# 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 S C C 47.79 9.94 17.86 27.85 113.24 97.08 -90.02 133.88 99.25 0.23 0.51 99.06 0.18 0.19 0.40 0.03 0.00 0.10 0.05 1 L H H 74.69 10.28 16.84 27.46 94.69 71.55 -66.53 -33.35 31.31 0.68 68.01 26.38 1.69 3.75 66.30 1.35 0.00 0.33 0.20 2 V H H 52.41 12.37 15.30 28.05 93.02 55.99 -64.87 -40.60 15.88 0.91 83.21 11.28 2.03 3.39 80.37 2.09 0.01 0.63 0.19 3 T H H 63.43 7.96 16.90 25.68 92.43 52.34 -65.27 -40.05 12.64 1.83 85.53 9.27 1.47 2.79 81.71 2.87 0.01 1.65 0.24 4 T H H 67.48 4.62 18.26 23.54 92.78 51.09 -65.82 -40.16 10.45 2.06 87.49 7.46 1.33 2.56 83.43 3.04 0.02 1.91 0.25 5 M H H 66.81 8.56 16.76 26.28 93.03 51.38 -66.33 -40.89 9.35 2.18 88.47 6.34 1.41 2.70 84.34 3.04 0.03 1.85 0.28 6 C H H 29.57 11.67 13.40 26.32 92.94 51.77 -66.12 -40.23 9.57 2.62 87.81 5.76 1.36 3.56 82.93 3.63 0.05 2.36 0.34 7 L H H 93.45 4.65 15.72 21.34 93.19 51.33 -66.55 -40.02 9.83 1.69 88.48 3.97 1.39 5.11 83.99 3.69 0.08 1.48 0.28 8 L H H 108.96 3.30 14.87 18.99 94.45 50.28 -70.38 -32.17 16.79 1.32 81.89 4.61 2.40 10.63 77.66 3.26 0.14 0.92 0.39 9 A C T 54.89 6.93 12.55 20.78 96.82 50.43 -87.57 -2.42 56.90 0.91 42.19 6.15 6.04 42.78 41.35 2.70 0.09 0.46 0.42 10 N C T 131.41 1.76 14.87 17.26 96.11 -124.51 54.64 39.19 93.64 0.69 5.67 19.06 7.34 67.40 4.42 1.14 0.00 0.41 0.23 11 V C C 65.56 9.01 11.09 21.63 122.83 151.03 -108.56 140.60 92.06 5.84 2.10 77.78 10.66 3.49 1.18 0.91 0.00 4.51 1.48 12 T C C 97.09 3.64 16.42 21.47 118.97 -144.36 -104.74 134.57 85.25 13.54 1.21 75.51 7.03 2.28 0.53 0.66 0.00 11.11 2.86 13 F C C 58.22 15.62 10.60 26.26 120.08 -161.36 -109.19 131.88 80.08 19.59 0.33 65.46 13.47 0.87 0.12 0.24 0.00 15.84 3.99 14 P C C 79.19 4.20 18.10 22.75 107.56 -123.55 -72.72 128.01 84.67 14.21 1.12 70.14 9.48 4.11 0.29 1.00 0.00 11.96 3.01 15 C C C 60.95 12.20 9.67 21.87 102.65 -160.90 -87.72 3.24 90.31 6.31 3.39 49.26 17.90 23.17 0.61 3.12 0.00 3.39 2.55 16 A C S 88.85 1.89 14.92 16.98 97.07 82.92 -81.64 -16.46 96.63 1.49 1.89 21.39 50.85 24.36 0.25 1.75 0.00 0.84 0.56 17 Q C S 117.03 3.09 14.80 19.14 121.68 35.10 -123.00 133.15 98.27 1.19 0.54 14.14 82.71 1.69 0.13 0.25 0.00 0.48 0.59 18 P C C 64.41 9.10 13.23 23.46 115.37 -99.11 -67.91 150.21 96.98 0.72 2.30 76.42 16.14 4.47 0.95 1.23 0.00 0.33 0.45 19 P C C 59.86 10.27 14.88 26.02 107.93 -104.65 -67.74 136.40 83.24 2.19 14.57 54.79 12.88 15.33 5.04 9.57 0.00 1.02 1.38 20 I C C 66.24 9.31 16.46 26.72 107.65 -148.89 -90.81 93.65 70.47 9.16 20.37 44.27 12.67 13.26 7.77 12.64 0.04 4.69 4.67 21 C C C 36.61 13.04 14.27 27.88 97.00 113.99 -74.55 -24.38 64.34 8.47 27.19 39.98 10.95 13.69 10.41 16.59 0.04 4.90 3.45 22 Y C C 96.57 10.83 13.64 24.97 98.21 61.90 -80.03 -18.79 67.13 6.07 26.79 26.03 16.59 25.98 11.14 14.24 0.15 3.08 2.78 23 D C C 100.04 3.61 15.67 20.06 97.17 55.96 -87.33 -5.72 75.83 3.32 20.86 30.56 19.98 26.23 8.59 11.32 0.06 1.62 1.65 24 R C S 132.38 6.13 12.44 19.90 107.68 79.35 -90.70 -2.20 85.47 2.06 12.47 28.94 46.83 10.25 7.70 4.00 0.01 0.74 1.53 25 K C C 121.21 3.10 16.13 19.68 111.05 -32.01 -95.75 107.48 98.24 0.49 1.27 86.58 11.03 0.59 1.14 0.18 0.00 0.16 0.31 26 P H H 62.02 11.97 10.90 23.58 93.21 -145.36 -59.01 -38.67 4.14 0.01 95.84 1.52 0.50 1.93 94.91 1.13 0.00 0.00 0.00 27 A H H 73.27 2.16 17.28 19.30 92.01 53.36 -64.37 -39.44 1.70 0.00 98.29 0.31 0.15 1.08 97.46 0.99 0.00 0.00 0.00 28 E H H 101.25 3.15 18.74 21.91 92.08 48.58 -67.12 -39.54 0.69 0.00 99.31 0.21 0.07 0.36 98.53 0.83 0.00 0.00 0.00 29 T H H 15.01 16.29 13.27 30.31 91.87 51.68 -64.03 -43.14 0.38 0.00 99.62 0.12 0.03 0.18 99.45 0.21 0.00 0.00 0.00 30 L H H 62.67 9.37 18.41 28.66 91.70 50.38 -63.83 -41.15 0.33 0.00 99.67 0.08 0.02 0.17 99.64 0.09 0.00 0.00 0.00 31 A H H 60.69 1.99 22.04 22.26 91.45 50.86 -63.87 -41.53 0.54 0.00 99.45 0.08 0.03 0.35 99.43 0.10 0.00 0.00 0.00 32 M H H 54.39 9.55 18.51 29.23 91.95 50.07 -64.71 -41.88 0.62 0.00 99.37 0.07 0.04 0.42 99.26 0.22 0.00 0.00 0.00 33 L H H 25.85 18.51 14.35 32.67 91.65 50.05 -64.59 -39.46 1.15 0.01 98.84 0.14 0.08 0.77 98.31 0.69 0.00 0.00 0.00 34 S H H 64.93 4.47 18.69 23.77 92.06 52.94 -65.42 -37.21 5.21 0.02 94.77 0.41 0.32 4.30 93.29 1.64 0.01 0.01 0.01 35 V H H 99.50 1.93 19.46 20.25 93.49 48.39 -72.88 -32.30 13.72 0.06 86.23 0.71 1.03 12.24 83.83 2.09 0.05 0.02 0.04 36 N H H 39.20 12.49 12.79 26.32 100.36 39.34 -103.91 5.77 39.89 0.32 59.79 7.85 3.06 29.06 54.31 5.27 0.07 0.12 0.25 37 V C T 61.60 13.16 11.73 25.18 93.03 106.33 -62.92 -31.72 80.28 0.18 19.54 2.72 2.39 74.92 15.97 3.76 0.01 0.07 0.17 38 D C T 127.42 0.75 16.71 15.65 95.83 45.91 -93.24 5.60 87.82 0.11 12.08 2.20 4.52 81.99 7.44 3.66 0.01 0.05 0.13 39 N C S 62.79 8.98 9.53 20.17 115.57 110.25 -81.79 134.20 99.44 0.31 0.25 32.39 66.63 0.36 0.17 0.05 0.00 0.06 0.34 40 P C T 114.87 1.36 15.60 16.85 93.28 -125.59 -62.75 -23.46 94.66 0.04 5.30 0.63 2.15 92.79 3.43 0.95 0.00 0.01 0.04 41 G C T 28.65 8.65 13.53 23.74 94.27 53.36 -82.00 -7.12 93.59 0.02 6.39 1.94 1.76 90.52 4.81 0.95 0.00 0.01 0.02 42 Y H H 48.16 16.22 12.07 28.56 92.87 102.96 -60.37 -41.97 1.82 0.00 98.18 0.51 0.18 0.90 97.64 0.77 0.00 0.00 0.00 43 D H H 87.32 3.69 19.24 23.46 91.52 52.19 -63.95 -39.76 0.59 0.00 99.41 0.07 0.04 0.39 99.04 0.46 0.00 0.00 0.00 44 E H H 102.75 3.05 21.50 24.05 91.79 50.53 -65.25 -40.95 0.17 0.00 99.83 0.02 0.01 0.11 99.54 0.32 0.00 0.00 0.00 45 L H H 26.70 16.17 16.34 32.94 92.00 50.38 -64.12 -42.88 0.10 0.00 99.90 0.01 0.00 0.06 99.82 0.10 0.00 0.00 0.00 46 L H H 52.13 12.61 18.62 31.53 91.57 49.81 -63.32 -42.01 0.11 0.00 99.89 0.01 0.00 0.07 99.86 0.05 0.00 0.00 0.00 47 E H H 104.51 2.58 22.36 24.00 91.58 50.06 -63.73 -41.44 0.18 0.00 99.82 0.01 0.00 0.14 99.76 0.08 0.00 0.00 0.00 48 A H H 32.98 7.34 17.92 27.00 91.68 50.88 -64.09 -40.49 0.67 0.00 99.33 0.03 0.02 0.59 99.05 0.31 0.00 0.00 0.00 49 A H H 21.83 16.41 14.47 31.08 91.96 51.81 -65.37 -37.66 3.21 0.00 96.79 0.13 0.13 2.92 95.76 1.06 0.00 0.00 0.00 50 V H H 80.31 7.18 17.24 25.22 92.69 51.45 -72.32 -25.16 21.14 0.07 78.79 1.17 1.41 18.38 77.54 1.40 0.03 0.02 0.05 51 K C H 149.61 1.62 18.12 18.98 97.47 52.66 -91.61 -2.93 55.33 0.75 43.92 8.36 7.09 39.03 42.39 2.30 0.07 0.27 0.49 52 C C C 42.86 14.02 7.42 21.09 114.45 113.26 -76.18 135.42 97.08 1.19 1.73 51.57 43.60 1.93 1.31 0.39 0.00 0.38 0.81 53 P C C 101.49 2.35 13.25 16.47 110.85 -123.24 -73.54 142.86 95.46 1.05 3.49 75.11 9.99 10.49 1.29 1.97 0.00 0.56 0.59 54 G C C 53.10 3.83 9.53 15.25 114.74 -113.95 -92.67 151.87 92.58 2.02 5.41 50.95 24.64 17.17 1.33 3.93 0.00 1.04 0.93 55 R C C 163.73 3.01 8.40 13.45 116.63 -134.53 -98.32 136.46 89.37 4.52 6.11 59.52 21.84 8.06 1.64 4.46 0.00 2.70 1.78 56 K C C 156.51 1.80 8.11 11.66 114.72 -141.88 -92.25 132.87 88.58 6.65 4.77 72.21 11.26 4.96 1.44 3.37 0.00 4.72 2.05 57 R C C 175.82 2.11 7.21 11.35 112.37 -129.53 -86.81 130.72 91.48 6.36 2.16 89.05 1.12 1.99 0.89 0.83 0.00 4.28 1.85 58 R C C 176.72 1.97 9.20 12.84 109.26 -141.51 -87.73 118.99 99.87 0.11 0.02 99.77 0.10 0.05 0.01 0.00 0.00 0.05 0.01