# 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 M C C 110.57 3.98 11.35 16.66 108.38 -135.49 -79.27 118.49 99.95 0.01 0.04 99.88 0.05 0.04 0.02 0.00 0.00 0.00 0.00 1 S C C 68.02 2.74 10.25 14.20 102.04 42.61 -72.98 -33.14 60.19 0.19 39.62 54.89 0.72 4.40 38.68 1.15 0.00 0.07 0.10 2 E H H 130.40 1.77 9.83 12.53 95.01 52.61 -67.41 -35.04 24.98 0.13 74.88 15.29 3.41 6.07 73.30 1.80 0.00 0.05 0.06 3 Q H H 117.53 1.54 10.88 12.92 92.78 53.68 -66.20 -39.28 9.86 0.08 90.06 5.25 1.56 3.26 87.90 1.96 0.00 0.04 0.03 4 V H H 86.30 1.94 11.36 13.96 92.20 50.36 -65.68 -40.30 5.21 0.05 94.74 2.82 0.79 1.74 92.90 1.70 0.00 0.02 0.02 5 Q H H 102.60 2.09 12.12 14.98 92.05 51.10 -65.04 -39.80 3.67 0.04 96.29 1.84 0.52 1.38 94.77 1.45 0.00 0.02 0.01 6 E H H 109.44 2.14 12.67 15.47 92.14 50.86 -65.00 -40.12 3.94 0.04 96.01 1.52 0.54 1.93 94.22 1.75 0.01 0.02 0.01 7 L H H 103.39 1.78 13.21 15.16 92.39 50.07 -66.35 -39.37 5.71 0.04 94.25 1.52 0.72 3.43 92.19 2.08 0.01 0.02 0.02 8 L H H 95.46 2.42 13.13 16.19 93.06 50.15 -68.51 -36.93 14.80 0.08 85.12 3.17 1.98 9.59 83.36 1.79 0.02 0.03 0.05 9 D H H 81.96 2.81 13.44 17.12 93.72 52.95 -68.65 -35.88 24.87 0.08 75.04 9.11 3.88 10.97 74.55 1.40 0.01 0.03 0.05 10 I H H 87.09 2.96 13.42 17.37 92.57 53.67 -64.66 -41.92 14.48 0.05 85.46 7.12 2.36 4.69 83.77 2.01 0.00 0.02 0.03 11 P H H 74.41 2.68 14.26 17.52 92.32 49.94 -64.82 -40.03 10.32 0.05 89.63 6.03 1.02 3.29 87.71 1.90 0.00 0.02 0.02 12 R H H 136.87 2.28 14.58 17.29 92.24 50.39 -65.73 -40.13 3.85 0.02 96.14 1.70 0.51 1.59 94.61 1.57 0.00 0.01 0.01 13 D H H 82.27 2.54 14.68 17.71 92.30 50.46 -65.22 -40.33 3.01 0.02 96.97 1.17 0.38 1.35 96.32 0.77 0.00 0.00 0.01 14 F H H 116.41 2.57 14.51 17.64 92.21 50.54 -64.54 -41.70 1.96 0.01 98.02 0.66 0.26 0.94 97.70 0.43 0.00 0.00 0.00 15 L H H 94.00 2.49 15.14 17.96 92.01 49.65 -64.46 -41.55 1.24 0.01 98.75 0.38 0.15 0.61 98.58 0.27 0.00 0.00 0.00 16 K H H 117.42 2.10 16.10 18.09 92.13 49.71 -64.69 -40.94 1.16 0.00 98.83 0.31 0.14 0.61 98.71 0.22 0.00 0.00 0.00 17 D H H 77.50 2.54 15.60 18.52 91.84 49.64 -64.72 -40.59 1.42 0.00 98.58 0.28 0.14 0.83 98.52 0.23 0.00 0.00 0.00 18 G H H 32.26 3.66 14.50 19.50 91.75 50.93 -63.75 -41.01 2.34 0.00 97.66 0.32 0.17 1.52 97.70 0.28 0.00 0.00 0.00 19 M H H 94.66 2.78 15.57 18.83 92.04 50.34 -64.52 -40.60 1.54 0.00 98.46 0.30 0.15 0.87 98.43 0.26 0.00 0.00 0.00 20 Q H H 96.28 2.23 15.18 17.60 91.87 50.93 -64.14 -41.34 1.27 0.00 98.72 0.25 0.12 0.75 98.38 0.49 0.00 0.00 0.00 21 F H H 112.41 2.88 14.05 17.77 92.16 50.21 -64.93 -41.23 1.37 0.00 98.62 0.22 0.12 0.91 97.77 0.98 0.00 0.00 0.00 22 I H H 96.00 3.77 13.21 18.11 92.27 49.27 -65.92 -39.32 1.93 0.01 98.06 0.23 0.16 1.41 96.41 1.78 0.00 0.00 0.00 23 H H H 134.36 1.77 13.91 15.92 93.07 50.73 -70.47 -29.57 10.97 0.02 89.01 0.58 0.66 9.63 86.97 2.14 0.01 0.01 0.01 24 K H H 142.08 1.69 13.04 14.99 94.87 53.36 -79.82 -14.99 35.69 0.11 64.20 2.84 3.29 29.36 61.62 2.72 0.05 0.04 0.09 25 C C C 65.35 7.47 7.70 16.65 109.12 87.34 -81.39 120.90 80.73 4.05 15.21 59.96 11.41 8.26 13.44 2.53 0.01 1.48 2.90 26 Q C C 134.98 1.79 12.60 15.16 109.85 85.24 -89.99 125.50 92.14 3.86 4.00 46.54 41.00 4.69 2.87 1.11 0.00 1.45 2.33 27 K C S 154.41 2.22 12.46 15.87 109.93 -70.39 -82.32 114.30 99.19 0.58 0.23 46.30 52.24 0.79 0.11 0.08 0.00 0.23 0.24 28 P C C 56.91 10.93 7.39 18.88 115.82 -124.27 -69.70 150.02 99.50 0.35 0.16 97.68 1.72 0.17 0.08 0.03 0.00 0.11 0.20 29 D C C 87.15 1.68 14.21 15.58 120.23 -119.22 -79.48 165.76 98.92 0.72 0.36 97.95 0.85 0.12 0.28 0.03 0.00 0.13 0.64 30 R H H 178.64 1.45 10.84 13.15 92.25 -99.30 -59.76 -37.28 2.38 0.00 97.61 0.29 0.39 1.45 97.57 0.29 0.00 0.00 0.00 31 K H H 142.58 0.94 12.95 13.14 92.08 52.33 -64.96 -39.87 1.30 0.00 98.70 0.13 0.10 0.91 98.53 0.32 0.00 0.00 0.00 32 E H H 87.16 3.67 11.72 17.04 92.04 49.67 -64.99 -40.59 0.50 0.00 99.50 0.08 0.04 0.30 99.28 0.31 0.00 0.00 0.00 33 F H H 107.52 3.45 12.32 17.14 92.08 50.21 -64.31 -41.50 0.17 0.00 99.83 0.03 0.01 0.08 99.80 0.07 0.00 0.00 0.00 34 K H H 121.38 1.59 14.69 15.89 91.76 49.72 -64.41 -41.10 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 35 K H H 119.52 1.87 15.30 16.97 92.12 49.59 -64.94 -41.09 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 36 V H H 75.54 3.44 14.67 19.10 92.08 49.34 -64.53 -42.07 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 37 C H H 68.30 2.60 15.51 18.45 91.83 49.76 -63.92 -41.69 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 38 Q H H 106.63 1.81 16.69 17.82 92.04 49.79 -64.63 -41.06 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 39 A H H 55.05 2.72 15.55 18.74 91.93 50.45 -64.34 -41.79 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 40 V H H 79.51 2.90 15.54 18.94 92.11 49.24 -64.60 -41.71 0.29 0.00 99.71 0.02 0.01 0.21 99.72 0.04 0.00 0.00 0.00 41 A H H 59.46 2.24 16.01 18.13 91.85 50.32 -63.85 -41.87 0.39 0.00 99.61 0.02 0.01 0.28 99.64 0.05 0.00 0.00 0.00 42 I H H 100.90 1.50 17.08 17.32 91.95 49.08 -64.46 -41.76 0.18 0.00 99.82 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 43 G H H 33.24 3.28 14.70 19.07 91.96 50.72 -63.17 -41.74 0.15 0.00 99.85 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 44 F H H 116.33 3.11 14.79 18.68 92.06 49.67 -64.72 -41.40 0.10 0.00 99.90 0.01 0.00 0.06 99.89 0.03 0.00 0.00 0.00 45 V H H 95.29 1.53 16.17 16.86 91.87 49.43 -64.54 -41.54 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 46 A H H 66.23 1.48 16.56 16.93 92.05 48.95 -64.60 -41.75 0.20 0.00 99.80 0.01 0.01 0.13 99.82 0.03 0.00 0.00 0.00 47 M H H 98.82 2.96 15.12 18.62 92.24 48.59 -65.02 -41.41 0.20 0.00 99.80 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 48 G H H 33.62 3.96 14.31 19.64 91.87 51.16 -63.35 -41.59 0.29 0.00 99.71 0.03 0.01 0.18 99.75 0.03 0.00 0.00 0.00 49 A H H 65.10 1.53 17.16 17.44 91.96 50.00 -64.39 -41.61 0.19 0.00 99.81 0.02 0.01 0.12 99.83 0.03 0.00 0.00 0.00 50 I H H 97.18 1.72 17.14 17.86 91.85 48.71 -64.79 -41.99 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 51 G H H 26.78 5.30 13.23 20.49 91.56 51.47 -63.22 -41.86 0.15 0.00 99.85 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 52 Y H H 128.86 2.31 15.55 18.00 91.80 50.46 -64.52 -41.49 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 53 I H H 105.85 1.19 16.21 15.87 92.04 49.48 -64.46 -41.93 0.15 0.00 99.85 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 54 V H H 80.20 2.87 14.25 17.74 92.17 48.86 -65.05 -41.28 0.29 0.00 99.71 0.02 0.01 0.20 99.68 0.09 0.00 0.00 0.00 55 K H H 108.27 4.54 12.76 18.74 91.96 51.59 -64.48 -39.88 0.66 0.00 99.34 0.04 0.02 0.53 99.05 0.36 0.00 0.00 0.00 56 L H H 109.44 1.37 14.60 15.31 92.22 49.70 -65.99 -39.20 2.43 0.00 97.57 0.09 0.08 2.25 96.63 0.95 0.00 0.00 0.00 57 V H H 97.36 1.37 14.52 15.07 93.64 47.52 -69.67 -37.13 14.09 0.01 85.90 0.32 0.47 13.64 84.30 1.24 0.01 0.00 0.01 58 H H H 95.30 4.68 11.97 18.17 95.06 47.87 -75.41 -30.79 23.14 0.04 76.82 1.65 1.57 19.70 74.90 2.11 0.02 0.01 0.03 59 I H H 89.59 3.39 12.54 17.34 92.24 61.97 -62.48 -42.42 12.53 0.16 87.31 3.57 1.92 6.90 75.87 11.54 0.02 0.09 0.08 60 P H H 84.67 1.36 14.46 15.09 91.96 50.04 -64.82 -39.80 10.75 0.20 89.04 3.59 1.18 5.55 77.77 11.69 0.01 0.13 0.07 61 I H H 99.07 1.97 13.20 15.42 92.78 49.40 -65.88 -40.53 7.15 0.16 92.70 2.08 1.00 3.77 80.54 12.45 0.02 0.09 0.05 62 N H H 84.26 3.77 11.36 16.69 92.99 51.78 -66.02 -38.59 13.01 0.20 86.80 3.66 1.87 7.37 79.99 6.85 0.07 0.11 0.08 63 N H H 106.91 1.65 11.99 14.10 93.32 52.19 -67.21 -36.26 24.16 0.26 75.59 4.89 2.91 16.42 69.06 6.41 0.05 0.14 0.12 64 I H H 121.07 1.21 11.50 12.59 94.21 51.84 -69.97 -36.64 26.85 0.82 72.33 7.27 4.95 15.70 65.86 5.32 0.13 0.45 0.33 65 L H H 120.55 1.62 10.22 12.51 95.94 49.61 -74.44 -30.62 33.97 3.90 62.13 13.73 7.66 14.83 55.15 4.75 0.29 2.30 1.29 66 V H H 111.68 1.84 8.39 11.42 101.50 49.39 -88.42 -6.83 46.04 4.19 49.77 19.71 9.61 18.66 43.41 4.52 0.20 2.43 1.46 67 A C H 91.35 1.35 7.89 10.44 103.58 64.27 -75.97 21.23 63.86 3.05 33.10 25.70 10.43 28.12 29.04 3.85 0.06 1.67 1.13 68 G C C 63.00 0.97 9.29 10.72 102.80 27.15 -3.07 2.64 88.08 0.96 10.96 61.16 2.08 24.57 9.74 1.48 0.00 0.57 0.41 69 S C C 81.69 2.88 10.37 14.78 106.37 82.83 -85.94 51.88 99.92 0.06 0.02 99.82 0.09 0.05 0.01 0.00 0.00 0.03 0.01