# 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 A C C 72.08 6.05 11.47 18.94 116.47 -163.48 -95.13 137.03 99.92 0.06 0.02 99.85 0.06 0.04 0.00 0.00 0.00 0.03 0.01 1 S C C 76.74 4.12 9.89 15.84 114.21 -137.63 -91.89 136.09 96.84 1.97 1.19 94.78 0.78 1.77 0.50 0.33 0.00 1.00 0.84 2 V C C 116.27 2.54 10.28 14.39 109.70 -151.39 -92.74 104.42 94.92 3.64 1.44 60.63 31.49 3.11 0.65 0.69 0.00 1.80 1.65 3 V C C 76.33 7.56 8.31 17.36 117.49 65.64 -105.48 129.00 95.56 3.46 0.97 53.12 41.96 1.09 0.55 0.34 0.00 1.63 1.30 4 P C C 83.41 3.47 12.93 17.75 112.31 -113.03 -68.50 144.53 94.41 3.02 2.57 88.24 4.45 2.00 1.04 1.24 0.00 1.68 1.36 5 L C C 98.82 8.34 8.63 17.87 105.31 -138.34 -82.48 53.48 76.81 3.61 19.59 54.55 10.23 10.35 3.67 17.29 0.00 1.68 2.24 6 K C T 141.49 2.99 11.86 16.35 110.00 93.54 -89.01 119.48 75.66 1.73 22.61 19.19 20.89 35.48 2.66 19.99 0.02 0.82 0.95 7 E C T 140.10 2.85 12.21 16.27 107.65 -108.46 -87.85 103.91 74.51 1.55 23.93 24.96 16.89 32.02 2.48 22.15 0.01 0.79 0.70 8 K C C 93.86 7.92 10.02 19.42 119.95 136.70 -99.06 146.03 97.14 0.98 1.88 54.05 41.86 1.35 0.69 0.93 0.00 0.39 0.73 9 K C C 113.56 3.31 15.57 19.48 115.68 -110.69 -82.30 142.82 84.19 14.75 1.06 79.12 2.23 0.38 0.49 0.37 0.00 2.36 15.05 10 L H G 67.51 14.42 9.87 24.13 92.70 -117.17 -59.52 -35.46 11.51 0.21 88.28 1.92 1.45 6.62 1.13 88.72 0.00 0.15 0.02 11 L H G 110.63 4.68 14.37 20.13 90.92 61.21 -69.97 -17.20 10.75 0.08 89.17 0.53 0.79 7.64 0.75 90.23 0.00 0.05 0.00 12 E H G 130.78 2.20 16.32 18.67 94.74 55.40 -89.20 -2.58 10.61 0.09 89.30 0.97 1.09 6.43 0.74 90.70 0.00 0.06 0.01 13 V C C 37.00 15.09 7.09 21.68 118.03 98.24 -85.31 139.22 98.18 0.58 1.24 71.20 26.32 0.60 0.46 0.61 0.00 0.14 0.67 14 K C C 136.53 1.86 16.07 18.00 120.68 -142.70 -96.05 151.44 93.35 5.69 0.96 88.71 2.24 0.49 0.48 0.27 0.00 0.89 6.92 15 L C T 119.11 5.01 11.93 18.75 106.99 -86.14 -58.81 131.92 80.07 0.66 19.27 2.12 5.99 71.75 1.40 17.91 0.00 0.33 0.50 16 G C T 55.29 2.31 14.94 17.92 95.35 21.29 82.62 -3.62 81.17 0.22 18.61 2.07 5.31 73.05 1.24 18.08 0.00 0.12 0.14 17 E C C 91.39 6.53 14.02 22.05 96.74 94.64 -83.43 -14.51 75.30 1.52 23.18 51.27 13.80 9.19 4.27 19.48 0.00 0.52 1.48 18 L C H 41.56 14.92 10.77 25.56 95.85 81.08 -67.39 -36.06 50.83 0.34 48.83 42.52 5.62 3.74 44.29 3.49 0.00 0.11 0.22 19 P H H 72.97 4.46 15.91 21.48 92.37 56.19 -62.43 -37.26 14.84 0.10 85.05 5.04 1.59 7.82 69.48 15.95 0.01 0.06 0.04 20 S H H 62.64 2.58 16.62 19.32 91.97 52.76 -65.84 -36.06 6.05 0.05 93.90 1.17 0.60 3.77 76.02 18.39 0.01 0.03 0.01 21 W H H 73.26 10.97 13.05 25.23 92.58 52.99 -66.10 -38.89 2.83 0.03 97.14 0.57 0.30 1.73 79.77 17.60 0.00 0.02 0.00 22 I H H 60.79 11.96 12.69 25.32 91.87 52.17 -65.44 -35.93 4.65 0.05 95.29 0.66 0.46 3.19 78.63 16.99 0.01 0.04 0.01 23 L H H 116.55 2.30 15.29 18.19 91.44 55.91 -70.39 -22.85 18.39 0.10 81.51 1.34 1.38 14.45 67.81 14.84 0.06 0.06 0.06 24 M C H 120.82 3.15 14.16 18.13 96.21 53.57 -86.92 -6.66 50.03 0.53 49.44 6.94 6.38 35.77 38.23 11.89 0.14 0.24 0.41 25 R C T 107.29 10.69 10.61 21.89 116.09 95.92 -86.16 139.45 78.79 1.69 19.53 23.61 24.66 31.43 11.63 6.78 0.03 0.67 1.19 26 D C C 95.39 4.33 15.72 21.27 107.44 -127.51 -88.71 108.03 93.03 1.20 5.77 56.58 12.59 24.08 1.83 3.62 0.00 0.63 0.67 27 F C C 92.20 13.02 11.96 25.18 105.59 -165.30 -95.81 61.35 95.28 2.41 2.30 80.03 12.14 2.53 1.06 1.16 0.00 0.85 2.24 28 T C C 62.31 4.19 18.42 23.27 123.71 135.55 -95.55 159.23 98.15 0.54 1.31 72.42 24.86 0.56 1.34 0.14 0.00 0.11 0.56 29 P H H 75.13 9.68 13.24 23.95 91.10 -106.18 -58.41 -35.60 14.47 0.04 85.49 0.98 1.47 12.19 82.78 2.50 0.04 0.01 0.03 30 S H H 79.65 2.16 17.70 20.07 91.75 54.69 -65.80 -36.14 10.83 0.03 89.13 0.78 0.89 9.17 86.31 2.78 0.03 0.01 0.02 31 G H H 20.60 7.64 15.66 25.25 92.34 52.89 -64.36 -41.96 5.86 0.06 94.08 1.81 0.90 3.20 91.28 2.74 0.01 0.03 0.02 32 I H H 46.44 13.51 16.37 30.21 92.37 48.38 -65.25 -42.20 2.29 0.03 97.68 0.72 0.29 1.19 97.06 0.71 0.00 0.01 0.01 33 A H H 40.53 7.96 18.80 27.76 91.73 50.03 -63.42 -42.04 1.05 0.01 98.94 0.22 0.10 0.60 98.75 0.32 0.00 0.00 0.00 34 G H H 30.52 3.77 20.64 24.74 91.45 50.78 -63.36 -42.31 1.28 0.00 98.72 0.19 0.08 0.83 98.57 0.32 0.00 0.00 0.00 35 A H H 32.90 8.96 18.53 28.78 91.89 50.39 -64.47 -42.06 1.04 0.00 98.96 0.13 0.06 0.68 98.86 0.27 0.00 0.00 0.00 36 F H H 67.50 12.28 18.23 30.76 91.97 49.58 -64.64 -41.64 0.92 0.00 99.08 0.13 0.06 0.56 99.03 0.21 0.00 0.00 0.00 37 Q H H 88.99 5.52 20.31 26.28 91.75 50.54 -64.20 -41.36 0.86 0.00 99.14 0.11 0.04 0.54 99.12 0.19 0.00 0.00 0.00 38 R H H 127.27 2.71 21.52 23.57 91.63 49.71 -64.79 -41.34 0.79 0.00 99.21 0.07 0.04 0.55 99.15 0.19 0.00 0.00 0.00 39 G H H 16.20 10.02 16.90 28.49 91.91 50.78 -63.94 -41.56 1.08 0.00 98.91 0.09 0.05 0.77 98.91 0.18 0.00 0.00 0.00 40 Y H H 76.71 10.82 17.17 28.74 91.79 50.54 -63.85 -41.87 0.76 0.00 99.23 0.08 0.04 0.51 99.23 0.14 0.00 0.00 0.00 41 Y H H 120.67 3.43 19.16 22.70 91.75 49.65 -64.45 -41.58 0.39 0.00 99.61 0.04 0.02 0.24 99.59 0.10 0.00 0.00 0.00 42 R H H 116.04 3.14 18.70 21.76 91.99 49.40 -65.16 -41.53 0.35 0.00 99.65 0.03 0.01 0.25 99.58 0.14 0.00 0.00 0.00 43 Y H H 60.97 10.13 14.71 26.21 92.79 47.73 -65.92 -42.07 0.41 0.00 99.59 0.03 0.02 0.30 99.44 0.20 0.00 0.00 0.00 44 Y H H 86.31 9.67 13.53 24.29 93.03 46.76 -67.62 -39.52 0.84 0.00 99.16 0.06 0.05 0.67 98.83 0.39 0.00 0.00 0.00 45 N H H 104.31 2.51 15.46 18.31 95.31 43.48 -75.83 -33.16 4.38 0.00 95.61 0.10 0.17 4.17 94.97 0.56 0.01 0.00 0.00 46 K H H 135.66 2.03 15.78 17.74 101.57 34.31 -92.81 -33.34 19.46 0.02 80.52 0.22 0.73 19.27 78.97 0.76 0.03 0.00 0.01 47 Y C H 121.49 5.68 13.90 20.73 106.82 23.20 -112.17 -25.75 52.15 0.20 47.64 1.47 5.56 43.32 48.23 1.12 0.09 0.06 0.16 48 V C C 51.72 11.67 11.43 23.75 114.16 33.20 -113.60 96.68 79.33 5.76 14.92 35.13 27.88 16.33 12.09 2.95 0.07 2.22 3.33 49 N C C 99.04 4.11 16.88 21.98 104.55 -146.46 -79.03 76.52 89.83 2.77 7.40 78.72 5.54 5.34 5.63 1.86 0.00 1.62 1.28 50 V C C 50.38 13.73 10.16 24.16 109.39 151.25 -88.11 108.30 79.46 2.58 17.96 61.70 7.69 10.08 9.82 7.89 0.00 1.40 1.41 51 K C C 132.44 3.70 14.99 19.96 107.49 -131.18 -76.57 111.26 79.71 2.09 18.20 45.02 15.06 20.01 8.33 9.36 0.01 0.97 1.25 52 K C T 137.98 3.97 13.16 18.65 107.50 -94.95 -80.11 110.49 81.90 1.47 16.62 21.96 23.09 37.60 6.62 9.06 0.01 0.67 0.99 53 G C T 52.10 4.04 13.44 18.69 101.56 14.63 83.78 0.92 91.32 0.94 7.74 28.95 31.32 31.72 2.76 4.28 0.00 0.40 0.57 54 S C S 52.13 4.30 13.96 19.51 126.87 111.60 -99.60 168.83 83.21 2.46 14.33 29.36 50.15 3.29 13.82 1.00 0.01 0.52 1.86 55 I H H 114.86 4.49 13.85 19.78 92.60 -96.70 -61.60 -35.46 6.89 0.04 93.07 1.10 1.50 4.16 92.43 0.76 0.02 0.01 0.02 56 A H H 59.34 4.35 16.27 21.36 92.03 54.02 -64.29 -39.51 3.56 0.01 96.42 0.58 0.38 2.29 96.05 0.67 0.00 0.01 0.01 57 G H H 14.78 9.59 14.57 26.29 91.68 51.95 -63.27 -42.19 1.07 0.00 98.93 0.29 0.11 0.55 98.62 0.43 0.00 0.00 0.00 58 L H H 64.21 9.29 16.98 27.18 92.12 50.16 -64.75 -41.24 0.27 0.00 99.73 0.06 0.02 0.13 99.69 0.10 0.00 0.00 0.00 59 S H H 48.63 6.71 19.12 26.39 92.06 50.60 -64.61 -40.66 0.18 0.00 99.82 0.03 0.01 0.10 99.81 0.05 0.00 0.00 0.00 60 M H H 83.21 7.04 19.83 27.20 92.21 50.44 -65.30 -40.76 0.13 0.00 99.87 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 61 V H H 50.40 10.53 18.89 30.04 92.00 49.92 -64.38 -42.73 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 62 L H H 67.63 8.68 20.50 29.68 91.85 49.83 -64.19 -41.80 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 63 A H H 43.27 6.89 20.25 27.76 91.76 50.71 -63.82 -41.99 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 64 A H H 37.82 8.09 19.88 28.88 91.74 50.87 -63.99 -42.01 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 65 Y H H 85.66 9.25 20.34 30.02 91.97 50.10 -65.00 -41.73 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 66 V H H 56.19 8.53 19.70 29.04 91.78 50.84 -64.09 -42.70 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 67 F H H 93.12 6.68 20.53 27.54 91.70 49.49 -64.13 -42.37 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 68 L H H 67.49 7.58 19.80 27.85 91.87 48.78 -64.87 -41.41 0.15 0.00 99.85 0.01 0.00 0.11 99.83 0.04 0.00 0.00 0.00 69 N H H 60.79 7.85 18.85 27.51 92.20 49.80 -64.99 -40.71 0.69 0.00 99.31 0.03 0.03 0.57 99.23 0.14 0.00 0.00 0.00 70 Y H H 95.70 7.04 18.71 26.52 92.24 49.94 -65.05 -41.10 1.35 0.00 98.64 0.07 0.07 1.14 98.38 0.35 0.00 0.00 0.00 71 C H H 53.50 6.13 18.48 25.17 91.96 50.70 -64.20 -41.86 1.81 0.00 98.19 0.14 0.12 1.43 97.65 0.65 0.00 0.00 0.00 72 R H H 107.15 4.92 18.88 24.02 92.16 49.81 -65.11 -40.74 4.22 0.01 95.77 0.25 0.26 3.55 94.81 1.12 0.00 0.00 0.00 73 S H H 43.29 6.06 16.66 24.08 92.31 49.96 -66.04 -39.56 10.86 0.02 89.12 0.80 0.65 9.04 88.31 1.18 0.01 0.01 0.01 74 Y H H 99.29 5.90 16.30 23.23 92.46 51.76 -65.63 -40.43 5.57 0.02 94.41 1.37 0.82 3.18 93.50 1.12 0.00 0.01 0.01 75 K H H 112.08 3.32 17.51 20.79 91.98 51.93 -64.31 -40.87 1.59 0.00 98.41 0.29 0.17 0.98 97.26 1.30 0.00 0.00 0.00 76 E H H 95.05 3.41 16.76 20.62 92.17 50.33 -64.95 -41.35 1.47 0.00 98.52 0.21 0.13 1.01 97.32 1.34 0.00 0.00 0.00 77 L H H 72.14 4.45 15.39 21.18 92.20 49.46 -65.13 -41.32 1.66 0.01 98.34 0.27 0.16 1.06 97.29 1.22 0.00 0.00 0.00 78 K H H 104.96 3.36 15.77 19.63 91.77 50.31 -64.05 -41.07 2.30 0.01 97.69 0.38 0.21 1.47 96.92 1.01 0.00 0.00 0.00 79 H H H 102.21 2.40 15.17 17.78 92.10 49.52 -65.27 -40.51 3.64 0.01 96.35 0.58 0.29 2.44 95.47 1.21 0.00 0.00 0.00 80 E H H 95.29 2.57 14.42 17.55 91.99 50.77 -64.71 -40.60 3.37 0.01 96.62 0.67 0.35 2.06 95.22 1.69 0.00 0.00 0.00 81 R H H 119.90 2.71 13.11 16.67 91.96 50.86 -64.31 -40.40 3.91 0.01 96.08 0.74 0.37 2.46 93.34 3.07 0.00 0.01 0.00 82 L H H 93.08 2.48 11.76 15.20 92.14 50.44 -65.70 -38.68 4.75 0.01 95.23 0.73 0.38 3.15 89.47 6.26 0.00 0.01 0.00 83 R H H 151.49 1.55 11.00 13.10 92.71 51.37 -67.05 -36.17 8.68 0.02 91.30 1.06 0.69 6.13 81.74 10.34 0.01 0.01 0.01 84 K H H 146.12 1.33 10.52 12.28 94.22 51.20 -71.10 -30.90 24.50 0.07 75.43 2.23 1.78 19.16 66.85 9.86 0.03 0.03 0.05 85 Y C H 163.29 1.80 9.10 11.86 99.56 43.75 -92.62 -6.30 50.27 0.23 49.51 16.64 2.00 31.00 45.14 4.95 0.00 0.08 0.18 86 H C C 126.60 3.84 9.40 14.94 105.87 79.57 -86.03 77.50 99.94 0.03 0.03 99.82 0.08 0.07 0.02 0.00 0.00 0.01 0.00