N 3.25Å; L360-H363 PolarHBondContact O-N 3.01Å; L360-D364 PolarHBondContact O-N 3.05Å |
| 361 | K | 47 | Very low | 51.5 | Low | 149 Ų | 149 | 106.2 Ų | 106.2 | 65% | 0.648 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -72.3 | -26.4 | -179 | -168.4 | 172.5 | -179.2 | 177.7 | 0 | 113.7 | A358 T359 N365 | A358-K361 PolarHBondContact O-N 3.09Å; A358-K361 VanDerWaalsContact O-N 3.17Å; T359-K361 VanDerWaalsContact C-N 3.25Å; T359-K361 PolarHBondContact O-N 3.01Å; K361-N365 PolarHBondContact O-ND2 3.3Å |
| 362 | E | 49.7 | Very low | 52.4 | Low | 143 Ų | 143 | 106.1 Ų | 106.1 | 67% | 0.668 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -72.1 | -39.9 | 170.8 | -76.7 | -171.1 | 128.1 | 0 | 0 | 111.9 | A358 T359 D364 N365 S366 | A358-E362 PolarHBondContact O-N 3.14Å; A358-E362 VanDerWaalsContact O-N 3.14Å; T359-E362 PolarHBondContact O-N 3.38Å; E362-D364 PolarHBondContact O-N 3.16Å; E362-N365 PolarHBondContact O-N 2.95Å; E362-S366 PolarHBondContact O-N 2.96Å |
| 363 | H | 49.3 | Very low | 53.5 | Low | 125 Ų | 125 | 102.1 Ų | 102.1 | 58% | 0.579 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -60.9 | -43.1 | 178.2 | -68.4 | -55.4 | 0 | 0 | 0 | 112.6 | T359 L360 N365 S366 V367 | T359-H363 PolarHBondContact O-CD2 2.98Å; T359-H363 PolarHBondContact O-N 2.91Å; L360-H363 PolarHBondContact O-N 3.01Å; H363-N365 VanDerWaalsContact C-N 3.26Å; H363-N365 PolarHBondContact O-N 3.17Å; H363-S366 PolarHBondContact O-N 3.27Å; H363-V367 WeakPolarHBondContact O-CG2 3.39Å; H363-V367 PolarHBondContact O-N 3.02Å; H363-V367 VanDerWaalsContact O-N 3.08Å |
| 364 | D | 50.4 | Low | 54.5 | Low | 112 Ų | 112 | 101 Ų | 101 | 60% | 0.599 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59 | -34.3 | 175.6 | -74.8 | -23.7 | 0 | 0 | 0 | 113.3 | L360 E362 K368 | L360-D364 PolarHBondContact O-N 3.05Å; E362-D364 PolarHBondContact O-N 3.16Å; D364-K368 WeakPolarHBondContact O-CB 3.39Å; D364-K368 PolarHBondContact O-N 3.36Å |
| 365 | N | 55.7 | Low | 55.6 | Low | 94 Ų | 94 | 104.1 Ų | 104.1 | 50% | 0.503 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -80.3 | -37.9 | 178.8 | -74.5 | -74.4 | 0 | 0 | 0 | 111.9 | K361 E362 H363 K368 E369 | K361-N365 PolarHBondContact O-ND2 3.3Å; E362-N365 PolarHBondContact O-N 2.95Å; H363-N365 VanDerWaalsContact C-N 3.26Å; H363-N365 PolarHBondContact O-N 3.17Å; N365-K368 PolarHBondContact O-N 3.49Å; N365-E369 PolarHBondContact O-N 3.08Å |
| 366 | S | 56.8 | Low | 56.5 | Low | 71 Ų | 71 | 107 Ų | 107 | 50% | 0.497 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.1 | -50 | 176.9 | -173.5 | 0 | 0 | 0 | 0 | 112.2 | E362 H363 K368 E369 E370 | E362-S366 PolarHBondContact O-N 2.96Å; H363-S366 PolarHBondContact O-N 3.27Å; S366-K368 VanDerWaalsContact C-N 3.26Å; S366-K368 PolarHBondContact O-N 3.44Å; S366-E369 PolarHBondContact O-N 3.17Å; S366-E370 PolarHBondContact O-N 2.76Å |
| 367 | V | 57.1 | Low | 57.6 | Low | 98 Ų | 98 | 107.7 Ų | 107.7 | 59% | 0.594 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62 | -36 | 178.9 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | H363 A371 | H363-V367 WeakPolarHBondContact O-CG2 3.39Å; H363-V367 PolarHBondContact O-N 3.02Å; H363-V367 VanDerWaalsContact O-N 3.08Å; V367-A371 WeakPolarHBondContact O-CB 3.42Å; V367-A371 PolarHBondContact O-N 2.87Å |
| 368 | K | 63.5 | Low | 58.2 | Low | 143 Ų | 143 | 105.5 Ų | 105.5 | 62% | 0.622 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.1 | -41.9 | 176.4 | -175.7 | 178.9 | 179.8 | -179.3 | 0 | 112.3 | D364 N365 S366 T372 | D364-K368 WeakPolarHBondContact O-CB 3.39Å; D364-K368 PolarHBondContact O-N 3.36Å; N365-K368 PolarHBondContact O-N 3.49Å; S366-K368 VanDerWaalsContact C-N 3.26Å; S366-K368 PolarHBondContact O-N 3.44Å; K368-T372 WeakPolarHBondContact O-CG2 3.42Å; K368-T372 PolarHBondContact O-N 3.15Å |
| 369 | E | 63.4 | Low | 58.4 | Low | 148 Ų | 148 | 109.3 Ų | 109.3 | 69% | 0.692 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.8 | -46.5 | 177.1 | -172.5 | 163.3 | -148 | 0 | 0 | 111.1 | N365 S366 A371 T372 A373 | N365-E369 PolarHBondContact O-N 3.08Å; S366-E369 PolarHBondContact O-N 3.17Å; E369-A371 PolarHBondContact O-N 3.29Å; E369-T372 PolarHBondContact O-N 2.88Å; E369-T372 PolarHBondContact O-OG1 3.07Å; E369-A373 PolarHBondContact O-N 2.76Å |
| 370 | E | 62.8 | Low | 58.5 | Low | 121 Ų | 121 | 111.2 Ų | 111.2 | 57% | 0.565 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -56.9 | -45.9 | 177.4 | -173.4 | 173.8 | -172.5 | 0 | 0 | 112.2 | S366 T372 A373 L374 | S366-E370 PolarHBondContact O-N 2.76Å; E370-T372 VanDerWaalsContact C-N 3.31Å; E370-T372 PolarHBondContact O-N 3.17Å; E370-A373 WeakPolarHBondContact O-CB 3.44Å; E370-A373 PolarHBondContact O-N 3.46Å; E370-A373 VanDerWaalsContact O-N 3.14Å; E370-L374 HydrophobicContact CG-CD1 4.27Å; E370-L374 WeakPolarHBondContact O-CG 3.5Å; E370-L374 PolarHBondContact O-N 3.31Å |
| 371 | A | 62.8 | Low | 58.7 | Low | 49 Ų | 49 | 111.6 Ų | 111.6 | 41% | 0.405 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59 | -39.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V367 E369 L375 | V367-A371 WeakPolarHBondContact O-CB 3.42Å; V367-A371 PolarHBondContact O-N 2.87Å; E369-A371 PolarHBondContact O-N 3.29Å; A371-L375 PolarHBondContact O-N 3.49Å; A371-L375 VanDerWaalsContact O-N 3.09Å |
| 372 | T | 65.8 | Low | 58.6 | Low | 62 Ų | 62 | 110.3 Ų | 110.3 | 38% | 0.38 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72.7 | -30.5 | 176 | 65.1 | 0 | 0 | 0 | 0 | 113.4 | K368 E369 E370 R376 | K368-T372 WeakPolarHBondContact O-CG2 3.42Å; K368-T372 PolarHBondContact O-N 3.15Å; E369-T372 PolarHBondContact O-N 2.88Å; E369-T372 PolarHBondContact O-OG1 3.07Å; E370-T372 VanDerWaalsContact C-N 3.31Å; E370-T372 PolarHBondContact O-N 3.17Å; T372-R376 WeakPolarHBondContact O-CG 3.37Å; T372-R376 PolarHBondContact O-N 2.93Å; T372-R376 VanDerWaalsContact O-N 3.09Å |
| 373 | A | 66.9 | Low | 58.5 | Low | 54 Ų | 54 | 107.5 Ų | 107.5 | 45% | 0.446 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68 | -43.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E369 E370 R376 K377 | E369-A373 PolarHBondContact O-N 2.76Å; E370-A373 WeakPolarHBondContact O-CB 3.44Å; E370-A373 PolarHBondContact O-N 3.46Å; E370-A373 VanDerWaalsContact O-N 3.14Å; A373-R376 PolarHBondContact O-N 3.17Å; A373-K377 PolarHBondContact O-N 3.47Å |
| 374 | L | 66.3 | Low | 58.4 | Low | 104 Ų | 104 | 104.8 Ų | 104.8 | 55% | 0.545 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.2 | -43.4 | 175.3 | -69.3 | 171.4 | 0 | 0 | 0 | 112 | E370 R376 K377 A378 | E370-L374 HydrophobicContact CG-CD1 4.27Å; E370-L374 WeakPolarHBondContact O-CG 3.5Å; E370-L374 PolarHBondContact O-N 3.31Å; L374-R376 PolarHBondContact O-N 2.83Å; L374-K377 PolarHBondContact O-N 3.01Å; L374-A378 PolarHBondContact O-N 3.04Å |
| 375 | L | 67.9 | Low | 58.2 | Low | 119 Ų | 119 | 109.6 Ų | 109.6 | 62% | 0.623 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.5 | -43.7 | 174.2 | -81.7 | 166.7 | 0 | 0 | 0 | 112.8 | A371 K377 A378 L379 | A371-L375 PolarHBondContact O-N 3.49Å; A371-L375 VanDerWaalsContact O-N 3.09Å; L375-K377 VanDerWaalsContact C-N 3.31Å; L375-K377 PolarHBondContact O-N 2.89Å; L375-A378 PolarHBondContact O-N 3.31Å; L375-L379 PolarHBondContact O-N 3.2Å |
| 376 | R | 67.4 | Low | 57.9 | Low | 186 Ų | 186 | 114.4 Ų | 114.4 | 70% | 0.702 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.6 | -35.3 | 176.1 | -75.8 | 172.9 | 174 | 163.5 | -0.6 | 112.6 | T372 A373 L374 T380 | T372-R376 WeakPolarHBondContact O-CG 3.37Å; T372-R376 PolarHBondContact O-N 2.93Å; T372-R376 VanDerWaalsContact O-N 3.09Å; A373-R376 PolarHBondContact O-N 3.17Å; L374-R376 PolarHBondContact O-N 2.83Å; R376-T380 PolarHBondContact O-N 3.05Å; R376-T380 PolarHBondContact O-OG1 3.42Å |
| 377 | K | 63.7 | Low | 57.6 | Low | 142 Ų | 142 | 116.3 Ų | 116.3 | 62% | 0.617 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.5 | -44.2 | 175.4 | -170.2 | 179.5 | 177.4 | -174.6 | 0 | 111.9 | A373 L374 L375 T380 E381 | A373-K377 PolarHBondContact O-N 3.47Å; L374-K377 PolarHBondContact O-N 3.01Å; L375-K377 VanDerWaalsContact C-N 3.31Å; L375-K377 PolarHBondContact O-N 2.89Å; K377-T380 PolarHBondContact O-N 3.15Å; K377-T380 PolarHBondContact O-OG1 2.77Å; K377-E381 PolarHBondContact O-N 3.37Å |
| 378 | A | 59 | Low | 57.2 | Low | 59 Ų | 59 | 115.4 Ų | 115.4 | 49% | 0.488 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -61.1 | -45.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L374 L375 T380 E381 E382 | L374-A378 PolarHBondContact O-N 3.04Å; L375-A378 PolarHBondContact O-N 3.31Å; A378-T380 VanDerWaalsContact C-N 3.26Å; A378-T380 PolarHBondContact O-N 3.33Å; A378-E381 PolarHBondContact O-N 3.32Å; A378-E382 PolarHBondContact O-N 3.24Å |
| 379 | L | 54.4 | Low | 56.2 | Low | 135 Ų | 135 | 115.9 Ų | 115.9 | 71% | 0.707 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.6 | -30.4 | -179.7 | -132.3 | 93.2 | 0 | 0 | 0 | 113.4 | L375 | L375-L379 PolarHBondContact O-N 3.2Å |
| 380 | T | 52.7 | Low | 55.1 | Low | 103 Ų | 103 | 116.5 Ų | 116.5 | 63% | 0.632 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -82 | -25 | 178.2 | 40 | 0 | 0 | 0 | 0 | 112.9 | R376 K377 A378 | R376-T380 PolarHBondContact O-N 3.05Å; R376-T380 PolarHBondContact O-OG1 3.42Å; K377-T380 PolarHBondContact O-N 3.15Å; K377-T380 PolarHBondContact O-OG1 2.77Å; A378-T380 VanDerWaalsContact C-N 3.26Å; A378-T380 PolarHBondContact O-N 3.33Å |
| 381 | E | 50.5 | Low | 53.9 | Low | 127 Ų | 127 | 116.4 Ų | 116.4 | 59% | 0.593 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -74.3 | -40.4 | 173.7 | -168.4 | 171.1 | 164.5 | 0 | 0 | 112.5 | K377 A378 C383 G384 | K377-E381 PolarHBondContact O-N 3.37Å; A378-E381 PolarHBondContact O-N 3.32Å; E381-C383 PolarHBondContact O-N 3.17Å; E381-G384 PolarHBondContact O-N 3.33Å |
| 382 | E | 44.2 | Very low | 53.1 | Low | 121 Ų | 121 | 119.1 Ų | 119.1 | 57% | 0.565 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -65 | -41.3 | 179.1 | -168.5 | -178.3 | 169.1 | 0 | 0 | 112.3 | A378 G384 R385 R386 | A378-E382 PolarHBondContact O-N 3.24Å; E382-G384 PolarHBondContact O-N 3.01Å; E382-G384 VanDerWaalsContact O-N 3.17Å; E382-R385 PolarHBondContact O-N 3.14Å; E382-R386 IonicContact OE1-NH1 3.5Å |
| 383 | C | 47 | Very low | 52.3 | Low | 84 Ų | 84 | 125.1 Ų | 125.1 | 57% | 0.568 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -58.7 | -30.8 | -178.5 | -168 | 0 | 0 | 0 | 0 | 113 | E381 R385 | E381-C383 PolarHBondContact O-N 3.17Å; C383-R385 VanDerWaalsContact C-N 3.28Å; C383-R385 PolarHBondContact O-N 3.17Å |
| 384 | G | 49 | Very low | 51 | Low | 68 Ų | 68 | 127.2 Ų | 127.2 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -12.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | E381 E382 | E381-G384 PolarHBondContact O-N 3.33Å; E382-G384 PolarHBondContact O-N 3.01Å; E382-G384 VanDerWaalsContact O-N 3.17Å |
| 385 | R | 46.4 | Very low | 49.7 | Very low | 214 Ų | 214 | 127.2 Ų | 127.2 | 81% | 0.808 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | 1.7 | -172 | -68.6 | -172.3 | -178.2 | -101.7 | 5.6 | 116 | E382 C383 | E382-R385 PolarHBondContact O-N 3.14Å; C383-R385 VanDerWaalsContact C-N 3.28Å; C383-R385 PolarHBondContact O-N 3.17Å |
| 386 | R | 48.2 | Very low | 48.1 | Very low | 195 Ų | 195 | 126.7 Ų | 126.7 | 74% | 0.736 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.8 | -11.8 | -179.3 | -75.5 | -178.2 | 164.8 | 171.7 | -6.7 | 115.8 | E382 A388 | E382-R386 IonicContact OE1-NH1 3.5Å; R386-A388 VanDerWaalsContact C-N 3.27Å; R386-A388 PolarHBondContact O-N 3.27Å |
| 387 | S | 51.3 | Low | 47 | Very low | 110 Ų | 110 | 123.2 Ų | 123.2 | 77% | 0.769 | 70% | 0.702 | S | S | * | * | | | trans | -81 | 64.8 | -179.2 | -60.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 388 | A | 47.3 | Very low | 46.1 | Very low | 79 Ų | 79 | 124 Ų | 124 | 65% | 0.653 | 71% | 0.713 | S | S | * | * | | | trans | -133.9 | 12.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R386 H390 | R386-A388 VanDerWaalsContact C-N 3.27Å; R386-A388 PolarHBondContact O-N 3.27Å; A388-H390 PolarHBondContact O-ND1 3.07Å |
| 389 | I | 42.7 | Very low | 45.2 | Very low | 153 Ų | 153 | 126.9 Ų | 126.9 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | | | trans | -88.8 | 115.5 | 167.7 | -56.4 | -178.9 | 0 | 0 | 0 | 108.3 | S391 | I389-S391 PolarHBondContact O-N 2.7Š|
| 390 | H | 40.4 | Very low | 44.4 | Very low | 161 Ų | 161 | 125.6 Ų | 125.6 | 75% | 0.745 | 73% | 0.728 | S | S | * | * | | | trans | -83.8 | 97.5 | -174 | 25.6 | -85.5 | 0 | 0 | 0 | 109.6 | A388 S392 | A388-H390 PolarHBondContact O-ND1 3.07Å; H390-S392 VanDerWaalsContact C-N 3.32Å; H390-S392 PolarHBondContact O-N 3.48Å |
| 391 | S | 38 | Very low | 44.2 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | | | trans | -67 | 87.1 | 171.9 | -60.8 | 0 | 0 | 0 | 0 | 110.7 | I389 | I389-S391 PolarHBondContact O-N 2.7Š|
| 392 | S | 46 | Very low | 43.7 | Very low | 106 Ų | 106 | 129 Ų | 129 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | | | trans | -67 | 134.3 | 169.9 | 49.4 | 0 | 0 | 0 | 0 | 110.6 | H390 S394 | H390-S392 VanDerWaalsContact C-N 3.32Å; H390-S392 PolarHBondContact O-N 3.48Å; S392-S394 PolarHBondContact O-N 2.81Å |
| 393 | E | 49.5 | Very low | 43.6 | Very low | 188 Ų | 188 | 129.2 Ų | 129.2 | 88% | 0.879 | 75% | 0.749 | S | S | * | * | | | trans | -67.6 | 94.1 | 177.1 | -67.6 | 176.7 | 105.1 | 0 | 0 | 110.7 | S395 | E393-S395 PolarHBondContact O-N 2.82Š|
| 394 | S | 39.3 | Very low | 43.4 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | | | trans | -76.8 | 85.2 | 172.8 | 178 | 0 | 0 | 0 | 0 | 110.5 | S392 C396 | S392-S394 PolarHBondContact O-N 2.81Å; S394-C396 PolarHBondContact O-N 2.85Å |
| 395 | S | 38.7 | Very low | 43.3 | Very low | 103 Ų | 103 | 135 Ų | 135 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | | | trans | -62.8 | 90.4 | 175.6 | -62.3 | 0 | 0 | 0 | 0 | 112.3 | E393 S397 | E393-S395 PolarHBondContact O-N 2.82Å; S395-S397 VanDerWaalsContact C-N 3.27Å; S395-S397 PolarHBondContact O-N 3.23Å |
| 396 | C | 34.7 | Very low | 43.1 | Very low | 108 Ų | 108 | 129.6 Ų | 129.6 | 73% | 0.73 | 75% | 0.754 | S | S | * | * | | | trans | -71.2 | 79.9 | 172.7 | -70.1 | 0 | 0 | 0 | 0 | 111.3 | S394 L398 | S394-C396 PolarHBondContact O-N 2.85Å; C396-L398 PolarHBondContact O-N 2.89Å; C396-L398 VanDerWaalsContact O-N 3.08Å |
| 397 | S | 43.5 | Very low | 43 | Very low | 113 Ų | 113 | 124.4 Ų | 124.4 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | | | trans | -59.6 | 108.8 | 168.9 | -63.7 | 0 | 0 | 0 | 0 | 110.2 | S395 | S395-S397 VanDerWaalsContact C-N 3.27Å; S395-S397 PolarHBondContact O-N 3.23Å |
| 398 | L | 45.8 | Very low | 42.7 | Very low | 160 Ų | 160 | 126.9 Ų | 126.9 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 136.7 | 172.1 | -65.5 | 174 | 0 | 0 | 0 | 109.7 | C396 S400 | C396-L398 PolarHBondContact O-N 2.89Å; C396-L398 VanDerWaalsContact O-N 3.08Å; L398-S400 PolarHBondContact O-N 3.46Å |
| 399 | P | 39 | Very low | 42.8 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 121.2 | 174 | 26.9 | -33 | 0 | 0 | 0 | 109.3 | I401 | P399-I401 PolarHBondContact O-N 3.37Å; P399-I401 VanDerWaalsContact O-N 3.17Å |
| 400 | S | 39.4 | Very low | 43 | Very low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 116.3 | 175.4 | 52.3 | 0 | 0 | 0 | 0 | 109.9 | L398 L402 | L398-S400 PolarHBondContact O-N 3.46Å; S400-L402 PolarHBondContact O-N 3.01Å |
| 401 | I | 46.8 | Very low | 43.1 | Very low | 166 Ų | 166 | 131.8 Ų | 131.8 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | | | trans | -63 | 104.4 | 170.1 | -64.8 | 174.3 | 0 | 0 | 0 | 107.5 | P399 N403 | P399-I401 PolarHBondContact O-N 3.37Å; P399-I401 VanDerWaalsContact O-N 3.17Å; I401-N403 PolarHBondContact O-N 3.5Å; I401-N403 VanDerWaalsContact O-N 3.11Å |
| 402 | L | 40.5 | Very low | 43.2 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 71% | 0.712 | 79% | 0.785 | S | S | * | * | | | trans | -77.6 | 100 | -177.2 | -149.1 | 171.8 | 0 | 0 | 0 | 108.4 | S400 D404 | S400-L402 PolarHBondContact O-N 3.01Å; L402-D404 HydrophobicContact CD2-CB 4.25Å; L402-D404 WeakPolarHBondContact CD2-OD2 3.3Å; L402-D404 PolarHBondContact O-N 3Å |
| 403 | N | 42.1 | Very low | 43 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 67% | 0.668 | 79% | 0.791 | S | S | * | * | | | trans | -75.8 | 66.3 | -176.6 | 179.1 | 36.2 | 0 | 0 | 0 | 112.3 | I401 N405 | I401-N403 PolarHBondContact O-N 3.5Å; I401-N403 VanDerWaalsContact O-N 3.11Å; N403-N405 PolarHBondContact O-ND2 3.04Å; N403-N405 VanDerWaalsContact O-ND2 3.15Å; N403-N405 PolarHBondContact OD1-ND2 3.05Å |
| 404 | D | 42.8 | Very low | 42.5 | Very low | 137 Ų | 137 | 132.5 Ų | 132.5 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | | | trans | -88.9 | 117.5 | 171.6 | -98.8 | -34.8 | 0 | 0 | 0 | 111.5 | L402 S406 | L402-D404 HydrophobicContact CD2-CB 4.25Å; L402-D404 WeakPolarHBondContact CD2-OD2 3.3Å; L402-D404 PolarHBondContact O-N 3Å; D404-S406 PolarHBondContact O-N 2.83Å |
| 405 | N | 47.9 | Very low | 42.4 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | | | trans | -96.2 | 90 | -171.7 | -75.7 | -100.7 | 0 | 0 | 0 | 110.8 | N403 | N403-N405 PolarHBondContact O-ND2 3.04Å; N403-N405 VanDerWaalsContact O-ND2 3.15Å; N403-N405 PolarHBondContact OD1-ND2 3.05Å |
| 406 | S | 41.6 | Very low | 42 | Very low | 101 Ų | 101 | 140 Ų | 140 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | | | trans | -142.4 | 123.6 | 164.6 | 65.1 | 0 | 0 | 0 | 0 | 111.3 | D404 | D404-S406 PolarHBondContact O-N 2.83Š|
| 407 | G | 46.2 | Very low | 42.1 | Very low | 86 Ų | 86 | 142.5 Ų | 142.5 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | | | trans | -77.7 | 132.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 408 | I | 44.6 | Very low | 41.6 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | | | trans | -129.7 | 155 | 168.4 | -20.4 | 179.9 | 0 | 0 | 0 | 109.1 | | |
| 409 | K | 48.7 | Very low | 41.3 | Very low | 197 Ų | 197 | 141.4 Ų | 141.4 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | | | trans | -81.8 | 163 | -160.6 | -59.3 | 175.5 | -177 | 177.1 | 0 | 113.1 | A411 | K409-A411 PolarHBondContact O-N 2.94Š|
| 410 | E | 47.7 | Very low | 41.2 | Very low | 205 Ų | 205 | 141.6 Ų | 141.6 | 96% | 0.958 | 80% | 0.797 | S | S | * | * | | | trans | -49.1 | 131.4 | 174.6 | -66.2 | -177.6 | 116.2 | 0 | 0 | 112.6 | | |
| 411 | A | 41.5 | Very low | 41.4 | Very low | 93 Ų | 93 | 142.1 Ų | 142.1 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | | | trans | -131.8 | 150.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109 | K409 | K409-A411 PolarHBondContact O-N 2.94Š|
| 412 | K | 41.3 | Very low | 41.1 | Very low | 199 Ų | 199 | 139.6 Ų | 139.6 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 143.2 | -170.3 | -60.5 | 168 | -176.3 | 174.3 | 0 | 111.6 | A414 | K412-A414 PolarHBondContact O-N 3.42Š|
| 413 | P | 42.3 | Very low | 41.5 | Very low | 133 Ų | 133 | 144.4 Ų | 144.4 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 129.8 | 174.6 | 26.4 | -34 | 0 | 0 | 0 | 110.4 | | |
| 414 | A | 37.2 | Very low | 42 | Very low | 97 Ų | 97 | 146.4 Ų | 146.4 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 159.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K412 W416 | K412-A414 PolarHBondContact O-N 3.42Å; A414-W416 PolarHBondContact O-N 3.24Å |
| 415 | V | 37.7 | Very low | 42.7 | Very low | 132 Ų | 132 | 148.2 Ų | 148.2 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 132.6 | -174.6 | 178 | 0 | 0 | 0 | 0 | 111.9 | L417 | V415-L417 PolarHBondContact O-N 3.28Š|
| 416 | W | 31.4 | Very low | 43.1 | Very low | 227 Ų | 227 | 146.2 Ų | 146.2 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 117.2 | 172.3 | -168.9 | 4 | 0 | 0 | 0 | 109.7 | A414 N418 | A414-W416 PolarHBondContact O-N 3.24Å; W416-N418 PolarHBondContact O-N 3.12Å; W416-N418 VanDerWaalsContact O-N 3.07Å |
| 417 | L | 36.9 | Very low | 44.8 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | -67.7 | 108.3 | 174 | -72 | 176.4 | 0 | 0 | 0 | 108.9 | V415 S419 | V415-L417 PolarHBondContact O-N 3.28Å; L417-S419 PolarHBondContact O-N 3Å |
| 418 | N | 33 | Very low | 46.3 | Very low | 141 Ų | 141 | 149.4 Ų | 149.4 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 120.5 | 172.7 | -67.1 | -53.6 | 0 | 0 | 0 | 109.3 | W416 V420 | W416-N418 PolarHBondContact O-N 3.12Å; W416-N418 VanDerWaalsContact O-N 3.07Å; N418-V420 PolarHBondContact O-N 3.45Å |
| 419 | S | 38.6 | Very low | 47.7 | Very low | 108 Ų | 108 | 144.9 Ų | 144.9 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 124.4 | 170.2 | 49.8 | 0 | 0 | 0 | 0 | 109.3 | L417 P421 | L417-S419 PolarHBondContact O-N 3Å; S419-P421 WeakPolarHBondContact O-CD 3.45Å |
| 420 | V | 37.3 | Very low | 49.1 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 125.5 | 172.5 | 176.3 | 0 | 0 | 0 | 0 | 108.1 | N418 T422 | N418-V420 PolarHBondContact O-N 3.45Å; V420-T422 VanDerWaalsContact C-N 3.32Å; V420-T422 PolarHBondContact O-N 2.8Å |
| 421 | P | 42.8 | Very low | 50.8 | Low | 117 Ų | 117 | 136.3 Ų | 136.3 | 76% | 0.76 | 73% | 0.727 | S | S | * | * | | | trans | -71.1 | 94.2 | 173.4 | 29 | -32.7 | 0 | 0 | 0 | 108.2 | S419 R423 | S419-P421 WeakPolarHBondContact O-CD 3.45Å; P421-R423 PolarHBondContact O-N 3.07Å; P421-R423 VanDerWaalsContact O-N 3.12Å |
| 422 | T | 41.3 | Very low | 52.9 | Low | 114 Ų | 114 | 137.3 Ų | 137.3 | 70% | 0.699 | 72% | 0.719 | S | S | * | * | | | trans | -52.8 | 120 | 162.7 | -53.3 | 0 | 0 | 0 | 0 | 106.8 | V420 E424 | V420-T422 VanDerWaalsContact C-N 3.32Å; V420-T422 PolarHBondContact O-N 2.8Å; T422-E424 PolarHBondContact O-N 2.75Å |
| 423 | R | 48.6 | Very low | 55 | Low | 237 Ų | 237 | 132.9 Ų | 132.9 | 89% | 0.894 | 70% | 0.704 | S | S | * | * | | | trans | -72.3 | 80.4 | 179 | -175 | -172.2 | 178 | -162.5 | -0 | 108.7 | P421 Q425 | P421-R423 PolarHBondContact O-N 3.07Å; P421-R423 VanDerWaalsContact O-N 3.12Å; R423-Q425 PolarHBondContact O-N 2.78Å; R423-Q425 VanDerWaalsContact O-N 3.08Å |
| 424 | E | 51.8 | Low | 56.7 | Low | 166 Ų | 166 | 132 Ų | 132 | 78% | 0.776 | 69% | 0.686 | S | S | * | * | | | trans | -56.9 | 114.5 | 170 | -70.1 | -175.6 | -177.1 | 0 | 0 | 108.1 | T422 E426 | T422-E424 PolarHBondContact O-N 2.75Å; E424-E426 VanDerWaalsContact C-N 3.32Å; E424-E426 PolarHBondContact O-N 2.75Å |
| 425 | Q | 58 | Low | 58.5 | Low | 176 Ų | 176 | 133.4 Ų | 133.4 | 82% | 0.822 | 67% | 0.674 | S | S | * | * | | | trans | -79.1 | 87.4 | 179.5 | -173 | 169.4 | -7 | 0 | 0 | 107 | R423 T427 | R423-Q425 PolarHBondContact O-N 2.78Å; R423-Q425 VanDerWaalsContact O-N 3.08Å; Q425-T427 PolarHBondContact O-N 2.85Å |
| 426 | E | 56.2 | Low | 60.2 | Low | 95 Ų | 95 | 129.7 Ų | 129.7 | 44% | 0.444 | 66% | 0.658 | S | S | . | * | | | trans | -44 | 112.2 | 179.4 | -80 | -164.8 | 152 | 0 | 0 | 109.7 | E424 Q431 K434 | E424-E426 VanDerWaalsContact C-N 3.32Å; E424-E426 PolarHBondContact O-N 2.75Å; E426-Q431 PolarHBondContact OE2-NE2 3.2Å; E426-K434 IonicContact OE1-NZ 4Å; E426-K434 PolarHBondContact OE1-NZ 3.15Å |
| 427 | T | 78.2 | Confident | 61.8 | Low | 87 Ų | 87 | 122.8 Ų | 122.8 | 53% | 0.534 | 64% | 0.641 | S | S | . | * | | | trans | -76.8 | 153.2 | 177.7 | 58.8 | 0 | 0 | 0 | 0 | 109.9 | Q425 A429 Y430 Q431 | Q425-T427 PolarHBondContact O-N 2.85Å; T427-A429 PolarHBondContact O-N 3.06Å; T427-A429 VanDerWaalsContact O-N 3.15Å; T427-Y430 WeakPolarHBondContact O-CA 3.5Å; T427-Y430 WeakPolarHBondContact O-CB 3.35Å; T427-Y430 PolarHBondContact O-N 3.3Å; T427-Q431 PolarHBondContact O-N 2.84Å; T427-Q431 VanDerWaalsContact O-N 3.17Å |
| 428 | E | 76.6 | Confident | 62.8 | Low | 166 Ų | 166 | 120.9 Ų | 120.9 | 78% | 0.776 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -57.4 | -32.2 | 178.4 | -61.4 | -176.6 | 161.6 | 0 | 0 | 111.9 | Y430 Q431 L432 | E428-Y430 VanDerWaalsContact C-N 3.35Å; E428-Y430 PolarHBondContact O-N 3.3Å; E428-Q431 PolarHBondContact O-N 2.85Å; E428-L432 WeakPolarHBondContact O-CB 3.35Å; E428-L432 WeakPolarHBondContact O-CG 3.35Å; E428-L432 PolarHBondContact O-N 3.16Å |
| 429 | A | 75.3 | Confident | 63.8 | Low | 68 Ų | 68 | 120.5 Ų | 120.5 | 56% | 0.562 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -60 | -39.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T427 L432 L433 | T427-A429 PolarHBondContact O-N 3.06Å; T427-A429 VanDerWaalsContact O-N 3.15Å; A429-L432 PolarHBondContact O-N 3.25Å; A429-L433 WeakPolarHBondContact O-CB 3.41Å; A429-L433 PolarHBondContact O-N 3.35Å |
| 430 | Y | 78.3 | Confident | 64.3 | Low | 139 Ų | 139 | 120.2 Ų | 120.2 | 55% | 0.545 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -71.6 | -37.6 | 177.4 | -155.8 | -107.5 | 0 | 0 | 0 | 111.5 | T427 E428 K434 | T427-Y430 WeakPolarHBondContact O-CA 3.5Å; T427-Y430 WeakPolarHBondContact O-CB 3.35Å; T427-Y430 PolarHBondContact O-N 3.3Å; E428-Y430 VanDerWaalsContact C-N 3.35Å; E428-Y430 PolarHBondContact O-N 3.3Å; Y430-K434 VanDerWaalsContact O-CB 3.3Å; Y430-K434 WeakPolarHBondContact O-CB 3.49Å; Y430-K434 PolarHBondContact O-N 3.11Å |
| 431 | Q | 83.1 | Confident | 65 | Low | 83 Ų | 83 | 119.4 Ų | 119.4 | 39% | 0.388 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -69.6 | -35.5 | 172.6 | -68.5 | -152.9 | 7.7 | 0 | 0 | 113.2 | E426 T427 E428 K434 K435 | E426-Q431 PolarHBondContact OE2-NE2 3.2Å; T427-Q431 PolarHBondContact O-N 2.84Å; T427-Q431 VanDerWaalsContact O-N 3.17Å; E428-Q431 PolarHBondContact O-N 2.85Å; Q431-K434 PolarHBondContact O-N 3.08Å; Q431-K435 WeakPolarHBondContact O-CB 3.42Å; Q431-K435 VanDerWaalsContact O-CG 3.26Å; Q431-K435 WeakPolarHBondContact O-CG 3.26Å; Q431-K435 PolarHBondContact O-N 3.42Å |
| 432 | L | 85.4 | Confident | 65.2 | Low | 114 Ų | 114 | 117.6 Ų | 117.6 | 60% | 0.597 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.5 | -45.5 | 172.8 | -81.1 | 163.9 | 0 | 0 | 0 | 111.3 | E428 A429 K434 K435 A436 | E428-L432 WeakPolarHBondContact O-CB 3.35Å; E428-L432 WeakPolarHBondContact O-CG 3.35Å; E428-L432 PolarHBondContact O-N 3.16Å; A429-L432 PolarHBondContact O-N 3.25Å; L432-K434 PolarHBondContact O-N 3.45Å; L432-K435 PolarHBondContact O-N 3.45Å; L432-A436 WeakPolarHBondContact O-CB 3.49Å; L432-A436 PolarHBondContact O-N 2.98Å |
| 433 | L | 85.1 | Confident | 65.5 | Low | 106 Ų | 106 | 117 Ų | 117 | 56% | 0.555 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -57.9 | -47.7 | 174.9 | -177.8 | 61.9 | 0 | 0 | 0 | 111.3 | A429 K435 A436 T437 | A429-L433 WeakPolarHBondContact O-CB 3.41Å; A429-L433 PolarHBondContact O-N 3.35Å; L433-K435 VanDerWaalsContact C-N 3.31Å; L433-K435 PolarHBondContact O-N 3.06Å; L433-A436 PolarHBondContact O-N 2.83Å; L433-T437 PolarHBondContact O-N 3.19Å; L433-T437 PolarHBondContact O-OG1 3.27Å; L433-T437 VanDerWaalsContact O-OG1 3.05Å |
| 434 | K | 79 | Confident | 65.4 | Low | 114 Ų | 114 | 113 Ų | 113 | 50% | 0.496 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.3 | -35.9 | 177.5 | -169.4 | 175.4 | -174.5 | 175.2 | 0 | 113.1 | E426 Y430 Q431 L432 T437 | E426-K434 IonicContact OE1-NZ 4Å; E426-K434 PolarHBondContact OE1-NZ 3.15Å; Y430-K434 VanDerWaalsContact O-CB 3.3Å; Y430-K434 WeakPolarHBondContact O-CB 3.49Å; Y430-K434 PolarHBondContact O-N 3.11Å; Q431-K434 PolarHBondContact O-N 3.08Å; L432-K434 PolarHBondContact O-N 3.45Å; K434-T437 WeakPolarHBondContact CA-OG1 3.42Å; K434-T437 PolarHBondContact O-OG1 3.22Å |
| 435 | K | 74.9 | Confident | 65 | Low | 127 Ų | 127 | 109 Ų | 109 | 55% | 0.552 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -71.8 | -45.7 | 174 | -73.2 | 167.5 | -176 | 174.7 | 0 | 111.8 | Q431 L432 L433 T437 L438 Q439 | Q431-K435 WeakPolarHBondContact O-CB 3.42Å; Q431-K435 VanDerWaalsContact O-CG 3.26Å; Q431-K435 WeakPolarHBondContact O-CG 3.26Å; Q431-K435 PolarHBondContact O-N 3.42Å; L432-K435 PolarHBondContact O-N 3.45Å; L433-K435 VanDerWaalsContact C-N 3.31Å; L433-K435 PolarHBondContact O-N 3.06Å; K435-T437 VanDerWaalsContact C-N 3.34Å; K435-T437 PolarHBondContact O-N 2.88Å; K435-L438 PolarHBondContact O-N 2.81Å; K435-Q439 PolarHBondContact O-N 3.06Å |
| 436 | A | 72.9 | Confident | 64.2 | Low | 54 Ų | 54 | 106 Ų | 106 | 45% | 0.446 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L432 L433 L438 Q439 D440 | L432-A436 WeakPolarHBondContact O-CB 3.49Å; L432-A436 PolarHBondContact O-N 2.98Å; L433-A436 PolarHBondContact O-N 2.83Å; A436-L438 PolarHBondContact O-N 3.36Å; A436-L438 VanDerWaalsContact O-N 3.16Å; A436-Q439 PolarHBondContact O-N 3.39Å; A436-Q439 VanDerWaalsContact O-N 3.15Å; A436-D440 PolarHBondContact O-N 3.08Å |
| 437 | T | 64 | Low | 63.5 | Low | 82 Ų | 82 | 109 Ų | 109 | 50% | 0.503 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.4 | -10.1 | 176.2 | 51.4 | 0 | 0 | 0 | 0 | 114.7 | L433 K434 K435 N441 | L433-T437 PolarHBondContact O-N 3.19Å; L433-T437 PolarHBondContact O-OG1 3.27Å; L433-T437 VanDerWaalsContact O-OG1 3.05Å; K434-T437 WeakPolarHBondContact CA-OG1 3.42Å; K434-T437 PolarHBondContact O-OG1 3.22Å; K435-T437 VanDerWaalsContact C-N 3.34Å; K435-T437 PolarHBondContact O-N 2.88Å; T437-N441 PolarHBondContact O-ND2 2.93Å |
| 438 | L | 57.8 | Low | 61.9 | Low | 120 Ų | 120 | 114.9 Ų | 114.9 | 63% | 0.628 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -90.5 | -38.3 | 169.6 | -83.6 | 163.9 | 0 | 0 | 0 | 111.7 | K435 A436 | K435-L438 PolarHBondContact O-N 2.81Å; A436-L438 PolarHBondContact O-N 3.36Å; A436-L438 VanDerWaalsContact O-N 3.16Å |
| 439 | Q | 54.8 | Low | 60.4 | Low | 134 Ų | 134 | 114.8 Ų | 114.8 | 63% | 0.626 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -71.4 | -35.2 | -175.1 | -167.4 | 170.4 | 4.3 | 0 | 0 | 113.4 | K435 A436 N441 T442 | K435-Q439 PolarHBondContact O-N 3.06Å; A436-Q439 PolarHBondContact O-N 3.39Å; A436-Q439 VanDerWaalsContact O-N 3.15Å; Q439-N441 VanDerWaalsContact C-N 3.27Å; Q439-N441 PolarHBondContact O-N 3.33Å; Q439-T442 PolarHBondContact O-N 3.12Å |
| 440 | D | 48.3 | Very low | 58.9 | Low | 101 Ų | 101 | 118.8 Ų | 118.8 | 54% | 0.54 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.7 | -27.9 | -179.4 | -159.5 | 37 | 0 | 0 | 0 | 112.9 | A436 | A436-D440 PolarHBondContact O-N 3.08Å |
| 441 | N | 52.6 | Low | 57.2 | Low | 107 Ų | 107 | 121.6 Ų | 121.6 | 57% | 0.572 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -73.2 | -28 | 177.9 | -65.1 | -41.4 | 0 | 0 | 0 | 113.4 | T437 Q439 T445 | T437-N441 PolarHBondContact O-ND2 2.93Å; Q439-N441 VanDerWaalsContact C-N 3.27Å; Q439-N441 PolarHBondContact O-N 3.33Å; N441-T445 PolarHBondContact O-OG1 3.25Å |
| 442 | T | 48 | Very low | 55.3 | Low | 79 Ų | 79 | 123.3 Ų | 123.3 | 49% | 0.485 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -70.4 | -46.3 | 178.9 | -56.3 | 0 | 0 | 0 | 0 | 110.8 | Q439 Q444 T445 E446 | Q439-T442 PolarHBondContact O-N 3.12Å; T442-Q444 VanDerWaalsContact C-N 3.27Å; T442-Q444 PolarHBondContact O-N 2.86Å; T442-T445 PolarHBondContact O-N 3.07Å; T442-T445 VanDerWaalsContact O-N 3.08Å; T442-T445 PolarHBondContact O-OG1 2.89Å; T442-E446 PolarHBondContact O-N 3.44Å |
| 443 | N | 47.3 | Very low | 53.1 | Low | 103 Ų | 103 | 125.7 Ų | 125.7 | 55% | 0.551 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.8 | -22.3 | -172.3 | -64.9 | -21.1 | 0 | 0 | 0 | 113.7 | | |
| 444 | Q | 45.9 | Very low | 50.9 | Low | 151 Ų | 151 | 125 Ų | 125 | 71% | 0.706 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -85.3 | -12.7 | 174.2 | -67 | -158.2 | 33.7 | 0 | 0 | 114.7 | T442 | T442-Q444 VanDerWaalsContact C-N 3.27Å; T442-Q444 PolarHBondContact O-N 2.86Å |
| 445 | T | 42.5 | Very low | 48.8 | Very low | 82 Ų | 82 | 125.6 Ų | 125.6 | 50% | 0.503 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -93.7 | -34.6 | 179 | 42.5 | 0 | 0 | 0 | 0 | 113.1 | N441 T442 R448 F449 | N441-T445 PolarHBondContact O-OG1 3.25Å; T442-T445 PolarHBondContact O-N 3.07Å; T442-T445 VanDerWaalsContact O-N 3.08Å; T442-T445 PolarHBondContact O-OG1 2.89Å; T445-R448 PolarHBondContact O-N 3.08Å; T445-F449 WeakPolarHBondContact O-CD2 3.35Å |
| 446 | E | 41.9 | Very low | 47.1 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 53% | 0.533 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -68.3 | -43 | -178.9 | -173.2 | 156.2 | -150.9 | 0 | 0 | 113.3 | T442 R448 F449 Q450 | T442-E446 PolarHBondContact O-N 3.44Å; E446-R448 PolarHBondContact O-N 2.89Å; E446-F449 PolarHBondContact O-N 2.87Å; E446-Q450 PolarHBondContact OE1-NE2 3.23Å; E446-Q450 VanDerWaalsContact OE1-NE2 3.08Å |
| 447 | N | 41.9 | Very low | 45.3 | Very low | 158 Ų | 158 | 128.2 Ų | 128.2 | 85% | 0.845 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 16.8 | 178.4 | -159.9 | 6.4 | 0 | 0 | 0 | 114.2 | | |
| 448 | R | 43.7 | Very low | 43.9 | Very low | 210 Ų | 210 | 132.5 Ų | 132.5 | 79% | 0.792 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.7 | -12.4 | 172.1 | -156.4 | 170.1 | -171.3 | 170.7 | 4.4 | 114 | T445 E446 | T445-R448 PolarHBondContact O-N 3.08Å; E446-R448 PolarHBondContact O-N 2.89Å |
| 449 | F | 45.5 | Very low | 42.9 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 72% | 0.719 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.5 | -6.5 | -174.2 | -66.8 | -68.6 | 0 | 0 | 0 | 115.2 | T445 E446 K451 | T445-F449 WeakPolarHBondContact O-CD2 3.35Å; E446-F449 PolarHBondContact O-N 2.87Å; F449-K451 PolarHBondContact O-N 3.35Å |
| 450 | Q | 45.1 | Very low | 42 | Very low | 152 Ų | 152 | 134.6 Ų | 134.6 | 71% | 0.71 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -93.6 | 44.8 | 175.4 | -59.4 | -168.9 | 13.1 | 0 | 0 | 113.8 | E446 | E446-Q450 PolarHBondContact OE1-NE2 3.23Å; E446-Q450 VanDerWaalsContact OE1-NE2 3.08Å |
| 451 | K | 41.6 | Very low | 41.4 | Very low | 199 Ų | 199 | 133 Ų | 133 | 87% | 0.865 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -138.3 | 28.6 | 172.3 | -151.3 | 171.2 | 179.2 | 170.2 | 0 | 115.8 | F449 | F449-K451 PolarHBondContact O-N 3.35Š|
| 452 | T | 44 | Very low | 40.6 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -147.6 | 89.3 | 160.4 | 44.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 453 | D | 38.9 | Very low | 40.1 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 179 | 165.9 | 132.4 | -91.3 | -24.3 | 0 | 0 | 0 | 112.1 | | |
| 454 | A | 38.5 | Very low | 39.7 | Very low | 90 Ų | 90 | 143.8 Ų | 143.8 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | | | trans | 53.1 | 79.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 455 | S | 34.1 | Very low | 39 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | | | trans | -150.4 | 59.7 | 147.1 | -80.5 | 0 | 0 | 0 | 0 | 111.2 | S457 | S455-S457 PolarHBondContact O-N 3.29Š|
| 456 | V | 39.9 | Very low | 38.6 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 74% | 0.739 | 81% | 0.805 | S | S | * | * | | | trans | -82.8 | 100.2 | 167.7 | 178.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 457 | S | 35 | Very low | 38.2 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -129.2 | 120.4 | 163.5 | -78.7 | 0 | 0 | 0 | 0 | 108.2 | S455 L459 | S455-S457 PolarHBondContact O-N 3.29Å; S457-L459 PolarHBondContact O-N 2.57Å |
| 458 | H | 35.2 | Very low | 38 | Very low | 171 Ų | 171 | 136.7 Ų | 136.7 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | | | trans | -76.5 | 121.2 | -167.8 | -66.7 | -102.2 | 0 | 0 | 0 | 111.8 | | |
| 459 | L | 36.1 | Very low | 37.5 | Very low | 176 Ų | 176 | 135.8 Ų | 135.8 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | | | trans | -123.9 | 119 | 154.6 | -158.6 | 69.8 | 0 | 0 | 0 | 108.8 | S457 | S457-L459 PolarHBondContact O-N 2.57Š|
| 460 | S | 36.1 | Very low | 37.1 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | | | trans | -72.2 | 142.9 | -169.2 | -56.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 461 | G | 35.6 | Very low | 36.5 | Very low | 68 Ų | 68 | 136.8 Ų | 136.8 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | | | trans | 145.3 | 45.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 462 | L | 35.4 | Very low | 36.3 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | | | trans | -160.5 | 151.5 | 133.4 | -130.5 | 64.4 | 0 | 0 | 0 | 111.8 | | |
| 463 | N | 38.3 | Very low | 35.6 | Very low | 162 Ų | 162 | 136.3 Ų | 136.3 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | | | trans | -82.9 | 143.1 | -167.1 | -70.1 | -53.1 | 0 | 0 | 0 | 113.8 | | |
| 464 | I | 39.3 | Very low | 35.5 | Very low | 177 Ų | 177 | 133.4 Ų | 133.4 | 91% | 0.908 | 82% | 0.818 | S | S | * | * | | | trans | -69.6 | 127.8 | 163.1 | -64.3 | 170.8 | 0 | 0 | 0 | 108.5 | | |
| 465 | G | 31.3 | Very low | 35.3 | Very low | 76 Ų | 76 | 135.8 Ų | 135.8 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | | | trans | -134.4 | 100.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 466 | S | 33.4 | Very low | 35.4 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | | | trans | -81.8 | 145.3 | 172.1 | -176.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 467 | G | 32.4 | Very low | 35.5 | Very low | 50 Ų | 50 | 140.3 Ų | 140.3 | 52% | 0.515 | 82% | 0.818 | S | S | . | * | | | trans | 129.3 | 110.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 468 | A | 39.5 | Very low | 35.4 | Very low | 99 Ų | 99 | 138.6 Ų | 138.6 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | -85.7 | 120.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 469 | F | 33.1 | Very low | 35.3 | Very low | 192 Ų | 192 | 135.4 Ų | 135.4 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | | | trans | -141.1 | 157.5 | 173 | -58 | -72.2 | 0 | 0 | 0 | 111 | | |
| 470 | E | 35.5 | Very low | 35.1 | Very low | 195 Ų | 195 | 135.8 Ų | 135.8 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | | | trans | -86.1 | 162.8 | -155.3 | -57.3 | 174.7 | 133.9 | 0 | 0 | 115.4 | K472 | E470-K472 PolarHBondContact O-N 2.99Å; E470-K472 VanDerWaalsContact O-N 3.12Å |
| 471 | T | 34 | Very low | 35 | Very low | 142 Ų | 142 | 134 Ų | 134 | 87% | 0.871 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -74.3 | 100.1 | 177.2 | 49.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 472 | K | 36.4 | Very low | 34.9 | Very low | 194 Ų | 194 | 135.4 Ų | 135.4 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | trans | 37.6 | 96.3 | 151.8 | -71 | -175.9 | 175.7 | 178.1 | 0 | 117.9 | E470 | E470-K472 PolarHBondContact O-N 2.99Å; E470-K472 VanDerWaalsContact O-N 3.12Å |
| 473 | T | 29.1 | Very low | 34.8 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 69% | 0.693 | 80% | 0.795 | S | S | * | * | | | | 49.7 | 91.3 | 118.5 | -44.6 | 0 | 0 | 0 | 0 | 117.7 | | |
| 474 | A | 36.8 | Very low | 34.5 | Very low | 103 Ų | 103 | 135 Ų | 135 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | | | | -74.6 | 148.7 | 128.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 475 | N | 35.7 | Very low | 34.4 | Very low | 141 Ų | 141 | 131.9 Ų | 131.9 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | | | trans | -87 | 149.1 | -169.4 | -72.9 | -65.8 | 0 | 0 | 0 | 113.9 | | |
| 476 | K | 34.4 | Very low | 34.7 | Very low | 197 Ų | 197 | 133.4 Ų | 133.4 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | | | trans | 72.1 | 131.5 | 153.9 | -122.3 | -172.5 | 179.3 | -175 | 0 | 113.8 | | |
| 477 | I | 42.6 | Very low | 34.7 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | | | cis | -155.3 | 147.3 | 40.9 | -77.7 | 162.3 | 0 | 0 | 0 | 110.9 | | |
| 478 | A | 32.7 | Very low | 34.7 | Very low | 79 Ų | 79 | 137.3 Ų | 137.3 | 65% | 0.653 | 80% | 0.798 | S | S | * | * | | | trans | 17.7 | 125 | 154.2 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 479 | S | 32.7 | Very low | 34.6 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | | 82.7 | 140.6 | 120.3 | -65.3 | 0 | 0 | 0 | 0 | 123.9 | | |
| 480 | E | 31.7 | Very low | 35.1 | Very low | 185 Ų | 185 | 135.1 Ų | 135.1 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | trans | 76.9 | 103.2 | 144 | -73.7 | 167.1 | 147.2 | 0 | 0 | 121.7 | | |
| 481 | A | 35.1 | Very low | 35.1 | Very low | 86 Ų | 86 | 134.2 Ų | 134.2 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | | | | 63.3 | 99 | 121.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 482 | S | 34.3 | Very low | 35.6 | Very low | 97 Ų | 97 | 133.2 Ų | 133.2 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | | | | 59.8 | 133.6 | 113.7 | -50 | 0 | 0 | 0 | 0 | 122.4 | | |
| 483 | F | 32.6 | Very low | 35.7 | Very low | 204 Ų | 204 | 133.3 Ų | 133.3 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | | | trans | 85.8 | 141.1 | 152.2 | -60.1 | -62.5 | 0 | 0 | 0 | 121.6 | | |
| 484 | S | 32 | Very low | 35.9 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | 89.4 | 140.7 | 146.6 | -148.3 | 0 | 0 | 0 | 0 | 119.8 | | |
| 485 | S | 38.1 | Very low | 35.9 | Very low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | | | trans | -96.3 | 141.3 | -179.2 | 165.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 486 | S | 36.8 | Very low | 35.8 | Very low | 107 Ų | 107 | 137 Ų | 137 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | -145.5 | 119.1 | 146.7 | 47.5 | 0 | 0 | 0 | 0 | 106.5 | | |
| 487 | E | 33.2 | Very low | 36.1 | Very low | 191 Ų | 191 | 137.5 Ų | 137.5 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | | | | 79.6 | 125.2 | 74.6 | -171 | 175.8 | -163.1 | 0 | 0 | 112.6 | | |
| 488 | G | 33.3 | Very low | 35.9 | Very low | 72 Ų | 72 | 140 Ų | 140 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | trans | 111.7 | 97.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 489 | S | 36.2 | Very low | 36.3 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | | | trans | -76.3 | 150.7 | 150.3 | -58.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 490 | P | 44.7 | Very low | 37 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | | | | -150.3 | 166.1 | 92.9 | 39.1 | -22.4 | 0 | 0 | 0 | 117.1 | | |
| 491 | L | 34.8 | Very low | 37 | Very low | 176 Ų | 176 | 142.8 Ų | 142.8 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | | | trans | -24.6 | 136.3 | 158.1 | -64.2 | 154 | 0 | 0 | 0 | 116.1 | | |
| 492 | S | 44 | Very low | 37.3 | Very low | 122 Ų | 122 | 146.8 Ų | 146.8 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | trans | -124.8 | 125 | 157.5 | 62.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 493 | R | 38.6 | Very low | 37.2 | Very low | 196 Ų | 196 | 149.2 Ų | 149.2 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | | | trans | -77.3 | 146.3 | 164.3 | -79.3 | 176.7 | 160.3 | -164.2 | -9.8 | 108.8 | E495 | R493-E495 IonicContact CZ-OE1 3.66Å; R493-E495 IonicContact CZ-OE2 3.61Å; R493-E495 IonicContact NE-OE2 3.49Å; R493-E495 IonicContact NH1-OE1 2.7Å; R493-E495 PolarHBondContact NH1-OE1 2.96Å; R493-E495 IonicContact NH1-OE2 2.76Å; R493-E495 PolarHBondContact NH1-OE2 3.15Å |
| 494 | H | 33.5 | Very low | 37.6 | Very low | 188 Ų | 188 | 148.1 Ų | 148.1 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | | | trans | -102 | 98.7 | 144.9 | -166.6 | -24 | 0 | 0 | 0 | 109.4 | | |
| 495 | E | 37 | Very low | 37.6 | Very low | 105 Ų | 105 | 151.2 Ų | 151.2 | 49% | 0.491 | 81% | 0.808 | S | S | . | * | | | trans | -88.1 | 148.1 | 164.2 | -99.5 | 172.7 | 143.1 | 0 | 0 | 111.4 | R493 K497 | R493-E495 IonicContact CZ-OE1 3.66Å; R493-E495 IonicContact CZ-OE2 3.61Å; R493-E495 IonicContact NE-OE2 3.49Å; R493-E495 IonicContact NH1-OE1 2.7Å; R493-E495 PolarHBondContact NH1-OE1 2.96Å; R493-E495 IonicContact NH1-OE2 2.76Å; R493-E495 PolarHBondContact NH1-OE2 3.15Å; E495-K497 PolarHBondContact O-N 3.26Å |
| 496 | N | 32.6 | Very low | 37.4 | Very low | 142 Ų | 142 | 149.8 Ų | 149.8 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | | | trans | -64.1 | 116.2 | 168.5 | 45.9 | -2.3 | 0 | 0 | 0 | 111.9 | K498 | N496-K498 PolarHBondContact O-N 3.41Å; N496-K498 VanDerWaalsContact O-N 3.17Å |
| 497 | K | 41.7 | Very low | 37.1 | Very low | 206 Ų | 206 | 152.6 Ų | 152.6 | 90% | 0.896 | 81% | 0.805 | S | S | * | * | | | trans | -83.7 | 96.8 | 176.4 | -73.2 | -173.4 | 179 | 177 | 0 | 112.1 | E495 | E495-K497 PolarHBondContact O-N 3.26Š|
| 498 | K | 37.8 | Very low | 37.2 | Very low | 200 Ų | 200 | 147 Ų | 147 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | | | trans | 20.3 | 134 | 151.4 | -62.3 | -178.8 | 179.9 | 178.6 | 0 | 120 | N496 | N496-K498 PolarHBondContact O-N 3.41Å; N496-K498 VanDerWaalsContact O-N 3.17Å |
| 499 | K | 41.1 | Very low | 37.2 | Very low | 187 Ų | 187 | 150.5 Ų | 150.5 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | trans | -56.7 | 168.1 | 160.8 | -51 | 178.3 | -177.8 | -179.1 | 0 | 112.2 | | |
| 500 | P | 47.5 | Very low | 37.1 | Very low | 129 Ų | 129 | 153.5 Ų | 153.5 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | | | | -116.7 | 167.2 | 118 | 34.7 | -34.3 | 0 | 0 | 0 | 113.2 | | |
| 501 | V | 32.8 | Very low | 36.8 | Very low | 110 Ų | 110 | 152.6 Ų | 152.6 | 67% | 0.667 | 78% | 0.775 | S | S | * | * | | | trans | -96.8 | 138.6 | -176.2 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 502 | I | 40 | Very low | 36.8 | Very low | 169 Ų | 169 | 150.3 Ų | 150.3 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | | | trans | -129.9 | 134.5 | 152.6 | 47.5 | 174 | 0 | 0 | 0 | 109.3 | | |
| 503 | N | 32.8 | Very low | 36.5 | Very low | 148 Ų | 148 | 154.7 Ų | 154.7 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | | | trans | -86.5 | 127 | 177.8 | -75.3 | -71.6 | 0 | 0 | 0 | 110.2 | | |
| 504 | L | 41.3 | Very low | 36.6 | Very low | 182 Ų | 182 | 150.8 Ų | 150.8 | 95% | 0.953 | 76% | 0.76 | S | S | * | * | | | trans | -136.8 | 163 | 150.4 | -80.3 | -176.3 | 0 | 0 | 0 | 109.8 | | |
| 505 | K | 31.7 | Very low | 36.8 | Very low | 190 Ų | 190 | 148.6 Ų | 148.6 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | | | trans | -136.6 | 135.9 | -143 | 172.9 | -175.9 | 165.4 | -175.8 | 0 | 112.7 | | |
| 506 | S | 34.4 | Very low | 36.9 | Very low | 81 Ų | 81 | 149.6 Ų | 149.6 | 57% | 0.566 | 76% | 0.763 | S | S | * | * | | | trans | 58.8 | 125.6 | 155.8 | 68.7 | 0 | 0 | 0 | 0 | 121.2 | | |
| 507 | N | 31 | Very low | 37.2 | Very low | 167 Ų | 167 | 152.7 Ų | 152.7 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | | | trans | 70.1 | 146.5 | 133 | -54.6 | 7.3 | 0 | 0 | 0 | 119.9 | | |
| 508 | G | 34.5 | Very low | 37.3 | Very low | 72 Ų | 72 | 149.2 Ų | 149.2 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | | | trans | 117.6 | 85.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 509 | E | 33.3 | Very low | 37.5 | Very low | 147 Ų | 147 | 149.6 Ų | 149.6 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | | | | 77.3 | 107.5 | 50.3 | -160.9 | -163.9 | 163.4 | 0 | 0 | 113.5 | | |
| 510 | R | 34.9 | Very low | 37.8 | Very low | 186 Ų | 186 | 147.3 Ų | 147.3 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | | | trans | 64.1 | 162.3 | 165.1 | -75.3 | -179.3 | -61.6 | 105.1 | -0.5 | 115.3 | | |
| 511 | D | 37.4 | Very low | 37.9 | Very low | 101 Ų | 101 | 154.5 Ų | 154.5 | 54% | 0.54 | 78% | 0.777 | S | S | . | * | | | cis | -146.4 | 172.4 | -0.1 | -133.9 | -44.7 | 0 | 0 | 0 | 112.9 | | |
| 512 | N | 35.3 | Very low | 38.1 | Very low | 128 Ų | 128 | 156.7 Ų | 156.7 | 68% | 0.684 | 78% | 0.782 | S | S | * | * | | | trans | -55.9 | 144 | 172.7 | -59.7 | -94.8 | 0 | 0 | 0 | 114.7 | | |
| 513 | R | 37.9 | Very low | 38 | Very low | 215 Ų | 215 | 156.1 Ų | 156.1 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | | | | -179.7 | 153.7 | 118.1 | -109.5 | 161.8 | -85.3 | -143.1 | -5.4 | 117.9 | | |
| 514 | T | 39.4 | Very low | 38.3 | Very low | 113 Ų | 113 | 156.5 Ų | 156.5 | 69% | 0.693 | 78% | 0.777 | S | S | * | * | | | trans | 57.6 | 108.5 | 147.7 | -50.7 | 0 | 0 | 0 | 0 | 117.5 | | |
| 515 | L | 38.7 | Very low | 38.1 | Very low | 143 Ų | 143 | 155 Ų | 155 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | | | | 79.6 | 136.7 | 59.9 | -73.4 | 173.5 | 0 | 0 | 0 | 115.9 | | |
| 516 | D | 39.5 | Very low | 38.5 | Very low | 126 Ų | 126 | 152.8 Ų | 152.8 | 67% | 0.674 | 76% | 0.763 | S | S | * | * | | | trans | 58.1 | 95.4 | 150.5 | -51.6 | -24.7 | 0 | 0 | 0 | 121.3 | | |
| 517 | F | 38.7 | Very low | 38.8 | Very low | 207 Ų | 207 | 157.6 Ų | 157.6 | 91% | 0.908 | 78% | 0.776 | S | S | * | * | | | trans | -167.3 | 144.8 | 139.9 | -86.4 | -57.8 | 0 | 0 | 0 | 106.8 | | |
| 518 | L | 42.4 | Very low | 39.4 | Very low | 132 Ų | 132 | 156.9 Ų | 156.9 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | | | cis | -155.8 | 140.6 | -1.6 | 177.7 | 75.8 | 0 | 0 | 0 | 106.2 | L520 | L518-L520 HydrophobicContact CD2-CD1 4.02Š|
| 519 | F | 41.9 | Very low | 39.7 | Very low | 208 Ų | 208 | 163.5 Ų | 163.5 | 91% | 0.912 | 77% | 0.77 | S | S | * | * | | | trans | -101.5 | 139.6 | 165.1 | -131.5 | -84.7 | 0 | 0 | 0 | 109.9 | | |
| 520 | L | 49.1 | Very low | 40.3 | Very low | 140 Ų | 140 | 164.8 Ų | 164.8 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | | | trans | -86.8 | 162.5 | -172.2 | -112.3 | 69 | 0 | 0 | 0 | 112.9 | L518 | L518-L520 HydrophobicContact CD2-CD1 4.02Š|
| 521 | F | 48 | Very low | 40.8 | Very low | 279 Ų | 279 | 162.9 Ų | 162.9 | 100% | 1.224 | 78% | 0.784 | S | S | * | * | | | trans | -69 | 0 | 156.3 | -104.2 | -91.4 | 0 | 0 | 0 | 110.8 | | |