# 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 112.18 4.81 10.24 16.69 113.07 -162.25 -90.40 135.88 99.89 0.02 0.08 99.77 0.08 0.08 0.05 0.00 0.00 0.01 0.00 1 S C C 68.90 3.20 9.20 13.96 110.08 -119.63 -77.92 140.21 79.53 0.40 20.07 73.31 0.83 5.92 17.65 1.89 0.00 0.17 0.22 2 K C C 141.83 2.21 9.22 12.77 97.45 -131.36 -71.07 -24.61 57.25 0.78 41.96 38.02 6.88 12.20 36.93 5.20 0.00 0.34 0.42 3 F H H 136.28 2.14 9.07 12.38 94.92 67.50 -67.92 -33.63 37.59 1.10 61.32 22.05 6.22 10.70 50.73 9.25 0.02 0.57 0.46 4 Y H H 136.86 2.37 9.86 13.46 94.12 56.97 -68.02 -35.00 27.90 2.03 70.07 15.73 4.53 8.92 57.35 11.52 0.03 1.39 0.54 5 K H H 120.95 2.04 10.65 13.68 93.44 56.00 -66.94 -37.62 18.70 1.63 79.68 9.81 3.35 6.65 66.54 12.09 0.04 1.11 0.41 6 I H H 100.50 2.25 10.82 14.08 93.14 52.58 -67.34 -38.10 8.29 0.43 91.28 3.02 1.38 3.95 75.64 15.61 0.02 0.29 0.09 7 W H H 151.59 2.87 10.26 14.57 93.60 52.11 -69.54 -31.99 6.40 0.16 93.44 1.61 0.81 3.67 75.75 17.99 0.01 0.12 0.03 8 M H H 121.56 2.17 10.93 14.02 94.66 53.19 -72.94 -29.54 13.92 0.19 85.89 1.97 1.43 9.58 68.18 18.60 0.04 0.12 0.07 9 I H H 121.40 1.50 12.01 13.61 97.67 43.79 -83.70 -28.97 28.05 0.35 71.60 3.25 3.68 20.93 60.54 11.08 0.14 0.18 0.19 10 F C H 110.91 4.80 9.45 16.03 113.91 54.31 -100.97 127.46 58.88 1.60 39.52 17.03 29.39 13.91 35.33 2.50 0.16 0.44 1.24 11 D C C 75.82 3.78 11.72 17.15 108.81 -145.64 -87.36 114.40 96.05 0.17 3.77 91.14 3.71 0.95 3.83 0.22 0.00 0.06 0.09 12 P H H 80.99 4.49 10.75 17.36 93.35 -153.40 -61.90 -33.94 14.45 0.08 85.47 4.23 1.63 8.49 81.46 4.10 0.01 0.03 0.04 13 R H H 152.30 1.63 13.32 15.18 91.69 54.85 -65.35 -38.67 7.92 0.05 92.03 1.17 0.76 5.77 88.20 4.02 0.02 0.02 0.02 14 R H H 131.15 2.27 13.68 16.42 92.72 49.59 -66.62 -39.03 5.35 0.07 94.58 1.44 0.61 3.16 89.67 5.05 0.01 0.04 0.02 15 V H H 68.44 4.13 12.33 18.13 92.19 50.62 -65.08 -41.51 3.42 0.07 96.51 1.29 0.44 1.62 95.29 1.28 0.01 0.03 0.03 16 F H H 119.33 2.31 14.34 17.12 92.06 49.96 -65.25 -40.98 1.63 0.02 98.35 0.68 0.19 0.65 98.19 0.28 0.00 0.01 0.01 17 V H H 86.70 1.75 15.06 16.48 91.94 49.35 -64.61 -41.99 0.63 0.00 99.36 0.21 0.05 0.28 99.32 0.14 0.00 0.00 0.00 18 A H H 55.48 2.48 14.57 17.63 91.84 49.90 -64.10 -41.35 0.37 0.00 99.63 0.08 0.02 0.20 99.59 0.11 0.00 0.00 0.00 19 Q H H 97.22 2.67 14.72 18.00 91.91 49.71 -64.96 -40.23 0.38 0.00 99.62 0.05 0.02 0.23 99.61 0.08 0.00 0.00 0.00 20 G H H 36.14 2.76 14.36 17.97 92.00 51.03 -64.01 -40.75 0.58 0.00 99.42 0.07 0.03 0.38 99.45 0.08 0.00 0.00 0.00 21 V H H 86.85 1.71 15.50 16.69 91.91 50.11 -64.70 -41.57 0.38 0.00 99.62 0.04 0.01 0.25 99.65 0.05 0.00 0.00 0.00 22 F H H 118.00 1.98 15.08 16.96 92.08 49.87 -64.78 -41.28 0.21 0.00 99.79 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 23 L H H 90.33 2.95 14.26 18.08 91.95 50.36 -64.71 -41.14 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 24 F H H 122.04 2.26 14.95 17.47 91.89 50.25 -64.70 -41.09 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 25 L H H 96.51 1.58 16.01 16.77 91.80 49.92 -64.55 -41.68 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 26 L H H 89.07 2.32 15.71 18.09 91.91 49.42 -64.67 -41.62 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 27 A H H 47.25 4.36 13.84 19.94 91.54 51.04 -62.84 -41.60 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 28 V H H 84.52 2.27 15.96 18.23 91.77 50.32 -64.70 -41.21 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 29 M H H 106.45 1.61 16.42 17.13 91.89 50.14 -64.59 -41.59 0.10 0.00 99.90 0.00 0.00 0.06 99.91 0.01 0.00 0.00 0.00 30 I H H 85.62 3.38 15.16 19.41 91.91 49.24 -64.68 -42.14 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.03 0.00 0.00 0.00 31 H H H 89.60 5.34 13.85 20.73 91.77 50.72 -64.07 -40.81 0.18 0.00 99.82 0.01 0.00 0.13 99.78 0.08 0.00 0.00 0.00 32 L H H 98.77 1.81 15.61 17.08 91.68 50.69 -64.43 -41.07 0.27 0.00 99.73 0.01 0.01 0.21 99.58 0.19 0.00 0.00 0.00 33 I H H 100.32 1.79 15.38 16.79 92.03 49.56 -65.21 -41.11 0.60 0.00 99.40 0.03 0.03 0.51 98.94 0.50 0.00 0.00 0.00 34 L H H 72.31 6.04 12.29 20.10 92.40 49.81 -66.17 -38.48 2.84 0.00 97.16 0.13 0.13 2.55 95.97 1.23 0.00 0.00 0.00 35 L H H 97.29 4.46 12.12 18.22 92.37 54.37 -71.33 -23.50 22.33 0.04 77.63 0.86 1.00 20.48 75.84 1.75 0.02 0.02 0.03 36 S C T 86.11 1.30 13.45 14.54 94.69 56.85 -86.14 -6.11 64.85 0.27 34.88 5.20 5.55 51.90 34.65 2.39 0.02 0.10 0.18 37 T C S 57.66 6.24 8.01 16.44 117.08 95.37 -87.04 139.44 96.72 0.93 2.35 33.89 59.88 2.78 1.83 0.55 0.00 0.26 0.81 38 P C T 119.84 1.22 11.95 13.59 95.12 -133.94 -68.17 -18.28 78.97 0.42 20.60 14.04 17.97 47.59 6.30 13.53 0.00 0.19 0.37 39 S C T 84.46 2.02 11.87 14.78 97.95 67.31 -79.53 -11.15 76.78 0.67 22.55 14.80 15.08 47.47 7.70 14.12 0.01 0.31 0.52 40 Y C C 101.71 8.68 8.76 18.63 109.50 67.07 -95.19 89.73 71.93 2.85 25.23 38.41 18.05 16.04 10.36 13.93 0.02 1.19 1.99 41 N C C 75.04 4.89 12.33 18.98 111.39 128.87 -97.40 111.29 80.72 1.77 17.51 67.47 7.13 5.95 13.49 4.09 0.00 0.79 1.08 42 W H H 153.51 4.67 11.71 18.14 93.87 -152.25 -65.18 -32.74 29.65 0.48 69.86 8.18 5.59 16.10 57.27 12.25 0.09 0.25 0.27 43 L H H 112.28 1.75 13.64 15.58 92.88 54.67 -67.58 -35.76 25.74 0.37 73.90 5.83 4.05 15.51 61.95 12.19 0.09 0.20 0.19 44 E H H 105.16 3.23 13.61 17.85 93.75 50.03 -69.99 -34.33 17.53 0.35 82.12 7.27 3.09 7.52 69.68 12.06 0.03 0.21 0.13 45 I H H 72.33 5.93 11.68 19.44 93.61 55.32 -66.12 -40.52 12.73 0.21 87.06 6.75 2.41 4.49 81.40 4.75 0.01 0.11 0.07 46 S H H 59.36 2.65 14.19 17.57 92.88 52.14 -65.27 -38.85 11.24 0.20 88.57 6.21 1.60 4.04 83.74 4.21 0.01 0.12 0.06 47 A H H 60.88 2.32 13.54 16.44 93.25 51.82 -66.15 -37.95 9.82 0.18 90.00 4.53 1.57 4.21 84.75 4.76 0.01 0.11 0.06 48 A H H 53.04 4.07 11.50 17.36 93.43 53.03 -67.24 -37.30 11.73 0.24 88.03 5.32 1.89 5.07 82.57 4.90 0.02 0.15 0.08 49 K H H 127.34 2.65 11.73 15.53 94.44 53.54 -68.95 -33.03 18.30 0.47 81.23 8.56 2.88 7.84 75.29 4.95 0.03 0.28 0.17 50 Y H H 161.27 1.78 10.29 12.94 96.25 56.15 -75.22 -24.65 28.96 0.71 70.33 11.75 4.59 13.98 64.37 4.57 0.05 0.38 0.31 51 N H H 117.76 1.76 8.83 11.82 99.89 62.40 -83.05 -4.64 48.63 1.26 50.11 20.64 7.18 22.29 44.82 3.84 0.04 0.61 0.58 52 R C C 174.04 1.57 7.99 10.96 105.11 85.00 -84.67 32.23 73.43 1.70 24.87 52.28 2.22 17.86 23.60 2.32 0.00 0.85 0.87 53 V C C 107.16 3.13 9.55 14.43 108.69 105.25 -89.76 96.33 99.93 0.06 0.02 99.85 0.07 0.04 0.01 0.00 0.00 0.02 0.00