# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 R C C 145.85 3.80 11.58 16.77 107.85 -148.39 -78.83 113.39 99.88 0.02 0.10 99.80 0.05 0.06 0.07 0.00 0.00 0.01 0.00 1 K C C 139.21 2.28 10.19 13.64 100.41 66.77 -73.29 -34.91 56.78 0.39 42.83 51.43 0.94 4.37 41.55 1.38 0.00 0.14 0.19 2 K H H 145.06 1.58 10.02 12.25 95.56 52.82 -68.72 -37.78 27.93 0.23 71.84 17.17 4.19 6.54 69.83 2.07 0.00 0.09 0.11 3 R H H 149.24 1.83 10.83 13.40 93.88 51.79 -67.49 -38.02 15.64 0.12 84.23 8.91 2.38 4.50 82.09 2.01 0.00 0.05 0.06 4 D H H 83.09 2.26 11.70 14.88 93.03 52.31 -65.64 -39.05 7.13 0.04 92.83 3.60 1.10 2.38 91.68 1.20 0.00 0.01 0.02 5 G H H 36.65 2.38 12.13 15.54 92.11 51.50 -64.15 -41.03 4.64 0.02 95.34 1.93 0.65 1.94 94.60 0.86 0.00 0.01 0.01 6 W H H 150.31 1.74 12.97 14.87 92.25 50.32 -65.14 -40.78 2.51 0.01 97.48 0.88 0.30 1.17 97.11 0.53 0.00 0.01 0.00 7 L H H 96.37 1.92 13.32 15.56 91.95 49.95 -64.62 -41.37 1.26 0.01 98.73 0.40 0.14 0.59 98.62 0.25 0.00 0.00 0.00 8 M H H 106.88 1.88 13.59 15.68 92.10 49.94 -64.93 -40.65 1.10 0.00 98.89 0.33 0.10 0.54 98.86 0.16 0.00 0.00 0.00 9 T H H 78.26 1.71 13.98 15.55 92.05 50.11 -65.03 -41.31 0.83 0.00 99.17 0.21 0.06 0.44 99.18 0.11 0.00 0.00 0.00 10 F H H 120.55 1.67 14.12 15.54 92.36 48.79 -65.41 -41.50 0.44 0.00 99.56 0.10 0.03 0.23 99.57 0.07 0.00 0.00 0.00 11 T H H 72.74 2.29 13.54 16.38 92.08 50.04 -65.10 -41.28 0.29 0.00 99.71 0.06 0.02 0.16 99.72 0.04 0.00 0.00 0.00 12 W H H 149.83 1.66 14.21 15.65 91.90 49.86 -64.65 -41.47 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 13 L H H 98.76 1.53 14.35 15.43 91.70 49.94 -64.23 -41.74 0.06 0.00 99.94 0.01 0.00 0.04 99.95 0.01 0.00 0.00 0.00 14 V H H 86.41 1.80 14.10 15.82 91.75 49.52 -64.27 -42.03 0.06 0.00 99.94 0.01 0.00 0.04 99.95 0.01 0.00 0.00 0.00 15 L H H 97.42 1.67 14.11 15.65 91.66 49.54 -64.36 -41.53 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 16 F H H 125.50 1.56 14.33 15.52 91.94 49.19 -64.85 -41.26 0.17 0.00 99.83 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 17 V H H 87.46 1.81 14.38 16.09 92.13 49.58 -64.65 -41.91 0.38 0.00 99.61 0.04 0.02 0.26 99.61 0.07 0.00 0.00 0.00 18 V H H 89.34 1.68 14.81 16.13 92.20 48.84 -64.97 -42.03 0.88 0.01 99.12 0.08 0.05 0.63 99.07 0.17 0.00 0.00 0.00 19 I H H 102.29 1.55 15.07 16.04 92.13 48.45 -65.00 -41.72 2.83 0.02 97.15 0.29 0.21 2.14 96.84 0.51 0.01 0.01 0.00 20 G H H 38.04 2.24 14.06 16.80 92.18 50.08 -64.43 -41.45 9.26 0.04 90.70 0.93 0.71 7.18 90.09 1.04 0.01 0.02 0.02 21 L H H 98.87 1.90 14.95 16.68 92.40 49.40 -65.37 -40.57 14.78 0.11 85.11 2.95 1.84 9.97 83.13 1.96 0.03 0.05 0.06 22 S H H 62.55 1.89 15.05 16.76 92.21 50.60 -65.17 -40.50 18.16 0.19 81.65 3.77 2.58 12.16 79.25 2.00 0.05 0.09 0.11 23 G H H 38.06 2.17 14.48 16.94 92.72 51.05 -64.78 -40.47 22.05 0.17 77.78 4.26 2.80 15.11 75.72 1.90 0.04 0.07 0.10 24 A H H 59.42 2.27 13.93 16.69 92.28 51.42 -65.08 -40.81 11.24 0.07 88.69 2.34 1.65 7.27 87.09 1.54 0.03 0.03 0.04 25 W H H 151.95 1.79 14.34 16.03 92.65 50.88 -64.81 -40.96 5.89 0.04 94.07 1.12 0.77 4.01 92.69 1.36 0.02 0.02 0.02 26 W H H 155.20 1.52 14.51 15.64 92.33 50.08 -64.55 -41.46 2.84 0.02 97.14 0.59 0.33 1.88 96.13 1.04 0.01 0.01 0.01 27 W H H 152.32 1.68 14.47 15.94 92.21 49.47 -65.03 -41.09 1.58 0.01 98.41 0.37 0.18 0.98 97.76 0.70 0.00 0.01 0.00 28 Q H H 106.52 1.93 14.83 16.76 92.26 50.04 -64.86 -40.24 1.65 0.01 98.34 0.37 0.18 0.99 98.04 0.42 0.00 0.00 0.00 29 A H H 61.75 2.09 14.93 17.14 92.35 50.37 -65.17 -40.29 2.15 0.01 97.85 0.48 0.23 1.23 97.74 0.31 0.00 0.00 0.00 30 A H H 61.18 2.10 15.28 17.37 92.38 50.69 -65.24 -40.48 2.49 0.01 97.50 0.65 0.27 1.32 97.44 0.32 0.00 0.00 0.00 31 A H H 61.94 2.15 15.59 17.69 92.41 50.61 -64.74 -40.70 2.32 0.01 97.67 0.66 0.25 1.15 97.64 0.30 0.00 0.00 0.00 32 A H H 60.20 2.24 15.39 17.77 92.44 50.56 -64.83 -40.70 2.14 0.01 97.85 0.60 0.23 1.04 97.85 0.27 0.00 0.00 0.00 33 A H H 62.85 2.04 15.74 17.64 92.22 50.57 -64.70 -40.75 1.85 0.00 98.14 0.49 0.19 0.90 98.17 0.25 0.00 0.00 0.00 34 A H H 65.19 1.95 15.92 17.61 92.04 50.58 -64.55 -40.61 1.89 0.00 98.11 0.47 0.17 0.96 98.14 0.26 0.00 0.00 0.00 35 A H H 62.87 2.07 15.59 17.60 92.02 50.72 -64.63 -40.91 1.66 0.00 98.34 0.43 0.16 0.81 98.38 0.22 0.00 0.00 0.00 36 A H H 63.80 1.94 15.98 17.66 92.01 50.22 -64.71 -41.02 1.39 0.00 98.61 0.38 0.13 0.64 98.66 0.17 0.00 0.00 0.00 37 A H H 61.29 2.09 15.92 17.90 92.09 50.58 -64.37 -41.26 0.98 0.00 99.01 0.24 0.08 0.46 99.08 0.13 0.00 0.00 0.00 38 A H H 60.05 2.20 16.00 18.16 91.96 50.50 -64.31 -41.46 0.75 0.00 99.25 0.15 0.06 0.38 99.30 0.12 0.00 0.00 0.00 39 A H H 62.39 2.02 16.08 17.85 91.87 50.12 -64.13 -41.02 0.69 0.00 99.31 0.12 0.05 0.36 99.36 0.11 0.00 0.00 0.00 40 A H H 60.97 2.03 16.07 17.89 91.75 50.59 -64.19 -41.34 0.64 0.00 99.36 0.10 0.04 0.34 99.41 0.10 0.00 0.00 0.00 41 K H H 124.72 1.75 16.55 17.80 91.69 50.36 -64.50 -40.83 0.71 0.00 99.29 0.10 0.04 0.40 99.33 0.11 0.00 0.00 0.00 42 A H H 59.83 2.30 15.18 17.75 91.76 51.05 -64.07 -41.18 0.84 0.00 99.16 0.13 0.05 0.49 99.20 0.13 0.00 0.00 0.00 43 L H H 104.57 1.65 15.80 16.91 91.87 50.16 -64.86 -41.05 0.95 0.00 99.05 0.16 0.07 0.57 99.04 0.16 0.00 0.00 0.00 44 I H H 106.69 1.56 15.89 16.78 92.06 48.96 -64.60 -41.88 1.11 0.01 98.89 0.23 0.10 0.66 98.84 0.18 0.00 0.00 0.00 45 V H H 89.68 1.82 15.72 17.16 92.24 48.79 -64.65 -42.15 1.25 0.01 98.74 0.25 0.12 0.74 98.72 0.17 0.00 0.00 0.00 46 Y H H 138.47 1.82 15.81 17.30 92.08 49.07 -64.46 -41.36 1.24 0.00 98.76 0.23 0.11 0.74 98.73 0.19 0.00 0.00 0.00 47 G H H 39.03 2.15 15.72 17.85 91.90 50.35 -63.68 -42.06 1.74 0.00 98.26 0.27 0.13 1.12 98.23 0.24 0.00 0.00 0.00 48 A H H 63.05 1.84 15.86 17.28 92.06 50.08 -64.59 -41.42 1.40 0.00 98.60 0.24 0.12 0.85 98.53 0.25 0.00 0.00 0.00 49 A H H 62.03 1.98 15.50 17.31 91.90 50.43 -64.37 -41.58 1.22 0.00 98.78 0.24 0.11 0.68 98.72 0.24 0.00 0.00 0.00 50 A H H 63.21 1.82 15.14 16.71 91.96 50.49 -64.38 -41.71 1.31 0.00 98.68 0.28 0.12 0.71 98.59 0.30 0.00 0.00 0.00 51 A H H 65.58 1.54 14.53 15.64 91.90 50.35 -64.16 -40.81 1.63 0.01 98.36 0.35 0.15 0.91 98.16 0.42 0.00 0.00 0.00 52 A H H 67.65 1.51 13.20 14.61 91.89 50.73 -64.48 -40.19 2.29 0.01 97.70 0.47 0.21 1.34 97.32 0.65 0.00 0.00 0.00 53 A H H 75.16 1.44 11.76 13.48 92.35 50.94 -65.53 -37.92 5.09 0.01 94.90 0.83 0.44 3.35 94.22 1.15 0.00 0.01 0.01 54 A H H 87.44 0.98 10.59 11.57 92.95 52.36 -67.66 -33.22 16.34 0.04 83.63 2.13 1.14 12.02 83.25 1.41 0.01 0.01 0.02 55 A H H 91.43 0.86 9.99 10.81 95.10 54.56 -74.95 -20.48 43.80 0.12 56.08 15.15 0.98 24.51 58.12 1.13 0.00 0.04 0.09 56 A C C 80.17 2.59 11.30 15.17 100.04 73.02 -75.19 -12.95 99.92 0.01 0.07 99.74 0.07 0.13 0.05 0.00 0.00 0.00 0.00