# 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 N C C 88.38 4.26 11.86 17.47 105.73 -141.42 -91.31 90.53 99.73 0.14 0.14 99.59 0.14 0.08 0.10 0.01 0.00 0.04 0.04 1 L H H 113.58 2.01 9.89 13.04 93.97 138.45 -66.89 -34.34 12.94 0.06 87.01 7.81 0.75 4.11 86.36 0.91 0.00 0.02 0.03 2 L H H 113.86 1.20 10.36 11.79 92.79 54.83 -65.30 -38.62 5.03 0.02 94.94 1.25 0.57 2.98 93.96 1.22 0.00 0.01 0.01 3 Q H H 108.19 1.73 10.97 13.40 92.44 52.60 -66.01 -38.98 2.78 0.03 97.19 0.85 0.32 1.52 95.69 1.59 0.00 0.01 0.01 4 I H H 98.66 1.89 11.46 14.03 92.51 51.14 -65.20 -40.89 1.84 0.02 98.13 0.58 0.22 0.98 97.16 1.03 0.00 0.01 0.01 5 V H H 87.70 1.64 12.62 14.39 92.38 49.71 -65.03 -40.87 1.67 0.02 98.31 0.47 0.17 0.93 97.64 0.76 0.00 0.01 0.01 6 R H H 138.04 1.56 12.86 14.44 92.29 50.52 -65.17 -39.92 2.75 0.01 97.24 0.40 0.20 1.91 96.23 1.24 0.01 0.01 0.01 7 D H H 83.21 2.18 12.77 15.51 92.72 50.35 -65.97 -39.08 7.57 0.02 92.41 0.51 0.42 6.31 91.31 1.42 0.01 0.01 0.01 8 H H H 107.79 2.35 12.44 15.58 93.00 51.48 -66.38 -38.93 12.81 0.03 87.16 0.95 0.85 10.72 85.77 1.66 0.02 0.01 0.02 9 W H H 151.77 1.88 12.83 15.08 92.57 52.05 -65.27 -40.15 6.72 0.04 93.24 1.13 0.71 4.60 86.47 7.03 0.02 0.02 0.02 10 V H H 90.69 1.84 13.04 15.15 92.76 49.56 -66.32 -39.37 5.43 0.02 94.55 0.40 0.32 4.42 84.51 10.31 0.01 0.01 0.01 11 H H H 123.42 1.88 12.94 15.17 94.15 47.41 -71.16 -35.41 10.19 0.02 89.79 0.40 0.48 9.12 81.07 8.89 0.02 0.01 0.01 12 V H H 87.63 2.29 12.83 15.76 95.39 46.95 -72.70 -37.34 28.68 0.10 71.22 1.32 2.43 24.82 66.48 4.75 0.09 0.04 0.08 13 L H H 97.69 2.16 13.28 15.87 94.27 50.40 -68.32 -38.57 23.00 0.31 76.68 6.24 5.17 12.71 72.46 3.05 0.06 0.13 0.18 14 V H H 84.08 2.12 13.52 16.02 93.20 53.83 -64.58 -42.14 19.40 0.16 80.44 4.63 2.36 12.40 74.19 6.23 0.03 0.08 0.08 15 P H H 79.48 2.08 14.34 16.59 92.57 48.73 -65.37 -39.88 15.46 0.12 84.41 4.23 1.38 9.44 77.79 7.02 0.01 0.07 0.05 16 M H H 106.40 1.99 14.29 16.37 92.59 50.46 -65.72 -39.90 3.97 0.02 96.00 1.04 0.43 2.24 91.47 4.80 0.00 0.01 0.01 17 G H H 38.35 2.46 14.12 17.22 92.20 51.54 -64.48 -40.74 1.98 0.01 98.01 0.34 0.18 1.33 96.71 1.44 0.00 0.00 0.00 18 F H H 124.18 1.84 14.82 16.57 92.35 49.10 -65.38 -40.98 1.02 0.01 98.98 0.14 0.07 0.71 98.19 0.89 0.00 0.00 0.00 19 V H H 83.82 2.15 15.03 17.29 92.23 49.04 -64.79 -42.22 0.50 0.00 99.49 0.07 0.04 0.33 99.28 0.27 0.00 0.00 0.00 20 I H H 95.59 1.92 15.51 17.16 92.00 48.83 -64.82 -41.90 0.25 0.00 99.75 0.03 0.02 0.16 99.70 0.09 0.00 0.00 0.00 21 G H H 34.09 2.50 14.69 17.90 91.75 50.32 -62.97 -41.70 0.33 0.00 99.67 0.03 0.01 0.23 99.64 0.09 0.00 0.00 0.00 22 C H H 67.84 2.29 14.91 17.50 91.86 49.49 -64.40 -41.65 0.40 0.00 99.60 0.03 0.02 0.30 99.54 0.11 0.00 0.00 0.00 23 Y H H 127.59 1.95 15.22 17.05 91.96 49.88 -64.28 -41.72 0.66 0.00 99.34 0.07 0.04 0.49 99.25 0.16 0.00 0.00 0.00 24 L H H 94.68 1.74 15.15 16.54 91.81 49.43 -64.87 -40.99 1.17 0.00 98.83 0.16 0.08 0.82 98.64 0.29 0.00 0.00 0.00 25 D H H 82.40 2.02 14.97 17.01 91.87 50.72 -64.97 -40.13 3.08 0.01 96.92 0.40 0.21 2.23 96.76 0.40 0.00 0.00 0.00 26 R H H 135.28 1.86 15.16 16.84 92.02 49.71 -65.39 -40.11 4.62 0.01 95.37 0.69 0.40 3.26 95.07 0.57 0.00 0.00 0.01 27 K H H 112.61 2.00 15.36 17.26 91.97 50.90 -64.43 -40.68 4.34 0.02 95.65 1.08 0.51 2.53 95.22 0.63 0.00 0.00 0.01 28 S H H 58.20 2.32 14.77 17.45 91.99 50.18 -64.43 -40.33 4.82 0.02 95.17 1.35 0.54 2.62 94.82 0.65 0.00 0.01 0.01 29 D H H 81.33 2.16 14.96 17.24 92.06 50.11 -65.19 -40.40 3.42 0.01 96.57 0.98 0.41 1.77 96.23 0.59 0.00 0.00 0.00 30 E H H 111.50 1.71 15.33 16.59 92.08 50.07 -65.11 -40.48 1.95 0.01 98.03 0.47 0.22 1.10 97.71 0.50 0.00 0.00 0.00 31 R H H 137.56 1.87 15.31 17.05 92.07 49.84 -64.83 -40.90 1.74 0.01 98.25 0.37 0.18 1.04 97.81 0.59 0.00 0.00 0.00 32 L H H 87.18 2.71 14.32 17.81 92.08 50.27 -64.91 -40.55 2.13 0.01 97.86 0.41 0.20 1.34 97.17 0.88 0.00 0.00 0.00 33 T H H 72.22 2.11 15.16 17.32 91.87 50.44 -64.51 -41.10 3.73 0.02 96.26 0.65 0.36 2.46 95.15 1.35 0.01 0.01 0.01 34 A H H 58.81 2.06 15.00 17.08 91.95 50.51 -64.64 -40.65 7.52 0.03 92.45 0.91 0.64 5.60 90.83 1.99 0.01 0.01 0.01 35 F H H 110.79 2.77 13.81 17.33 92.88 49.03 -66.63 -39.63 13.34 0.11 86.55 3.13 1.83 8.60 83.03 3.27 0.03 0.05 0.07 36 R H H 132.16 2.80 13.33 17.16 92.57 53.08 -65.08 -38.69 18.39 0.23 81.39 5.42 2.74 10.74 77.06 3.79 0.04 0.09 0.13 37 N H H 99.35 1.77 13.97 15.63 94.03 51.43 -71.02 -31.29 28.33 0.32 71.35 9.11 4.02 15.79 66.67 4.04 0.03 0.13 0.19 38 K H H 120.96 2.22 13.15 15.75 94.76 53.83 -71.52 -33.78 27.73 0.44 71.83 8.86 5.72 14.30 65.04 5.55 0.08 0.20 0.24 39 S H H 47.31 5.06 10.31 17.35 95.65 57.61 -71.60 -33.05 29.38 0.77 69.85 12.59 5.24 13.19 60.75 7.38 0.07 0.39 0.39 40 M H H 121.26 2.13 11.14 14.26 93.34 62.77 -68.51 -34.56 27.17 0.51 72.32 6.12 4.10 16.39 56.31 16.40 0.14 0.27 0.27 41 L H H 127.20 1.20 10.92 12.27 94.84 50.81 -72.12 -32.80 32.47 0.57 66.95 4.54 4.67 22.36 52.50 15.09 0.23 0.29 0.32 42 F C H 140.52 2.18 9.74 12.98 99.95 39.70 -93.36 0.88 52.05 1.19 46.76 8.56 10.96 32.73 34.73 11.51 0.20 0.52 0.79 43 K C C 165.34 1.47 10.33 12.93 98.64 -125.98 47.28 36.71 89.53 1.21 9.26 41.65 12.08 36.48 5.44 3.12 0.00 0.65 0.58 44 R C C 136.85 3.33 8.82 14.30 121.23 153.77 -98.64 147.82 95.53 3.09 1.38 80.32 12.46 2.71 0.53 0.82 0.00 1.74 1.41 45 E C C 154.62 1.18 12.63 14.22 114.22 -106.52 -78.75 135.70 93.29 6.12 0.59 89.87 2.81 0.79 0.22 0.29 0.00 3.33 2.69 46 L C C 82.59 9.53 6.73 16.86 116.73 -120.80 -80.87 142.93 92.65 7.22 0.13 89.60 2.93 0.15 0.06 0.05 0.00 2.36 4.85 47 Q C C 110.86 2.39 10.53 14.24 116.07 -110.73 -72.62 147.47 99.81 0.16 0.03 98.97 0.82 0.06 0.01 0.01 0.00 0.05 0.08 48 P C T 119.05 1.39 9.05 11.63 97.56 -104.06 -61.34 -27.57 98.33 0.10 1.57 2.39 4.25 91.60 0.10 1.56 0.00 0.05 0.05 49 S C T 103.00 0.44 10.06 9.44 96.08 32.79 -76.07 5.21 97.87 0.09 2.04 2.48 4.30 90.93 0.14 2.06 0.00 0.05 0.03 50 E C C 97.61 5.56 6.77 14.33 116.03 130.57 -81.52 142.09 93.18 0.89 5.94 66.86 23.35 2.95 1.39 4.39 0.00 0.33 0.73 51 E C C 154.01 1.06 11.73 13.13 114.96 -121.03 -82.53 139.08 94.93 1.38 3.69 85.26 7.47 2.28 1.55 1.92 0.00 0.61 0.90 52 V C C 93.31 6.70 7.37 15.57 113.94 -121.67 -82.44 133.84 93.66 2.10 4.23 83.53 6.27 4.01 1.28 2.77 0.00 1.16 1.00 53 T C C 96.75 2.72 9.35 13.63 107.13 -163.96 -94.32 17.15 92.87 3.04 4.09 75.63 9.82 7.11 1.23 2.87 0.00 1.64 1.69 54 W C C 175.78 3.64 7.33 12.72 108.42 97.81 -93.63 69.48 95.35 2.34 2.31 88.19 2.52 4.90 0.85 1.08 0.00 1.10 1.37 55 K C C 160.70 1.50 11.38 13.75 109.35 -134.88 -86.98 113.36 99.95 0.04 0.01 99.87 0.07 0.03 0.00 0.00 0.00 0.02 0.01