| 1 | M | 33.8 | Very low | 36.2 | Very low | 241 Ų | 241 | 156.2 Ų | 156.2 | 100% | 1.187 | 81% | 0.806 | S | S | * | * | | | | 0 | 92.7 | 0 | -147.6 | 82.3 | 163.3 | 0 | 0 | 107.8 | | |
| 2 | T | 26.5 | Very low | 36.2 | Very low | 147 Ų | 147 | 153.9 Ų | 153.9 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | | | trans | -83.7 | 132.8 | -167.4 | 38.8 | 0 | 0 | 0 | 0 | 112 | | |
| 3 | R | 39.5 | Very low | 36.9 | Very low | 216 Ų | 216 | 147.8 Ų | 147.8 | 82% | 0.815 | 81% | 0.806 | S | S | * | * | | | trans | -89 | 133.6 | 174.6 | -63.8 | 174 | 177.9 | -123.1 | -0.7 | 109.3 | | |
| 4 | F | 34.8 | Very low | 36.7 | Very low | 189 Ų | 189 | 151.6 Ų | 151.6 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | | | trans | -143.3 | 107.7 | 157.6 | -110 | -88.3 | 0 | 0 | 0 | 109.5 | | |
| 5 | F | 32.1 | Very low | 36.9 | Very low | 164 Ų | 164 | 149.4 Ų | 149.4 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | | | trans | -85.5 | 105.8 | 161.7 | -78.8 | -93.5 | 0 | 0 | 0 | 106.9 | | |
| 6 | C | 35.5 | Very low | 37.7 | Very low | 111 Ų | 111 | 146.1 Ų | 146.1 | 75% | 0.75 | 79% | 0.794 | S | S | * | * | | | trans | -89.1 | 109.3 | 161.8 | -72.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 7 | C | 37.3 | Very low | 37.8 | Very low | 130 Ų | 130 | 149.7 Ų | 149.7 | 88% | 0.878 | 80% | 0.795 | S | S | * | * | | | trans | -54.1 | 140.3 | 178.1 | -172.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 8 | G | 40.4 | Very low | 37.8 | Very low | 64 Ų | 64 | 144.5 Ų | 144.5 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | | | trans | 102.8 | 57.1 | 146.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 9 | S | 40.1 | Very low | 37.6 | Very low | 87 Ų | 87 | 143.3 Ų | 143.3 | 61% | 0.608 | 78% | 0.781 | S | S | * | * | | | trans | -133.4 | 95.5 | 148.8 | -57.5 | 0 | 0 | 0 | 0 | 108.6 | F11 | S9-F11 PolarHBondContact O-N 3.48Š|
| 10 | Y | 41.9 | Very low | 37.9 | Very low | 222 Ų | 222 | 143.6 Ų | 143.6 | 87% | 0.871 | 78% | 0.782 | S | S | * | * | | | trans | -67.3 | 74.5 | 164.5 | -170.8 | -98.8 | 0 | 0 | 0 | 107.5 | | |
| 11 | F | 36.5 | Very low | 37.8 | Very low | 147 Ų | 147 | 146 Ų | 146 | 65% | 0.645 | 79% | 0.785 | S | S | * | * | | | trans | -79.2 | 132.5 | 162.5 | -76.2 | -79.8 | 0 | 0 | 0 | 107.1 | S9 G13 Y14 | S9-F11 PolarHBondContact O-N 3.48Å; F11-G13 VanDerWaalsContact C-N 3.34Å; F11-G13 PolarHBondContact O-N 2.89Å; F11-Y14 PolarHBondContact O-N 3.02Å |
| 12 | P | 36.2 | Very low | 38.2 | Very low | 129 Ų | 129 | 143.5 Ų | 143.5 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 97.1 | 175.4 | 28.3 | -30.5 | 0 | 0 | 0 | 107.9 | | |
| 13 | G | 45.6 | Very low | 39 | Very low | 75 Ų | 75 | 147.3 Ų | 147.3 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 149.1 | -8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | F11 | F11-G13 VanDerWaalsContact C-N 3.34Å; F11-G13 PolarHBondContact O-N 2.89Å |
| 14 | Y | 34.1 | Very low | 39.1 | Very low | 201 Ų | 201 | 142.9 Ų | 142.9 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -115.4 | 129.7 | 176.4 | -117.7 | -101.3 | 0 | 0 | 0 | 112 | F11 S16 | F11-Y14 PolarHBondContact O-N 3.02Å; Y14-S16 PolarHBondContact O-N 2.85Å |
| 15 | P | 38.7 | Very low | 39.4 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | trans | -67.8 | 134.8 | -175.6 | 27.6 | -32 | 0 | 0 | 0 | 110.6 | | |
| 16 | S | 49.8 | Very low | 39.8 | Very low | 97 Ų | 97 | 146.4 Ų | 146.4 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | | | trans | -63.6 | 132.4 | -179.6 | -45.5 | 0 | 0 | 0 | 0 | 111.8 | Y14 | Y14-S16 PolarHBondContact O-N 2.85Š|
| 17 | Y | 39.5 | Very low | 40 | Very low | 207 Ų | 207 | 145 Ų | 145 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | | | trans | -132.1 | 99.5 | 153.3 | -115.2 | -95.6 | 0 | 0 | 0 | 104.3 | | |
| 18 | G | 37.8 | Very low | 39.9 | Very low | 56 Ų | 56 | 142.5 Ų | 142.5 | 58% | 0.577 | 75% | 0.752 | S | S | * | * | | | | 58.6 | 103 | 75.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 19 | T | 34.3 | Very low | 39.9 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | | | | -174.6 | 140.8 | 62.3 | -99.4 | 0 | 0 | 0 | 0 | 111 | F21 | T19-F21 HydrophobicContact CG2-CD2 4.37Š|
| 20 | N | 43.8 | Very low | 39.9 | Very low | 150 Ų | 150 | 148 Ų | 148 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | | | trans | -41.2 | 132.9 | 161.8 | -57.4 | -85.9 | 0 | 0 | 0 | 112.8 | | |
| 21 | F | 35.1 | Very low | 39.9 | Very low | 193 Ų | 193 | 144.5 Ų | 144.5 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | | | trans | -146.1 | 125.6 | 139 | -110.4 | -84.3 | 0 | 0 | 0 | 109 | T19 R23 | T19-F21 HydrophobicContact CG2-CD2 4.37Å; F21-R23 PolarHBondContact O-N 3.45Å |
| 22 | H | 43.8 | Very low | 40.2 | Very low | 189 Ų | 189 | 143 Ų | 143 | 88% | 0.875 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -39.8 | 129.5 | 154.9 | -92.5 | 124.6 | 0 | 0 | 0 | 108.7 | | |
| 23 | R | 43.2 | Very low | 40.3 | Very low | 227 Ų | 227 | 143 Ų | 143 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 86.2 | 108.2 | 174.2 | -136.7 | 172.9 | -170.2 | 177.2 | 1.5 | 114.5 | F21 | F21-R23 PolarHBondContact O-N 3.45Š|
| 24 | T | 40.5 | Very low | 40.1 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | | | trans | 60.6 | 104.6 | 155.5 | 46.4 | 0 | 0 | 0 | 0 | 118.3 | | |
| 25 | F | 41.5 | Very low | 40.3 | Very low | 206 Ų | 206 | 141.2 Ų | 141.2 | 90% | 0.904 | 76% | 0.762 | S | S | * | * | | | trans | -148.3 | 102.2 | 133.1 | -114.8 | -84.6 | 0 | 0 | 0 | 109.6 | A27 | F25-A27 PolarHBondContact O-N 3.3Å; F25-A27 VanDerWaalsContact O-N 3.08Å |
| 26 | R | 39.7 | Very low | 40.5 | Very low | 220 Ų | 220 | 143.8 Ų | 143.8 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | | | trans | -67.2 | 99.7 | 165.6 | -78.5 | 173.3 | 121.8 | -134.7 | 3.6 | 106.9 | T28 | R26-T28 PolarHBondContact O-N 2.83Š|
| 27 | A | 39.4 | Very low | 39.9 | Very low | 83 Ų | 83 | 142.7 Ų | 142.7 | 69% | 0.686 | 77% | 0.773 | S | S | * | * | | | trans | -78 | 74 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | F25 P29 | F25-A27 PolarHBondContact O-N 3.3Å; F25-A27 VanDerWaalsContact O-N 3.08Å; A27-P29 WeakPolarHBondContact O-CD 3.39Å |
| 28 | T | 36.3 | Very low | 40 | Very low | 77 Ų | 77 | 137.6 Ų | 137.6 | 47% | 0.472 | 77% | 0.767 | S | S | . | * | | | trans | -57 | 121.9 | 159.2 | 45 | 0 | 0 | 0 | 0 | 106.1 | R26 L30 | R26-T28 PolarHBondContact O-N 2.83Å; T28-L30 PolarHBondContact O-N 3.43Å |
| 29 | P | 40 | Very low | 40 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | | | trans | -76.9 | 58.2 | 176.2 | 33.9 | -33.8 | 0 | 0 | 0 | 108.4 | A27 N31 | A27-P29 WeakPolarHBondContact O-CD 3.39Å; P29-N31 VanDerWaalsContact C-N 3.3Å |
| 30 | L | 40.8 | Very low | 40.3 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | | | trans | -104 | 42.4 | -179.7 | -122.1 | 150.1 | 0 | 0 | 0 | 108.4 | T28 | T28-L30 PolarHBondContact O-N 3.43Š|
| 31 | N | 40.5 | Very low | 39.9 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | | | trans | -172.9 | 59.6 | 163.7 | -116 | -80.5 | 0 | 0 | 0 | 110.9 | P29 | P29-N31 VanDerWaalsContact C-N 3.3Š|
| 32 | C | 43.1 | Very low | 40.2 | Very low | 115 Ų | 115 | 143 Ų | 143 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | | | trans | -81.8 | 111 | 149.1 | -86.9 | 0 | 0 | 0 | 0 | 106.4 | V34 | C32-V34 PolarHBondContact O-N 2.83Š|
| 33 | V | 38.8 | Very low | 40.1 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | | | trans | -30.6 | 116.7 | 174.5 | 177.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 34 | V | 40.7 | Very low | 39.9 | Very low | 127 Ų | 127 | 136.1 Ų | 136.1 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | | | trans | -76.2 | 122.1 | 167.5 | 175.6 | 0 | 0 | 0 | 0 | 107.8 | C32 | C32-V34 PolarHBondContact O-N 2.83Š|
| 35 | P | 38.5 | Very low | 39.6 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | -73.1 | 131.7 | 171.2 | 16.2 | -8.7 | 0 | 0 | 0 | 109.8 | G37 | P35-G37 PolarHBondContact O-N 3.08Š|
| 36 | L | 43.8 | Very low | 39.4 | Very low | 171 Ų | 171 | 129.2 Ų | 129.2 | 90% | 0.895 | 75% | 0.753 | S | S | * | * | | | trans | -54.4 | 110.2 | 175.4 | -86 | 93.5 | 0 | 0 | 0 | 111.1 | | |
| 37 | G | 37.5 | Very low | 39.2 | Very low | 74 Ų | 74 | 126.2 Ų | 126.2 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | | | trans | -149.7 | 72.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | P35 | P35-G37 PolarHBondContact O-N 3.08Š|
| 38 | S | 41.1 | Very low | 39.2 | Very low | 101 Ų | 101 | 125 Ų | 125 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | | | trans | -82.7 | 144.2 | -176.7 | -51.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 39 | P | 37.9 | Very low | 39.3 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | | | | -140.2 | 138 | 79.3 | 33.9 | -16.5 | 0 | 0 | 0 | 114.4 | | |
| 40 | L | 39.5 | Very low | 39 | Very low | 160 Ų | 160 | 132 Ų | 132 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | | | trans | 51.3 | 88.4 | 149 | -60.3 | 169.1 | 0 | 0 | 0 | 118.2 | | |
| 41 | N | 36.8 | Very low | 39.1 | Very low | 126 Ų | 126 | 130 Ų | 130 | 67% | 0.674 | 77% | 0.767 | S | S | * | * | | | | -135.1 | 76.5 | 128.1 | -157 | -86 | 0 | 0 | 0 | 109.1 | G43 Y44 | N41-G43 PolarHBondContact O-N 3.02Å; N41-Y44 PolarHBondContact OD1-N 2.8Å |
| 42 | Y | 40.5 | Very low | 38.9 | Very low | 232 Ų | 232 | 130.5 Ų | 130.5 | 91% | 0.91 | 77% | 0.769 | S | S | * | * | | | trans | -67.5 | 107.4 | 154.3 | -173.7 | -92 | 0 | 0 | 0 | 106.2 | | |
| 43 | G | 42.8 | Very low | 39.1 | Very low | 54 Ų | 54 | 128.4 Ų | 128.4 | 56% | 0.557 | 77% | 0.768 | S | S | * | * | | | trans | 96.2 | 73.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | N41 | N41-G43 PolarHBondContact O-N 3.02Š|
| 44 | Y | 37.8 | Very low | 38.9 | Very low | 217 Ų | 217 | 131.6 Ų | 131.6 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | | | trans | -148.9 | 84.3 | 135.6 | -111.1 | -86.6 | 0 | 0 | 0 | 105.5 | N41 | N41-Y44 PolarHBondContact OD1-N 2.8Š|
| 45 | G | 34.6 | Very low | 39.4 | Very low | 65 Ų | 65 | 131.5 Ų | 131.5 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | | | | 97.1 | 72.6 | 57.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 46 | C | 37.3 | Very low | 39.4 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | | | trans | -150.2 | 55 | 149.3 | -162.2 | 0 | 0 | 0 | 0 | 107.2 | | |
| 47 | N | 36 | Very low | 39 | Very low | 157 Ų | 157 | 130.1 Ų | 130.1 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | | | | -21.6 | 112.1 | 99.9 | -77.6 | -31.8 | 0 | 0 | 0 | 114.1 | | |
| 48 | G | 38.2 | Very low | 38.8 | Very low | 57 Ų | 57 | 130 Ų | 130 | 59% | 0.588 | 77% | 0.766 | S | S | * | * | S | Bend | | 53 | 113.5 | 128.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 49 | Y | 39.3 | Very low | 38.6 | Very low | 234 Ų | 234 | 130.3 Ų | 130.3 | 92% | 0.918 | 77% | 0.768 | S | S | * | * | | | trans | 53.6 | 78.6 | 149.8 | -90.7 | -93.9 | 0 | 0 | 0 | 115.4 | | |
| 50 | S | 32.8 | Very low | 38.5 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | -127.7 | 95.3 | 150.7 | -73.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 51 | S | 44 | Very low | 38.6 | Very low | 98 Ų | 98 | 134 Ų | 134 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | | | trans | -40.1 | 150.5 | 144.5 | 51.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 52 | L | 36.9 | Very low | 38.7 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 78.9 | 107.3 | 171.4 | -53.8 | 158.1 | 0 | 0 | 0 | 112.6 | | |
| 53 | G | 46 | Very low | 38.6 | Very low | 72 Ų | 72 | 128 Ų | 128 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | | | trans | -52.6 | 146.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 54 | Y | 35.3 | Very low | 38.7 | Very low | 196 Ų | 196 | 134.4 Ų | 134.4 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | -149 | 104.8 | 150.2 | -115.1 | -79.3 | 0 | 0 | 0 | 107.4 | F56 | Y54-F56 PolarHBondContact O-N 2.74Å; Y54-F56 HydrophobicContact CG-CE2 3.84Å; Y54-F56 AromaticContact CG-CE2 3.84Å; Y54-F56 HydrophobicContact CD1-CE2 3.03Å; Y54-F56 HydrophobicContact CG-CD2 4.36Å; Y54-F56 HydrophobicContact CE1-CZ 3.59Å; Y54-F56 AromaticContact CE1-CZ 3.59Å; Y54-F56 AromaticContact CE1-CE2 3.58Å; Y54-F56 HydrophobicContact CD1-CZ 3.51Å; Y54-F56 AromaticContact CD1-CZ 3.51Å; Y54-F56 AromaticContact CD1-CE2 3.03Å; Y54-F56 HydrophobicContact CD1-CD2 3.76Å; Y54-F56 AromaticContact CD1-CD2 3.76Å; Y54-F56 HydrophobicContact CE1-CE2 3.58Å |
| 55 | C | 51.4 | Low | 38.8 | Very low | 124 Ų | 124 | 126.7 Ų | 126.7 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | | | trans | -47.4 | 117.4 | 155.1 | -67.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 56 | F | 37.2 | Very low | 38.9 | Very low | 181 Ų | 181 | 129 Ų | 129 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | -154.5 | 121.2 | 151.5 | -70.6 | -69 | 0 | 0 | 0 | 105.6 | Y54 | Y54-F56 PolarHBondContact O-N 2.74Å; Y54-F56 HydrophobicContact CG-CE2 3.84Å; Y54-F56 AromaticContact CG-CE2 3.84Å; Y54-F56 HydrophobicContact CD1-CE2 3.03Å; Y54-F56 HydrophobicContact CG-CD2 4.36Å; Y54-F56 HydrophobicContact CE1-CZ 3.59Å; Y54-F56 AromaticContact CE1-CZ 3.59Å; Y54-F56 AromaticContact CE1-CE2 3.58Å; Y54-F56 HydrophobicContact CD1-CZ 3.51Å; Y54-F56 AromaticContact CD1-CZ 3.51Å; Y54-F56 AromaticContact CD1-CE2 3.03Å; Y54-F56 HydrophobicContact CD1-CD2 3.76Å; Y54-F56 AromaticContact CD1-CD2 3.76Å; Y54-F56 HydrophobicContact CE1-CE2 3.58Å |
| 57 | G | 36.5 | Very low | 39.1 | Very low | 74 Ų | 74 | 126.4 Ų | 126.4 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | | | cis | 159.5 | 116.7 | 12 | 0 | 0 | 0 | 0 | 0 | 104.5 | | |
| 58 | G | 33.1 | Very low | 39.6 | Very low | 72 Ų | 72 | 130.6 Ų | 130.6 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | | | | 106.4 | 137.1 | 117.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 59 | S | 37.3 | Very low | 40 | Very low | 106 Ų | 106 | 132 Ų | 132 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | | | cis | -162.9 | 139.4 | 26.9 | -45.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 60 | N | 35.2 | Very low | 40.1 | Very low | 135 Ų | 135 | 124 Ų | 124 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | trans | 74.4 | 76.5 | 162.7 | -51.1 | -58.1 | 0 | 0 | 0 | 117.8 | | |
| 61 | F | 41.9 | Very low | 40.7 | Very low | 218 Ų | 218 | 123.7 Ų | 123.7 | 96% | 0.956 | 78% | 0.776 | S | S | * | * | | | | -115.3 | 93.6 | 127.6 | -84.7 | -84.5 | 0 | 0 | 0 | 107.6 | N63 | F61-N63 PolarHBondContact O-N 3.19Å; F61-N63 VanDerWaalsContact C-N 3.3Å |
| 62 | S | 38.1 | Very low | 40.8 | Very low | 113 Ų | 113 | 123.6 Ų | 123.6 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | trans | -51.2 | 94.5 | 163.3 | -75.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 63 | N | 38.2 | Very low | 41.2 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 63% | 0.631 | 77% | 0.773 | S | S | * | * | | | trans | -150.3 | 68.2 | 149.1 | -155.9 | -93.8 | 0 | 0 | 0 | 108.2 | F61 G65 | F61-N63 PolarHBondContact O-N 3.19Å; F61-N63 VanDerWaalsContact C-N 3.3Å; N63-G65 PolarHBondContact O-N 3.27Å; N63-G65 PolarHBondContact OD1-O 2.85Å |
| 64 | L | 45.3 | Very low | 41 | Very low | 190 Ų | 190 | 131.7 Ų | 131.7 | 100% | 0.995 | 77% | 0.773 | S | S | * | * | | | trans | -72.5 | 84.4 | 160.2 | -152.7 | 92.8 | 0 | 0 | 0 | 106.5 | | |
| 65 | G | 41.2 | Very low | 41.2 | Very low | 55 Ų | 55 | 128 Ų | 128 | 57% | 0.567 | 77% | 0.773 | S | S | * | * | | | trans | 139.6 | 77.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | N63 | N63-G65 PolarHBondContact O-N 3.27Å; N63-G65 PolarHBondContact OD1-O 2.85Å |
| 66 | C | 35.8 | Very low | 40.6 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 76% | 0.757 | 78% | 0.781 | S | S | * | * | | | trans | -175.6 | 101.6 | 145.6 | -91.5 | 0 | 0 | 0 | 0 | 104.3 | | |
| 67 | G | 41.6 | Very low | 41 | Very low | 66 Ų | 66 | 129.4 Ų | 129.4 | 68% | 0.68 | 78% | 0.778 | S | S | * | * | | | | 55.8 | 99 | 84.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 68 | Y | 47 | Very low | 41.4 | Very low | 245 Ų | 245 | 130.2 Ų | 130.2 | 96% | 0.961 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 50.3 | 98.4 | 164.9 | -75.4 | -97.9 | 0 | 0 | 0 | 117 | | |
| 69 | G | 46.8 | Very low | 42.5 | Very low | 87 Ų | 87 | 130.2 Ų | 130.2 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | | | trans | 165.7 | 85.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 70 | G | 41.1 | Very low | 42.8 | Very low | 65 Ų | 65 | 130.5 Ų | 130.5 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | | | trans | -170.8 | 52 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | C72 | G70-C72 PolarHBondContact O-N 3.01Š|
| 71 | S | 44.2 | Very low | 43.5 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | trans | -68.5 | 72.5 | 170.8 | 56.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 72 | C | 47 | Very low | 43.7 | Very low | 97 Ų | 97 | 126 Ų | 126 | 66% | 0.655 | 77% | 0.77 | S | S | * | * | | | trans | -64.8 | 131.8 | 145.3 | 41.3 | 0 | 0 | 0 | 0 | 105.9 | G70 | G70-C72 PolarHBondContact O-N 3.01Š|
| 73 | Y | 45.1 | Very low | 43.8 | Very low | 205 Ų | 205 | 124.4 Ų | 124.4 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | 85.5 | 85.9 | -174.3 | -45.2 | -72.3 | 0 | 0 | 0 | 116.8 | | |
| 74 | R | 41.2 | Very low | 43.8 | Very low | 198 Ų | 198 | 128.7 Ų | 128.7 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | | | | -130.7 | 103.7 | 129.5 | -74 | -167.4 | -177.4 | -157.4 | 3.6 | 109.6 | S78 | R74-S78 PolarHBondContact NH1-OG 3.06Š|
| 75 | P | 40.7 | Very low | 43.3 | Very low | 118 Ų | 118 | 124.8 Ų | 124.8 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | trans | -72.9 | 128.4 | 166 | 30.4 | -27.6 | 0 | 0 | 0 | 108.4 | | |
| 76 | W | 39.1 | Very low | 43.2 | Very low | 263 Ų | 263 | 127.2 Ų | 127.2 | 100% | 0.996 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 32.3 | 101.5 | 158.9 | -133.2 | -82.9 | 0 | 0 | 0 | 117.7 | | |
| 77 | G | 44.3 | Very low | 43.6 | Very low | 72 Ų | 72 | 136.7 Ų | 136.7 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | | | trans | 119.6 | 46.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 78 | S | 45.6 | Very low | 43.7 | Very low | 90 Ų | 90 | 140.3 Ų | 140.3 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | | | trans | -109.4 | 88.4 | 162.6 | -88.6 | 0 | 0 | 0 | 0 | 109.6 | R74 | R74-S78 PolarHBondContact NH1-OG 3.06Š|
| 79 | G | 56.1 | Low | 43.5 | Very low | 73 Ų | 73 | 134.7 Ų | 134.7 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | | | trans | -177.6 | 7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 117 | G81 | G79-G81 VanDerWaalsContact C-N 3.3Å; G79-G81 PolarHBondContact O-N 3.22Å |
| 80 | S | 42.5 | Very low | 43.4 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | -79.8 | 83.3 | 169.8 | 51 | 0 | 0 | 0 | 0 | 109.5 | F82 | S80-F82 PolarHBondContact O-N 3.2Š|
| 81 | G | 50.7 | Low | 43.5 | Very low | 76 Ų | 76 | 141.6 Ų | 141.6 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | | | trans | -69.7 | 59.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G79 | G79-G81 VanDerWaalsContact C-N 3.3Å; G79-G81 PolarHBondContact O-N 3.22Å |
| 82 | F | 46.5 | Very low | 43.4 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | | | trans | -107.2 | 73.9 | 159.7 | -77 | -79.3 | 0 | 0 | 0 | 108 | S80 Y84 | S80-F82 PolarHBondContact O-N 3.2Å; F82-Y84 PolarHBondContact O-N 3.25Å |
| 83 | G | 39.4 | Very low | 43.2 | Very low | 79 Ų | 79 | 146.8 Ų | 146.8 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | | | trans | -81.7 | 107.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 84 | Y | 38.5 | Very low | 43.1 | Very low | 208 Ų | 208 | 142.6 Ų | 142.6 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | | | trans | -75.9 | 136.9 | 163.8 | -79.8 | -91.4 | 0 | 0 | 0 | 110.1 | F82 | F82-Y84 PolarHBondContact O-N 3.25Š|
| 85 | S | 35.3 | Very low | 43.2 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | | | trans | 66.9 | 143.1 | 156.4 | -7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 86 | T | 39.5 | Very low | 43.4 | Very low | 105 Ų | 105 | 140.1 Ų | 140.1 | 64% | 0.644 | 81% | 0.812 | S | S | * | * | | | cis | -161.3 | 131.1 | 19.3 | 36.2 | 0 | 0 | 0 | 0 | 106.3 | | |
| 87 | Y | 43.9 | Very low | 43.8 | Very low | 312 Ų | 312 | 128.9 Ų | 128.9 | 100% | 1.224 | 80% | 0.795 | S | S | * | * | | | trans | -168.1 | 0 | 137.4 | -71.8 | -61.9 | 0 | 0 | 0 | 108.1 | | |