# 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 V C C 95.80 4.92 10.02 16.80 117.45 -157.67 -100.42 131.14 99.96 0.04 0.00 99.41 0.56 0.01 0.00 0.00 0.00 0.01 0.01 1 P C C 95.57 2.49 9.53 13.66 115.19 -108.46 -67.38 149.39 99.52 0.04 0.44 98.97 0.31 0.43 0.08 0.17 0.00 0.01 0.02 2 P C C 113.26 1.77 8.42 11.75 107.80 -99.63 -69.03 140.94 88.02 0.35 11.63 64.59 9.71 11.69 1.31 12.32 0.00 0.16 0.22 3 V C C 115.44 2.24 7.55 11.60 112.55 -116.50 -91.90 129.92 81.30 1.97 16.73 52.43 14.54 12.94 2.29 15.86 0.00 1.03 0.90 4 Q C C 147.69 1.19 9.86 11.92 109.90 -133.81 -91.55 108.69 83.31 2.97 13.72 62.91 11.90 7.65 2.27 12.33 0.00 1.68 1.27 5 V C C 79.15 6.88 6.44 14.79 119.20 157.07 -103.35 140.65 94.73 3.00 2.26 72.12 20.85 1.40 1.30 0.82 0.00 1.03 2.47 6 S C C 62.55 2.20 11.39 14.50 116.26 -111.28 -73.69 152.10 99.39 0.18 0.43 97.17 2.14 0.16 0.36 0.04 0.00 0.05 0.08 7 P H H 104.58 1.86 10.32 13.47 91.89 -113.72 -58.50 -36.45 5.46 0.01 94.53 0.87 0.85 3.51 93.81 0.95 0.01 0.00 0.01 8 L H H 122.17 0.94 12.21 12.51 92.06 53.02 -64.93 -39.53 3.17 0.01 96.82 0.39 0.36 2.29 95.91 1.03 0.01 0.00 0.01 9 I H H 88.37 2.86 12.11 16.16 92.61 47.90 -66.57 -40.42 1.70 0.01 98.29 0.40 0.23 1.00 97.14 1.21 0.01 0.00 0.00 10 K H H 101.24 4.19 12.45 18.26 92.14 51.03 -64.32 -41.15 1.65 0.01 98.34 0.40 0.19 0.94 97.61 0.85 0.00 0.00 0.00 11 L H H 100.04 1.56 14.99 16.00 92.18 49.57 -64.31 -40.76 4.24 0.01 95.75 0.53 0.34 3.11 95.34 0.66 0.01 0.00 0.01 12 G H H 38.84 2.11 14.83 17.01 92.02 50.47 -64.62 -40.79 6.64 0.01 93.35 0.80 0.54 4.83 93.28 0.54 0.00 0.00 0.01 13 R H H 122.20 3.28 14.25 18.52 92.38 50.32 -65.30 -40.80 5.02 0.01 94.97 0.86 0.52 3.35 94.55 0.71 0.00 0.00 0.01 14 Y H H 128.22 2.38 15.18 17.84 92.23 49.86 -64.77 -41.19 2.53 0.01 97.46 0.54 0.24 1.62 96.90 0.70 0.00 0.00 0.00 15 S H H 62.38 1.69 15.52 16.67 91.67 50.22 -64.15 -41.29 0.90 0.00 99.10 0.19 0.07 0.53 98.81 0.40 0.00 0.00 0.00 16 A H H 60.11 2.24 14.71 17.21 92.09 50.28 -64.49 -41.17 0.34 0.00 99.66 0.05 0.02 0.22 99.52 0.20 0.00 0.00 0.00 17 L H H 94.53 2.56 14.53 17.59 92.16 50.31 -64.73 -41.39 0.24 0.00 99.76 0.02 0.01 0.17 99.65 0.15 0.00 0.00 0.00 18 F H H 127.90 1.47 15.63 16.30 91.92 49.71 -64.39 -41.71 0.36 0.00 99.64 0.03 0.02 0.25 99.57 0.14 0.00 0.00 0.00 19 L H H 97.80 1.62 15.65 16.64 91.75 49.76 -64.27 -41.30 0.36 0.00 99.64 0.03 0.02 0.24 99.62 0.09 0.00 0.00 0.00 20 G H H 35.38 3.17 13.96 18.23 92.06 50.92 -63.76 -41.73 0.36 0.00 99.64 0.03 0.02 0.22 99.62 0.11 0.00 0.00 0.00 21 M H H 107.98 1.94 15.34 17.13 92.09 49.12 -65.19 -41.21 0.33 0.00 99.67 0.02 0.01 0.23 99.56 0.17 0.00 0.00 0.00 22 A H H 63.66 1.59 15.84 16.64 91.83 49.79 -64.96 -41.49 0.74 0.00 99.26 0.05 0.03 0.54 99.15 0.22 0.00 0.00 0.00 23 Y H H 126.40 2.02 15.09 16.99 92.41 48.67 -65.87 -40.63 2.30 0.00 97.70 0.21 0.15 1.72 97.55 0.36 0.00 0.00 0.00 24 G H H 31.64 3.67 13.38 18.55 92.16 52.88 -63.27 -42.23 3.46 0.01 96.53 0.50 0.27 2.34 96.17 0.71 0.00 0.00 0.00 25 A H H 62.24 1.97 14.80 16.77 92.01 50.42 -64.47 -40.65 2.50 0.01 97.50 0.33 0.20 1.71 96.64 1.12 0.00 0.00 0.00 26 K H H 126.99 1.31 15.28 15.62 92.27 49.73 -65.31 -40.50 2.88 0.01 97.11 0.43 0.26 1.92 95.89 1.49 0.00 0.00 0.00 27 R H H 132.32 2.09 14.10 16.46 92.46 49.41 -66.10 -39.82 4.66 0.02 95.32 0.73 0.41 3.21 93.60 2.02 0.01 0.01 0.01 28 Y H H 132.53 2.64 12.95 16.58 92.18 50.84 -65.66 -38.84 4.10 0.01 95.89 0.62 0.38 2.81 92.30 3.87 0.01 0.01 0.00 29 N H H 104.24 1.54 13.80 15.19 92.24 52.94 -67.28 -34.42 7.43 0.01 92.55 0.54 0.43 6.08 87.61 5.31 0.01 0.01 0.01 30 Y H H 151.93 1.49 13.62 14.84 94.06 51.04 -72.16 -33.44 19.40 0.02 80.58 0.81 1.03 17.33 76.04 4.76 0.02 0.01 0.02 31 L H H 94.07 3.50 11.73 16.64 96.83 49.07 -82.24 -18.17 27.96 0.11 71.93 3.14 3.28 21.83 68.13 3.42 0.05 0.04 0.10 32 K H H 113.56 3.30 12.63 17.31 95.02 71.58 -64.91 -42.53 9.70 0.03 90.26 5.19 1.91 2.59 89.06 1.23 0.00 0.01 0.01 33 P H H 82.89 1.77 14.91 16.23 92.52 50.22 -63.99 -40.34 3.64 0.01 96.34 1.44 0.39 1.67 95.23 1.26 0.00 0.01 0.00 34 R H H 139.66 1.67 14.85 16.21 92.45 49.96 -65.44 -40.14 1.38 0.01 98.62 0.46 0.14 0.66 97.78 0.96 0.00 0.00 0.00 35 A H H 47.17 3.40 12.93 17.92 91.92 51.16 -64.34 -40.86 1.04 0.00 98.95 0.34 0.09 0.49 98.65 0.43 0.00 0.00 0.00 36 E H H 102.89 1.85 14.95 16.66 91.68 50.45 -64.38 -40.93 0.72 0.00 99.27 0.19 0.06 0.35 99.26 0.16 0.00 0.00 0.00 37 E H H 108.26 1.53 15.27 16.10 91.94 49.85 -64.35 -41.10 0.57 0.00 99.42 0.10 0.03 0.31 99.45 0.10 0.00 0.00 0.00 38 E H H 108.59 1.99 14.67 16.71 92.03 49.69 -65.23 -40.53 0.47 0.00 99.53 0.09 0.03 0.25 99.57 0.07 0.00 0.00 0.00 39 R H H 136.87 1.94 14.52 16.57 92.10 50.54 -65.02 -40.39 0.42 0.00 99.58 0.09 0.03 0.21 99.61 0.06 0.00 0.00 0.00 40 R H H 141.88 1.37 15.50 16.02 91.90 49.90 -64.57 -41.06 0.40 0.00 99.60 0.08 0.03 0.20 99.64 0.06 0.00 0.00 0.00 41 L H H 91.53 1.73 15.47 16.73 91.88 49.14 -64.47 -41.61 0.37 0.00 99.63 0.07 0.02 0.19 99.67 0.05 0.00 0.00 0.00 42 A H H 54.09 2.36 14.79 17.62 91.74 50.46 -63.43 -41.39 0.42 0.00 99.58 0.06 0.02 0.22 99.63 0.06 0.00 0.00 0.00 43 A H H 54.69 2.02 14.92 17.08 91.76 50.11 -63.91 -41.17 0.64 0.00 99.36 0.09 0.04 0.37 99.42 0.09 0.00 0.00 0.00 44 E H H 108.58 1.48 15.70 16.31 91.77 50.08 -64.52 -40.99 0.94 0.00 99.06 0.14 0.06 0.54 99.15 0.11 0.00 0.00 0.00 45 E H H 104.56 1.82 14.79 16.47 91.67 49.95 -65.02 -40.61 1.48 0.00 98.52 0.26 0.11 0.82 98.67 0.14 0.00 0.00 0.00 46 K H H 118.17 1.71 14.74 16.27 91.75 50.82 -64.47 -40.49 1.37 0.00 98.62 0.42 0.11 0.61 98.71 0.15 0.00 0.00 0.00 47 K H H 120.85 1.43 15.08 15.83 91.74 50.32 -64.52 -40.81 1.17 0.00 98.83 0.34 0.09 0.55 98.87 0.15 0.00 0.00 0.00 48 K H H 119.98 1.47 15.18 15.98 91.87 49.55 -64.77 -41.03 0.83 0.00 99.17 0.24 0.07 0.39 99.16 0.13 0.00 0.00 0.00 49 R H H 130.50 1.63 14.85 16.14 91.72 49.99 -64.44 -40.85 0.70 0.00 99.30 0.16 0.05 0.35 99.32 0.11 0.00 0.00 0.00 50 D H H 78.67 1.77 14.68 16.31 91.49 50.32 -64.20 -40.49 0.70 0.00 99.29 0.16 0.05 0.36 99.33 0.10 0.00 0.00 0.00 51 E H H 104.07 1.71 14.89 16.29 91.57 50.58 -64.30 -40.64 0.59 0.00 99.41 0.11 0.04 0.32 99.44 0.09 0.00 0.00 0.00 52 Q H H 104.68 1.64 14.75 16.04 91.80 49.99 -64.85 -40.44 0.77 0.00 99.23 0.13 0.05 0.45 99.28 0.10 0.00 0.00 0.00 53 K H H 118.49 1.52 14.86 15.85 91.85 50.19 -64.73 -40.60 0.83 0.00 99.17 0.16 0.05 0.47 99.23 0.09 0.00 0.00 0.00 54 R H H 133.16 1.49 14.82 15.73 91.75 50.51 -64.15 -41.32 0.59 0.00 99.41 0.15 0.04 0.29 99.44 0.08 0.00 0.00 0.00 55 I H H 92.94 1.79 14.39 16.10 91.70 49.70 -64.21 -41.27 0.41 0.00 99.58 0.10 0.03 0.21 99.59 0.07 0.00 0.00 0.00 56 E H H 111.02 1.65 14.67 16.05 91.67 50.12 -64.08 -40.77 0.35 0.00 99.64 0.07 0.02 0.19 99.66 0.07 0.00 0.00 0.00 57 R H H 141.78 1.38 14.77 15.51 91.82 50.22 -64.99 -40.44 0.41 0.00 99.59 0.07 0.03 0.23 99.61 0.06 0.00 0.00 0.00 58 E H H 111.03 1.55 14.94 15.95 91.78 50.40 -64.58 -41.11 0.40 0.00 99.60 0.06 0.03 0.22 99.61 0.07 0.00 0.00 0.00 59 L H H 93.75 1.65 14.60 15.93 91.78 49.91 -64.28 -41.17 0.57 0.00 99.43 0.11 0.04 0.31 99.43 0.11 0.00 0.00 0.00 60 A H H 57.77 1.76 14.12 15.89 91.59 50.36 -63.56 -40.81 1.03 0.00 98.97 0.20 0.07 0.57 98.98 0.17 0.00 0.00 0.00 61 E H H 109.24 1.52 14.46 15.53 91.81 50.41 -64.69 -40.46 2.12 0.00 97.87 0.38 0.17 1.29 97.83 0.33 0.00 0.00 0.00 62 A H H 59.79 1.75 13.52 15.42 91.78 50.70 -64.21 -40.60 3.97 0.01 96.02 0.94 0.40 2.27 95.70 0.68 0.00 0.00 0.01 63 Q H H 109.45 1.36 13.51 14.42 92.20 50.23 -65.46 -39.77 6.91 0.03 93.06 2.28 0.92 3.58 91.68 1.50 0.00 0.01 0.02 64 E H H 113.31 1.49 12.32 13.92 92.30 51.09 -65.86 -38.46 11.61 0.06 88.33 4.16 1.52 5.82 85.59 2.84 0.00 0.02 0.04 65 D H H 91.85 1.64 11.04 13.28 92.97 52.40 -68.52 -34.97 18.26 0.13 81.61 7.26 2.29 8.52 77.08 4.72 0.01 0.05 0.07 66 T H H 92.86 1.36 10.01 11.90 94.59 55.44 -68.92 -34.51 24.85 0.31 74.84 10.31 3.40 11.25 66.39 8.34 0.01 0.14 0.16 67 I H H 134.24 0.85 8.89 9.91 95.61 55.22 -72.47 -27.61 39.07 0.53 60.40 13.35 5.92 20.25 52.25 7.65 0.04 0.24 0.30 68 L C H 130.98 1.18 7.60 9.70 99.51 56.72 -83.62 -3.49 59.98 0.62 39.40 33.84 2.03 23.71 35.33 4.38 0.00 0.27 0.44 69 K C C 152.08 1.96 10.13 13.51 105.59 105.02 -80.39 78.68 99.96 0.02 0.03 99.87 0.05 0.05 0.02 0.00 0.00 0.01 0.00