# 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 126.34 4.17 9.80 15.69 112.73 -151.92 -92.14 126.60 99.94 0.05 0.01 99.86 0.08 0.03 0.00 0.00 0.00 0.02 0.01 1 G C C 56.27 2.06 8.66 12.17 117.31 -134.53 -89.52 165.15 97.82 1.62 0.56 93.35 1.01 3.71 0.17 0.23 0.00 0.95 0.57 2 K C C 167.21 1.20 7.27 9.78 113.38 -100.81 -88.24 135.09 94.90 4.21 0.89 64.92 24.20 5.80 0.24 0.70 0.00 2.37 1.76 3 Q C C 143.77 1.26 7.20 9.95 116.80 -131.37 -94.30 133.98 95.04 4.55 0.40 70.43 24.22 0.86 0.19 0.22 0.00 2.83 1.25 4 P C C 110.46 1.96 6.83 10.78 113.40 -109.13 -70.38 142.34 93.87 4.89 1.24 85.18 7.20 1.73 0.58 0.56 0.00 3.58 1.17 5 V C C 116.84 1.75 6.48 10.13 117.95 -140.71 -101.21 134.66 88.16 9.52 2.32 80.34 6.07 1.72 1.44 0.87 0.00 6.59 2.97 6 K C C 166.77 1.02 7.16 9.48 113.29 -132.29 -89.52 126.46 84.95 12.10 2.95 78.73 4.23 1.82 1.86 1.07 0.00 8.61 3.67 7 L C C 133.21 1.52 5.57 8.78 113.20 -166.06 -102.41 120.04 86.16 5.25 8.58 77.00 5.28 4.13 5.61 2.75 0.00 3.83 1.39 8 K C C 175.54 0.59 7.30 8.05 106.72 -145.07 -85.97 47.80 83.09 2.54 14.37 60.62 11.09 11.32 10.11 4.40 0.00 1.72 0.74 9 A C C 93.33 1.12 6.57 8.82 110.68 52.04 -94.85 113.98 81.64 3.98 14.39 59.36 12.20 9.95 10.26 4.33 0.01 3.01 0.89 10 V C C 116.52 1.65 6.26 9.62 116.38 -150.17 -102.82 129.39 77.57 12.09 10.34 67.24 5.80 3.65 8.34 2.49 0.01 10.89 1.59 11 V C C 120.59 1.48 7.21 10.38 117.33 -160.02 -108.52 132.09 71.95 21.33 6.72 64.91 3.81 2.12 5.85 1.38 0.01 19.69 2.22 12 Y C C 168.01 2.13 7.61 11.77 120.31 -164.54 -111.85 138.15 69.51 24.61 5.88 60.99 4.47 2.64 4.88 1.48 0.02 23.43 2.10 13 A C C 86.82 1.92 8.99 12.74 119.80 -159.80 -111.49 140.17 73.97 22.43 3.60 64.24 6.16 2.48 2.80 1.10 0.01 20.84 2.38 14 L C C 97.69 5.18 7.39 14.53 119.20 -152.53 -101.04 142.26 84.67 14.00 1.33 73.84 9.97 0.88 1.10 0.44 0.00 9.90 3.88 15 S C C 58.43 2.87 10.78 15.12 116.91 -108.90 -71.22 154.55 99.21 0.41 0.38 97.00 2.11 0.23 0.30 0.05 0.00 0.19 0.12 16 P H H 103.43 1.99 9.90 13.17 92.74 -109.13 -58.74 -34.44 19.31 0.15 80.55 3.13 2.33 12.92 66.66 14.76 0.04 0.08 0.07 17 F H H 153.92 1.07 10.82 11.86 93.31 54.44 -68.04 -32.98 16.96 0.18 82.86 2.16 1.78 11.81 66.35 17.65 0.07 0.10 0.08 18 Q H H 98.25 3.28 10.47 15.21 95.00 51.17 -74.92 -26.94 13.55 0.35 86.10 3.69 1.99 7.22 66.31 20.41 0.05 0.22 0.10 19 Q H H 88.51 4.88 9.46 16.21 95.05 63.05 -68.30 -35.97 15.85 0.54 83.60 6.75 3.09 6.86 72.45 10.29 0.05 0.31 0.20 20 K H H 144.38 1.48 12.31 14.03 94.10 57.68 -67.16 -34.26 25.63 0.71 73.66 6.68 4.17 15.29 62.00 11.03 0.11 0.42 0.30 21 I H H 114.74 1.62 11.68 13.55 94.15 51.41 -70.66 -34.82 29.28 1.13 69.58 6.91 4.74 18.36 58.38 10.24 0.20 0.70 0.47 22 M H H 105.47 3.34 10.46 15.18 97.67 47.61 -82.61 -17.93 38.18 1.95 59.87 17.24 9.44 14.14 48.75 8.39 0.13 0.94 0.96 23 T H H 78.89 3.49 10.70 15.77 99.39 82.81 -68.14 -32.14 42.56 1.12 56.31 13.88 5.86 23.04 41.99 13.98 0.08 0.63 0.55 24 G H H 45.31 2.53 12.15 15.48 96.73 45.99 -55.44 -30.72 43.33 0.59 56.08 8.16 5.82 28.07 35.49 21.69 0.10 0.30 0.37 25 L H H 108.18 2.13 10.72 13.78 93.97 60.32 -67.82 -35.14 35.42 0.82 63.76 8.19 5.76 20.08 37.88 27.14 0.11 0.43 0.42 26 W H H 163.57 2.67 10.40 14.28 95.93 50.05 -78.45 -19.10 31.78 2.47 65.75 9.75 5.56 15.84 36.86 29.46 0.14 1.37 1.01 27 K H T 139.29 2.07 11.72 14.69 95.61 68.96 -70.39 -30.05 47.20 1.38 51.42 7.18 7.07 30.92 30.25 22.94 0.17 0.79 0.69 28 D C T 97.76 2.41 11.66 14.95 99.39 46.79 -91.92 7.25 57.70 0.50 41.80 10.45 7.24 38.80 25.30 17.55 0.04 0.23 0.39 29 L H H 85.37 4.35 10.13 16.33 96.69 102.62 -67.67 -37.23 34.06 0.30 65.64 21.68 7.52 5.64 61.13 3.77 0.00 0.11 0.14 30 P H H 82.43 2.03 12.70 15.13 93.48 55.08 -65.37 -38.13 21.47 0.24 78.29 12.53 2.73 7.00 73.91 3.62 0.01 0.12 0.10 31 E H H 113.47 2.11 12.89 15.50 93.46 52.31 -66.77 -38.59 10.16 0.16 89.68 4.36 1.65 4.72 85.35 3.76 0.01 0.09 0.06 32 K H H 114.74 2.52 12.81 16.18 93.30 52.17 -66.72 -39.43 6.83 0.13 93.05 3.02 1.13 3.13 89.80 2.79 0.01 0.07 0.04 33 I H H 95.57 2.24 13.20 15.94 92.75 50.32 -65.59 -40.87 4.74 0.11 95.14 1.86 0.73 2.42 92.84 2.03 0.02 0.06 0.03 34 H H H 114.12 1.93 13.76 15.87 92.38 50.48 -65.63 -40.31 3.88 0.09 96.03 1.31 0.56 2.14 93.96 1.94 0.01 0.05 0.02 35 H H H 107.92 2.19 13.67 16.28 92.83 49.69 -65.92 -40.42 5.73 0.11 94.16 1.49 0.79 3.58 91.69 2.32 0.03 0.06 0.04 36 K H H 112.07 2.43 13.34 16.40 93.14 49.98 -66.71 -39.08 9.57 0.13 90.30 1.94 1.23 6.54 87.82 2.31 0.05 0.07 0.06 37 V H H 81.86 2.74 12.52 16.17 93.37 48.95 -68.08 -39.17 13.29 0.22 86.49 3.52 2.26 8.10 83.29 2.56 0.06 0.11 0.11 38 S H H 67.66 2.19 13.29 15.89 93.68 52.42 -67.60 -37.26 14.85 0.16 84.99 3.12 1.99 9.77 78.77 6.13 0.06 0.09 0.08 39 E H H 130.18 1.64 13.72 15.32 94.69 48.37 -74.22 -25.76 27.08 0.10 72.82 1.62 2.13 22.82 67.01 6.24 0.08 0.05 0.07 40 N H H 81.94 4.39 11.24 17.23 100.83 46.62 -97.89 2.03 40.45 0.13 59.42 4.31 3.03 32.23 54.69 5.55 0.03 0.05 0.10 41 W H H 147.30 3.34 12.03 16.87 93.69 93.94 -62.85 -40.61 9.64 0.08 90.28 3.26 1.62 5.12 85.80 4.10 0.01 0.04 0.03 42 I H H 110.65 1.47 14.72 15.56 92.75 50.78 -65.34 -40.62 5.83 0.04 94.12 1.04 0.62 4.06 89.14 5.08 0.01 0.02 0.02 43 S H H 58.46 2.52 14.30 17.41 92.37 49.30 -65.88 -40.21 4.99 0.04 94.97 0.91 0.49 3.40 89.74 5.41 0.01 0.02 0.01 44 A H H 50.79 3.70 13.14 18.36 92.16 51.25 -64.69 -40.96 3.04 0.02 96.94 0.66 0.35 1.86 93.88 3.23 0.01 0.01 0.01 45 T H H 74.52 2.51 14.33 17.33 92.27 50.51 -65.28 -40.57 1.89 0.01 98.11 0.24 0.15 1.33 94.45 3.82 0.00 0.01 0.00 46 L H H 104.09 1.70 15.05 16.39 92.37 50.25 -65.94 -39.51 3.11 0.01 96.89 0.14 0.13 2.79 91.90 5.03 0.00 0.00 0.00 47 L H H 100.57 2.24 14.66 17.13 93.10 47.77 -70.09 -36.65 13.01 0.01 86.97 0.23 0.39 13.34 81.24 4.75 0.02 0.00 0.01 48 V H H 81.75 3.14 14.36 18.26 93.91 48.57 -71.08 -36.53 11.11 0.02 88.87 0.29 0.56 10.65 86.97 1.49 0.02 0.00 0.01 49 T H H 74.98 2.46 14.73 17.66 92.30 56.09 -63.37 -42.90 1.96 0.00 98.04 0.23 0.17 1.37 96.57 1.65 0.00 0.00 0.00 50 P H H 80.10 1.98 15.64 17.40 92.18 49.60 -64.77 -40.78 1.30 0.00 98.70 0.11 0.06 1.00 96.63 2.18 0.00 0.00 0.00 51 V H H 84.65 2.20 15.72 17.86 92.55 48.85 -65.40 -41.74 0.65 0.00 99.35 0.06 0.03 0.48 97.89 1.54 0.00 0.00 0.00 52 V H H 79.98 2.47 15.75 18.39 92.05 49.60 -64.46 -41.81 0.25 0.00 99.75 0.03 0.02 0.15 99.71 0.09 0.00 0.00 0.00 53 G H H 35.05 2.70 15.20 18.50 91.67 50.61 -63.38 -42.19 0.31 0.00 99.69 0.03 0.01 0.18 99.71 0.06 0.00 0.00 0.00 54 T H H 75.05 2.10 16.04 17.96 91.81 49.42 -64.65 -41.57 0.20 0.00 99.80 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 55 Y H H 127.28 2.28 16.05 18.36 92.08 49.61 -64.46 -41.70 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 56 W H H 133.90 2.60 15.92 18.69 91.99 49.63 -64.52 -42.06 0.18 0.00 99.82 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 57 Y H H 124.57 2.08 16.07 17.91 91.96 49.62 -64.22 -41.44 0.24 0.00 99.76 0.02 0.01 0.16 99.77 0.04 0.00 0.00 0.00 58 A H H 52.76 2.48 15.03 18.04 91.75 50.45 -63.77 -41.45 0.25 0.00 99.75 0.02 0.01 0.17 99.77 0.04 0.00 0.00 0.00 59 Q H H 97.25 2.20 15.83 17.98 91.84 50.15 -64.98 -41.11 0.32 0.00 99.68 0.03 0.02 0.21 99.70 0.04 0.00 0.00 0.00 60 Y H H 124.92 2.17 15.51 17.65 92.11 49.70 -64.75 -41.15 0.39 0.00 99.61 0.04 0.02 0.26 99.62 0.06 0.00 0.00 0.00 61 F H H 110.96 2.13 15.14 17.34 91.84 49.83 -64.23 -41.65 0.37 0.00 99.63 0.04 0.02 0.24 99.61 0.09 0.00 0.00 0.00 62 K H H 115.38 1.91 15.10 16.90 92.09 49.94 -64.66 -40.98 0.52 0.00 99.48 0.06 0.03 0.34 99.45 0.12 0.00 0.00 0.00 63 E H H 99.27 2.02 14.48 16.65 91.96 49.92 -64.47 -41.28 0.89 0.00 99.11 0.11 0.06 0.59 99.04 0.21 0.00 0.00 0.00 64 Q H H 101.75 1.73 14.25 15.83 92.04 49.93 -64.63 -40.55 1.72 0.00 98.28 0.24 0.12 1.14 98.02 0.47 0.00 0.00 0.00 65 E H H 97.44 1.92 12.93 15.29 91.76 50.85 -64.50 -40.36 4.18 0.01 95.81 0.72 0.37 2.75 94.70 1.44 0.00 0.00 0.00 66 K H H 119.72 1.51 12.32 13.94 92.00 50.77 -65.02 -39.20 9.03 0.03 90.95 1.46 0.76 6.33 88.45 2.96 0.01 0.01 0.01 67 L H H 101.98 1.57 10.89 12.93 92.30 51.02 -66.93 -37.81 12.78 0.09 87.13 3.64 1.63 7.36 80.51 6.76 0.01 0.04 0.05 68 E H H 131.65 1.27 10.33 11.97 93.37 53.46 -68.43 -33.36 22.63 0.22 77.15 5.22 2.79 14.06 65.74 11.93 0.04 0.11 0.11 69 H H H 145.00 1.16 8.72 10.47 96.15 52.57 -77.78 -17.67 45.02 0.50 54.48 10.46 4.48 29.39 43.63 11.48 0.03 0.23 0.29 70 R C C 169.89 1.43 7.65 10.21 100.18 63.82 -83.80 -2.18 68.62 0.55 30.83 43.92 2.22 23.26 24.35 5.62 0.00 0.25 0.37 71 F C C 151.78 2.27 9.44 13.20 104.74 70.26 -86.92 38.23 99.92 0.04 0.04 99.80 0.07 0.08 0.02 0.00 0.00 0.01 0.00