# 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 G C C 41.88 4.19 13.49 18.58 102.45 46.05 -55.51 -43.66 99.77 0.02 0.21 99.50 0.15 0.17 0.17 0.01 0.00 0.00 0.01 1 S H H 73.47 2.21 11.05 13.94 98.61 54.03 -72.83 -34.43 43.97 0.14 55.89 35.53 1.24 6.46 54.97 1.67 0.00 0.05 0.08 2 M H H 121.30 1.74 10.67 13.09 94.53 57.07 -67.37 -37.27 13.98 0.06 85.96 5.99 2.19 5.84 83.74 2.18 0.00 0.02 0.03 3 W H H 157.32 1.79 11.40 13.82 93.14 52.21 -65.66 -39.70 5.51 0.02 94.46 2.05 0.80 2.53 92.68 1.92 0.00 0.01 0.01 4 N H H 94.16 1.80 12.42 14.61 92.44 51.27 -65.66 -39.43 3.44 0.02 96.54 1.42 0.46 1.49 95.42 1.21 0.00 0.01 0.00 5 R H H 139.78 1.44 13.33 14.53 91.98 50.95 -65.24 -40.32 1.96 0.01 98.03 0.70 0.24 0.88 97.60 0.57 0.00 0.00 0.00 6 R H H 138.99 1.58 13.68 15.16 91.94 50.38 -65.09 -41.12 1.44 0.01 98.55 0.50 0.15 0.67 98.33 0.34 0.00 0.00 0.00 7 L H H 94.65 1.99 13.61 15.92 91.88 49.94 -64.85 -41.32 1.10 0.00 98.89 0.36 0.10 0.52 98.76 0.25 0.00 0.00 0.00 8 Q H H 112.57 1.48 14.77 15.74 91.79 50.25 -64.83 -40.86 0.91 0.00 99.09 0.29 0.08 0.42 99.05 0.16 0.00 0.00 0.00 9 Q H H 109.94 1.46 15.15 15.91 92.01 49.79 -65.00 -41.17 0.98 0.00 99.02 0.24 0.08 0.51 99.03 0.14 0.00 0.00 0.00 10 T H H 72.34 2.09 14.81 16.98 91.95 49.45 -64.57 -41.72 1.05 0.00 98.95 0.29 0.09 0.52 98.98 0.13 0.00 0.00 0.00 11 C H H 71.55 2.11 15.06 17.26 91.84 50.02 -64.34 -40.79 0.82 0.00 99.18 0.20 0.06 0.41 99.22 0.11 0.00 0.00 0.00 12 A H H 56.37 2.03 15.17 17.21 91.57 51.02 -63.79 -41.17 0.77 0.00 99.23 0.14 0.05 0.42 99.27 0.11 0.00 0.00 0.00 13 Q H H 107.59 1.61 15.70 16.65 91.88 50.08 -65.17 -40.96 1.02 0.00 98.98 0.16 0.06 0.60 99.04 0.13 0.00 0.00 0.00 14 V H H 82.97 2.06 14.79 16.89 91.84 49.56 -64.74 -41.55 0.71 0.00 99.29 0.15 0.05 0.37 99.35 0.08 0.00 0.00 0.00 15 D H H 88.24 1.81 15.16 16.76 91.72 50.44 -64.58 -40.52 0.48 0.00 99.52 0.11 0.03 0.23 99.58 0.05 0.00 0.00 0.00 16 E H H 113.96 1.59 15.49 16.48 91.90 50.23 -64.85 -40.97 0.46 0.00 99.54 0.06 0.02 0.27 99.59 0.05 0.00 0.00 0.00 17 V H H 83.92 1.83 15.34 16.79 91.97 49.49 -64.90 -42.08 0.34 0.00 99.66 0.05 0.02 0.18 99.70 0.04 0.00 0.00 0.00 18 V H H 77.65 2.31 14.86 17.48 91.83 49.48 -64.22 -41.84 0.24 0.00 99.76 0.04 0.01 0.12 99.80 0.03 0.00 0.00 0.00 19 D H H 83.07 1.94 15.29 17.09 91.67 50.34 -64.35 -41.03 0.34 0.00 99.66 0.05 0.01 0.18 99.71 0.04 0.00 0.00 0.00 20 I H H 99.71 1.56 15.33 16.21 91.54 49.75 -64.20 -41.71 0.28 0.00 99.72 0.03 0.01 0.16 99.74 0.04 0.00 0.00 0.00 21 M H H 107.49 1.73 15.07 16.45 91.68 49.75 -64.57 -40.81 0.38 0.00 99.62 0.05 0.02 0.23 99.64 0.06 0.00 0.00 0.00 22 R H H 136.21 1.81 15.19 16.82 91.84 50.24 -64.71 -40.66 0.68 0.00 99.32 0.08 0.04 0.43 99.36 0.09 0.00 0.00 0.00 23 V H H 81.42 1.86 15.20 16.85 91.72 49.71 -64.11 -41.94 1.19 0.00 98.81 0.16 0.08 0.76 98.89 0.11 0.00 0.00 0.00 24 N H H 88.11 1.85 15.41 16.97 91.89 49.99 -64.55 -40.72 2.11 0.00 97.89 0.35 0.14 1.30 98.06 0.15 0.00 0.00 0.00 25 V H H 82.87 1.92 15.09 16.86 91.86 49.90 -64.58 -41.54 0.94 0.00 99.06 0.19 0.07 0.50 99.11 0.13 0.00 0.00 0.00 26 D H H 85.79 1.70 15.53 16.77 91.71 50.29 -64.65 -40.49 0.67 0.00 99.32 0.13 0.04 0.35 99.36 0.11 0.00 0.00 0.00 27 K H H 118.12 1.71 15.38 16.70 92.00 50.47 -65.02 -40.75 0.81 0.00 99.19 0.12 0.05 0.48 99.21 0.14 0.00 0.00 0.00 28 V H H 82.17 1.92 14.84 16.71 91.84 49.96 -64.33 -41.69 0.76 0.00 99.24 0.13 0.06 0.44 99.24 0.14 0.00 0.00 0.00 29 L H H 94.24 1.64 15.07 16.25 91.58 49.95 -64.29 -41.01 1.11 0.00 98.89 0.24 0.09 0.61 98.87 0.19 0.00 0.00 0.00 30 E H H 110.63 1.52 15.27 16.14 91.76 49.82 -64.61 -40.64 1.99 0.00 98.01 0.38 0.15 1.20 97.97 0.30 0.00 0.00 0.00 31 R H H 131.68 1.77 14.79 16.40 91.78 50.06 -64.66 -40.59 2.47 0.00 97.53 0.48 0.22 1.50 97.36 0.43 0.00 0.00 0.00 32 D H H 86.09 1.79 14.75 16.38 91.60 50.75 -64.72 -39.84 3.18 0.00 96.82 0.78 0.31 1.78 96.49 0.63 0.00 0.00 0.00 33 Q H H 107.07 1.51 15.22 16.09 91.92 50.48 -65.19 -40.08 4.94 0.01 95.04 1.10 0.48 2.98 94.53 0.90 0.00 0.00 0.01 34 K H H 121.36 1.60 15.17 16.30 92.07 50.33 -65.00 -40.62 6.52 0.02 93.46 1.70 0.65 3.77 92.78 1.07 0.00 0.01 0.01 35 L H H 92.91 1.94 14.49 16.49 91.68 50.54 -64.56 -41.02 4.10 0.01 95.89 1.38 0.48 1.98 95.08 1.06 0.00 0.00 0.01 36 S H H 61.82 1.75 15.15 16.55 91.43 50.60 -64.36 -40.92 4.88 0.02 95.10 1.50 0.50 2.54 94.39 1.05 0.00 0.01 0.01 37 E H H 110.75 1.53 15.50 16.30 91.92 49.95 -64.76 -40.75 4.45 0.01 95.54 1.13 0.43 2.51 95.10 0.81 0.00 0.00 0.00 38 L H H 92.41 1.92 14.75 16.66 91.91 50.22 -64.52 -41.20 1.82 0.00 98.18 0.54 0.20 0.87 98.02 0.37 0.00 0.00 0.00 39 D H H 86.69 1.81 14.90 16.59 91.54 50.29 -64.20 -40.69 1.23 0.00 98.77 0.36 0.11 0.58 98.73 0.21 0.00 0.00 0.00 40 D H H 90.33 1.46 15.60 16.24 92.08 49.88 -64.96 -40.79 1.07 0.00 98.93 0.23 0.09 0.56 98.95 0.17 0.00 0.00 0.00 41 R H H 141.07 1.45 15.72 16.39 92.03 49.86 -65.17 -41.02 0.64 0.00 99.35 0.11 0.05 0.35 99.37 0.12 0.00 0.00 0.00 42 A H H 55.07 2.50 14.39 17.57 91.61 50.49 -63.90 -41.36 0.51 0.00 99.49 0.09 0.04 0.27 99.51 0.10 0.00 0.00 0.00 43 D H H 89.58 1.64 15.70 16.81 91.78 49.79 -64.69 -40.53 0.58 0.00 99.42 0.09 0.04 0.32 99.46 0.10 0.00 0.00 0.00 44 A H H 64.63 1.57 15.55 16.43 91.84 50.78 -64.31 -41.08 0.64 0.00 99.36 0.09 0.04 0.37 99.38 0.12 0.00 0.00 0.00 45 L H H 101.07 1.69 15.12 16.43 92.06 49.78 -64.93 -40.93 0.80 0.00 99.20 0.12 0.05 0.45 99.22 0.16 0.00 0.00 0.00 46 Q H H 112.46 1.70 15.30 16.72 92.05 50.03 -64.77 -40.39 1.39 0.00 98.61 0.22 0.10 0.83 98.61 0.24 0.00 0.00 0.00 47 A H H 62.70 1.67 15.29 16.49 91.72 50.41 -64.24 -40.76 3.17 0.00 96.83 0.33 0.20 2.24 96.82 0.40 0.00 0.00 0.00 48 G H H 38.55 1.93 14.88 16.79 92.10 50.06 -64.64 -40.11 7.50 0.01 92.49 0.97 0.57 5.27 92.48 0.69 0.00 0.00 0.00 49 A H H 56.49 2.40 13.85 16.94 91.91 51.83 -64.42 -40.52 5.55 0.02 94.43 1.61 0.67 2.88 93.46 1.36 0.00 0.01 0.01 50 S H H 66.00 1.80 14.54 16.21 92.08 51.15 -64.79 -40.17 6.45 0.03 93.53 1.92 0.73 3.47 92.08 1.77 0.00 0.01 0.01 51 Q H H 116.98 1.29 14.28 14.91 92.31 51.00 -65.54 -40.17 7.21 0.04 92.75 2.31 0.91 3.76 91.23 1.75 0.00 0.02 0.02 52 F H H 130.15 1.43 13.30 14.47 92.40 50.21 -65.50 -40.38 6.80 0.08 93.12 3.16 1.05 2.71 91.63 1.37 0.00 0.04 0.03 53 E H H 120.05 1.44 12.74 14.16 92.65 50.74 -65.46 -39.75 6.52 0.10 93.38 3.23 0.91 2.48 92.04 1.27 0.00 0.05 0.03 54 T H H 84.58 1.53 11.79 13.53 93.34 50.36 -66.57 -39.43 8.39 0.09 91.52 3.43 1.23 3.81 89.81 1.64 0.00 0.05 0.03 55 S H H 76.63 1.29 11.03 12.47 93.70 51.32 -67.40 -35.88 13.24 0.07 86.69 3.84 1.77 7.33 85.09 1.89 0.01 0.03 0.04 56 A H H 82.77 1.26 9.36 11.21 94.26 54.36 -71.11 -27.77 26.05 0.14 73.81 6.38 3.59 15.81 72.15 1.92 0.02 0.05 0.09 57 A C H 86.38 1.38 8.52 10.83 98.33 58.81 -78.93 -10.75 54.51 0.24 45.24 26.51 1.85 24.15 45.90 1.34 0.00 0.08 0.16 58 K C C 154.06 1.87 11.03 14.02 103.91 76.26 -79.06 44.90 99.94 0.01 0.05 99.79 0.06 0.11 0.04 0.00 0.00 0.00 0.00