# 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 70.36 4.09 11.33 16.83 110.90 -131.37 -79.25 142.02 99.90 0.04 0.07 99.77 0.10 0.06 0.04 0.00 0.00 0.01 0.01 1 S C C 79.68 2.35 9.57 13.24 108.36 -136.96 -80.15 128.34 73.68 0.48 25.83 66.76 1.26 5.35 24.73 1.42 0.00 0.18 0.29 2 N H H 117.62 1.90 9.22 12.24 101.96 51.09 -78.30 -16.74 46.00 0.55 53.46 26.61 8.82 11.36 49.33 3.37 0.01 0.21 0.30 3 N H H 111.09 1.97 10.03 12.97 97.83 62.38 -72.64 -31.14 31.84 0.41 67.75 16.74 6.88 9.75 62.39 3.85 0.02 0.17 0.20 4 T H H 91.08 1.85 11.34 13.81 95.04 58.48 -68.54 -36.15 19.12 0.27 80.61 9.87 4.01 6.34 76.28 3.26 0.01 0.12 0.11 5 A H H 64.55 2.09 12.13 14.87 93.72 53.22 -66.88 -37.96 16.62 0.21 83.17 8.80 3.15 5.31 80.41 2.15 0.01 0.09 0.08 6 S H H 63.48 2.18 12.94 15.62 93.75 52.95 -66.74 -40.12 12.02 0.14 87.84 6.91 2.12 3.49 86.17 1.19 0.00 0.06 0.06 7 I H H 97.77 2.02 13.51 15.80 92.84 50.51 -65.46 -41.49 3.28 0.03 96.69 1.44 0.53 1.26 96.27 0.48 0.00 0.01 0.01 8 A H H 57.56 1.97 14.15 16.33 91.82 50.95 -63.81 -41.60 1.85 0.01 98.13 0.73 0.22 0.80 97.89 0.35 0.00 0.00 0.00 9 Q H H 105.03 1.73 14.86 16.30 92.17 49.55 -65.33 -40.80 1.49 0.01 98.50 0.52 0.18 0.69 98.33 0.27 0.00 0.00 0.00 10 A H H 58.02 2.28 14.00 16.81 91.82 50.68 -63.95 -41.13 1.14 0.00 98.86 0.37 0.10 0.54 98.82 0.17 0.00 0.00 0.00 11 R H H 141.92 1.65 14.83 16.28 91.68 50.47 -64.83 -40.17 0.76 0.00 99.24 0.20 0.06 0.38 99.25 0.10 0.00 0.00 0.00 12 K H H 122.85 1.56 15.18 16.23 92.01 50.36 -65.01 -40.80 0.57 0.00 99.43 0.13 0.05 0.29 99.45 0.07 0.00 0.00 0.00 13 L H H 92.01 1.78 14.98 16.49 91.84 50.02 -64.49 -41.60 0.46 0.00 99.53 0.10 0.04 0.25 99.55 0.07 0.00 0.00 0.00 14 V H H 81.69 1.95 14.76 16.67 91.72 49.49 -64.27 -41.84 0.38 0.00 99.62 0.08 0.03 0.20 99.64 0.05 0.00 0.00 0.00 15 Q H H 100.19 1.75 15.08 16.52 91.58 50.26 -64.13 -41.17 0.43 0.00 99.56 0.08 0.03 0.24 99.59 0.06 0.00 0.00 0.00 16 Q H H 104.35 1.55 15.01 16.02 91.76 50.24 -64.69 -40.99 0.57 0.00 99.43 0.09 0.04 0.34 99.44 0.09 0.00 0.00 0.00 17 L H H 96.54 1.74 14.47 16.06 91.76 50.26 -64.55 -40.71 0.65 0.00 99.34 0.11 0.05 0.38 99.32 0.14 0.00 0.00 0.00 18 K H H 126.04 1.66 14.67 16.19 91.67 50.47 -64.20 -40.54 0.97 0.00 99.03 0.16 0.07 0.59 98.95 0.23 0.00 0.00 0.00 19 M H H 107.59 1.50 15.28 16.06 91.89 49.66 -64.71 -41.20 1.77 0.01 98.23 0.29 0.14 1.14 97.98 0.44 0.00 0.00 0.00 20 E H H 110.28 1.57 15.26 16.24 91.78 50.07 -64.82 -40.34 3.96 0.01 96.03 0.59 0.35 2.67 95.64 0.73 0.00 0.00 0.00 21 A H H 53.53 2.62 13.67 17.23 91.89 50.93 -64.82 -40.05 12.75 0.04 87.21 1.97 1.27 8.94 86.54 1.22 0.01 0.01 0.03 22 N H H 91.54 1.88 14.99 16.66 92.66 51.71 -65.29 -39.50 24.91 0.08 75.01 5.01 2.18 16.95 74.27 1.50 0.01 0.03 0.05 23 I H H 98.65 1.65 14.97 16.13 92.46 51.07 -65.06 -41.36 12.28 0.08 87.65 4.07 2.21 6.05 86.02 1.57 0.01 0.03 0.04 24 D H H 86.79 1.91 14.60 16.51 92.34 49.90 -65.66 -40.56 9.07 0.07 90.86 3.80 1.27 3.95 89.50 1.41 0.00 0.03 0.03 25 R H H 141.02 1.79 14.41 16.21 92.26 50.52 -65.30 -40.19 6.40 0.05 93.56 2.19 0.87 3.26 92.27 1.37 0.00 0.02 0.02 26 I H H 98.58 1.68 14.94 16.21 92.05 49.51 -65.09 -41.32 4.60 0.05 95.36 1.77 0.68 2.10 94.58 0.84 0.00 0.02 0.02 27 K H H 120.08 1.78 15.34 16.86 92.14 50.11 -64.90 -40.95 3.58 0.04 96.38 1.60 0.47 1.51 95.82 0.56 0.00 0.02 0.01 28 V H H 83.12 2.26 14.79 17.31 91.90 50.03 -64.28 -41.59 1.82 0.01 98.17 0.69 0.23 0.82 97.93 0.32 0.00 0.00 0.00 29 S H H 62.40 1.98 15.68 17.45 91.78 50.46 -64.60 -40.90 1.48 0.01 98.51 0.50 0.14 0.71 98.40 0.24 0.00 0.00 0.00 30 K H H 125.02 1.55 16.60 17.28 92.13 49.78 -65.08 -40.92 1.05 0.00 98.95 0.26 0.11 0.59 98.86 0.18 0.00 0.00 0.00 31 A H H 54.69 2.38 15.39 18.07 91.90 50.22 -64.13 -41.71 0.94 0.00 99.06 0.24 0.08 0.51 99.03 0.14 0.00 0.00 0.00 32 A H H 55.63 2.54 15.21 18.30 91.79 50.48 -63.62 -41.04 0.51 0.00 99.49 0.10 0.03 0.28 99.52 0.08 0.00 0.00 0.00 33 A H H 59.42 2.03 15.85 17.70 91.74 50.82 -63.77 -41.01 0.26 0.00 99.74 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 34 D H H 90.71 1.49 16.22 16.77 91.99 49.74 -64.86 -40.67 0.30 0.00 99.70 0.03 0.01 0.18 99.74 0.04 0.00 0.00 0.00 35 L H H 93.85 2.22 14.94 17.38 91.87 50.33 -64.53 -41.55 0.21 0.00 99.79 0.02 0.01 0.12 99.81 0.03 0.00 0.00 0.00 36 M H H 103.08 2.45 14.86 17.82 91.64 50.35 -64.27 -41.10 0.15 0.00 99.85 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 37 A H H 61.96 1.58 15.85 16.61 91.64 50.47 -63.79 -41.32 0.27 0.00 99.73 0.02 0.01 0.18 99.73 0.05 0.00 0.00 0.00 38 Y H H 131.83 1.62 15.61 16.59 92.03 49.56 -64.43 -41.22 0.48 0.00 99.52 0.04 0.02 0.34 99.50 0.10 0.00 0.00 0.00 39 C H H 59.54 4.02 12.82 18.44 92.24 50.07 -65.06 -41.02 0.64 0.00 99.36 0.07 0.04 0.42 99.32 0.16 0.00 0.00 0.00 40 E H H 117.02 2.01 14.73 16.94 91.84 50.57 -64.45 -40.10 1.27 0.00 98.73 0.09 0.06 0.95 98.51 0.39 0.00 0.00 0.00 41 A H H 68.20 1.29 15.44 15.51 92.15 50.47 -65.77 -38.63 5.78 0.00 94.22 0.14 0.21 5.41 93.47 0.77 0.00 0.00 0.00 42 H H H 106.51 2.85 13.46 17.09 95.77 42.35 -81.65 -20.11 16.99 0.02 83.00 0.64 0.84 15.57 81.44 1.48 0.01 0.00 0.01 43 A H G 44.32 7.72 9.37 18.91 92.62 70.99 -63.08 -34.78 19.61 0.09 80.30 2.20 1.45 13.87 38.54 43.82 0.01 0.05 0.06 44 K H G 155.23 1.26 13.31 14.64 91.87 56.89 -69.10 -26.50 31.19 0.06 68.75 1.08 1.39 28.01 21.07 48.37 0.01 0.03 0.05 45 E H G 151.55 0.84 13.28 13.01 96.93 44.86 -93.61 -5.49 35.50 0.11 64.39 1.88 3.39 29.08 12.83 52.67 0.01 0.05 0.09 46 D C C 58.79 7.35 7.28 16.47 111.74 95.29 -91.44 115.02 99.64 0.24 0.12 75.45 23.92 0.21 0.06 0.04 0.00 0.05 0.27 47 P C T 104.75 2.04 10.45 14.03 92.36 -153.19 -64.43 -23.93 77.05 0.13 22.81 2.25 3.99 68.78 1.31 23.54 0.00 0.06 0.08 48 L C T 125.46 1.80 10.15 12.94 93.16 65.07 -75.52 -13.68 77.00 0.31 22.69 1.76 4.44 69.54 1.58 22.35 0.00 0.17 0.17 49 L C T 105.96 4.02 9.08 14.61 98.19 60.28 -83.68 -9.21 67.29 3.44 29.27 18.54 20.21 28.76 2.54 26.29 0.02 1.54 2.10 50 T C S 90.76 2.84 10.13 14.63 116.58 79.29 -101.61 129.88 92.92 2.95 4.13 33.99 41.02 17.87 0.97 3.11 0.00 1.31 1.73 51 P C C 108.79 2.00 11.18 14.45 110.78 -114.73 -71.29 133.55 98.45 0.74 0.81 44.29 39.75 14.25 0.12 0.84 0.00 0.35 0.40 52 V C C 72.89 7.03 7.42 16.07 118.05 -147.35 -99.29 134.82 98.25 1.42 0.33 62.26 35.54 0.55 0.16 0.14 0.00 0.47 0.90 53 P C C 84.43 1.82 12.95 14.96 112.98 -107.05 -65.60 144.09 97.97 1.38 0.65 96.31 1.37 0.48 0.21 0.27 0.00 0.49 0.88 54 A H G 77.61 5.09 7.97 14.96 93.50 -124.35 -61.49 -30.85 42.52 0.39 57.10 5.51 5.52 28.10 1.71 58.83 0.00 0.21 0.13 55 S H G 97.41 0.66 11.69 11.58 93.51 62.59 -74.13 -14.89 42.41 0.19 57.40 2.52 3.86 31.78 1.58 60.10 0.00 0.10 0.06 56 Q H G 123.58 2.16 10.95 14.09 99.45 54.95 -90.44 -5.11 38.99 0.46 60.55 6.31 8.22 22.02 1.73 61.34 0.00 0.23 0.17 57 N C C 56.35 8.36 7.69 17.60 111.43 68.15 -108.57 108.57 98.91 0.58 0.52 69.95 28.14 0.68 0.26 0.21 0.00 0.14 0.61 58 P C T 91.50 3.04 11.16 15.95 93.16 -156.52 -65.90 -20.42 75.90 0.25 23.84 8.32 7.82 59.45 9.45 14.59 0.00 0.12 0.25 59 F C T 128.75 3.90 10.14 15.62 94.67 62.63 -82.80 -9.53 70.74 0.49 28.77 7.02 7.65 55.03 13.57 16.02 0.03 0.24 0.44 60 R C C 142.09 4.15 9.75 15.70 97.70 89.30 -71.15 -19.23 56.20 1.24 42.56 29.28 12.93 13.88 19.93 22.67 0.01 0.55 0.75 61 E C C 133.72 2.32 10.42 13.98 102.51 68.75 -82.31 6.85 58.45 1.25 40.31 38.86 8.22 10.78 21.42 19.48 0.00 0.60 0.64 62 K C C 130.66 3.85 8.83 14.55 107.95 88.13 -84.10 109.74 58.07 1.25 40.68 36.64 9.21 11.58 20.57 20.75 0.01 0.60 0.64 63 K C C 147.76 2.40 9.06 13.21 110.21 -137.32 -88.99 120.11 65.23 1.42 33.35 40.81 10.51 13.51 15.37 18.36 0.01 0.70 0.74 64 F C C 154.80 2.42 7.79 11.91 108.91 -154.93 -93.48 104.80 74.07 2.16 23.77 44.22 14.47 15.61 9.26 14.19 0.00 1.09 1.14 65 F C C 156.85 2.20 8.03 11.92 111.61 -136.25 -99.50 115.70 87.66 2.14 10.20 73.95 3.01 11.64 4.60 4.36 0.00 1.16 1.28 66 C C C 85.88 5.11 9.66 16.37 109.43 -113.40 -90.68 107.55 99.95 0.04 0.01 99.88 0.06 0.03 0.00 0.00 0.00 0.02 0.00