# 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 T C C 107.77 2.04 12.08 15.05 106.87 -127.19 -84.20 113.00 99.96 0.03 0.00 99.92 0.05 0.02 0.00 0.00 0.00 0.01 0.00 1 I C C 108.48 4.72 7.46 14.05 115.90 119.13 -96.70 128.52 91.96 6.13 1.90 89.52 1.49 0.79 1.49 0.28 0.00 1.64 4.80 2 A C C 78.48 2.00 10.10 13.33 115.97 -120.56 -74.72 147.97 94.23 1.38 4.39 84.72 7.34 2.27 3.55 0.86 0.00 0.78 0.49 3 P C C 99.56 2.89 9.77 14.38 112.22 -101.29 -68.62 143.95 86.83 1.90 11.27 72.31 8.53 5.95 8.70 2.68 0.00 1.04 0.79 4 I C C 111.53 4.07 8.07 13.98 110.36 -122.31 -85.08 121.69 78.83 3.32 17.86 64.72 7.92 5.55 15.71 2.89 0.00 1.61 1.59 5 T C C 97.75 2.13 10.51 13.79 107.27 -159.43 -93.15 61.58 71.51 1.94 26.55 50.77 10.28 8.68 26.00 2.56 0.00 0.93 0.77 6 G C H 44.18 2.85 11.17 15.10 102.64 31.39 -21.91 -31.98 60.70 0.86 38.44 37.13 12.67 9.21 38.10 2.18 0.00 0.34 0.37 7 T H H 86.44 2.16 11.27 14.16 96.35 56.94 -69.82 -38.04 22.05 0.43 77.52 14.03 4.17 4.48 75.18 1.78 0.01 0.19 0.15 8 I H H 105.62 2.20 11.38 14.35 94.38 51.98 -66.63 -39.87 10.87 0.38 88.75 6.36 1.92 3.39 86.22 1.76 0.01 0.21 0.12 9 K H H 126.99 1.84 12.52 14.77 93.35 51.88 -66.20 -39.73 8.16 0.30 91.54 5.18 1.16 2.43 89.43 1.53 0.00 0.18 0.09 10 R H H 140.46 1.79 13.35 15.32 93.03 50.64 -66.20 -39.88 4.41 0.08 95.51 2.40 0.60 1.50 94.73 0.70 0.00 0.04 0.03 11 R H H 134.53 2.25 13.53 16.25 93.13 51.48 -66.28 -39.69 2.69 0.05 97.26 1.40 0.33 0.99 96.84 0.41 0.00 0.03 0.01 12 V H H 83.52 2.41 13.56 16.58 92.62 50.90 -65.06 -41.64 1.64 0.03 98.33 0.80 0.17 0.63 98.11 0.27 0.00 0.01 0.01 13 I H H 103.03 1.63 14.86 16.02 92.27 49.57 -64.70 -41.58 0.75 0.01 99.25 0.28 0.07 0.32 99.18 0.15 0.00 0.00 0.00 14 M H H 104.38 1.86 14.98 16.63 92.16 49.28 -64.86 -41.28 0.47 0.00 99.53 0.12 0.04 0.23 99.52 0.09 0.00 0.00 0.00 15 D H H 78.97 2.66 14.12 17.50 92.15 49.55 -65.53 -40.66 0.59 0.00 99.41 0.12 0.04 0.33 99.41 0.09 0.00 0.00 0.00 16 I H H 97.76 2.19 15.15 17.41 92.20 49.44 -65.22 -41.28 0.46 0.00 99.54 0.07 0.03 0.26 99.54 0.09 0.00 0.00 0.00 17 V H H 85.67 1.80 15.93 17.17 92.16 49.49 -64.70 -42.01 0.43 0.00 99.57 0.06 0.03 0.25 99.56 0.10 0.00 0.00 0.00 18 L H H 93.39 1.95 15.91 17.53 92.16 48.83 -64.72 -41.46 0.58 0.00 99.42 0.06 0.03 0.38 99.34 0.19 0.00 0.00 0.00 19 G H H 35.86 2.79 14.62 18.20 91.97 50.84 -63.78 -41.57 1.14 0.00 98.86 0.11 0.06 0.80 98.69 0.34 0.00 0.00 0.00 20 F H H 126.11 1.88 15.94 17.48 92.15 49.58 -65.09 -40.79 2.58 0.00 97.42 0.22 0.16 1.98 97.03 0.60 0.00 0.00 0.00 21 S H H 63.68 1.86 16.03 17.43 92.28 50.51 -64.65 -41.51 4.81 0.01 95.18 0.48 0.37 3.66 94.77 0.71 0.00 0.00 0.00 22 L H H 96.96 1.81 16.14 17.40 92.26 49.61 -65.26 -40.98 5.97 0.02 94.01 0.71 0.58 4.40 93.41 0.87 0.01 0.00 0.01 23 G H H 36.71 2.74 14.98 18.27 92.34 51.04 -64.25 -41.09 5.22 0.01 94.77 0.77 0.52 3.61 94.15 0.93 0.00 0.00 0.01 24 G H H 39.39 2.25 15.29 17.68 92.35 50.55 -64.81 -41.13 4.20 0.02 95.79 0.70 0.45 2.79 95.08 0.97 0.00 0.00 0.01 25 V H H 87.14 1.73 15.87 17.01 92.10 49.74 -64.71 -41.65 3.17 0.01 96.81 0.63 0.34 1.98 96.23 0.81 0.00 0.01 0.01 26 M H H 106.56 1.65 15.93 16.82 92.22 49.96 -64.61 -41.01 2.92 0.01 97.08 0.56 0.27 1.82 96.69 0.65 0.00 0.00 0.00 27 A H H 55.93 2.58 14.23 17.42 91.97 50.60 -64.46 -40.46 2.39 0.01 97.61 0.41 0.19 1.50 97.41 0.48 0.00 0.00 0.00 28 S H H 61.01 2.46 14.01 17.11 92.08 50.96 -64.49 -40.26 1.63 0.00 98.37 0.24 0.12 1.05 98.15 0.44 0.00 0.00 0.00 29 Y H H 142.73 1.30 14.71 15.19 92.07 50.61 -65.08 -40.82 1.00 0.00 99.00 0.11 0.06 0.71 98.70 0.43 0.00 0.00 0.00 30 W H H 159.16 1.32 14.41 14.87 92.53 49.16 -66.02 -40.94 1.13 0.00 98.87 0.10 0.07 0.86 98.47 0.49 0.00 0.00 0.00 31 W H H 140.10 2.42 13.20 16.30 92.53 49.07 -66.26 -40.54 1.69 0.00 98.31 0.13 0.11 1.36 97.75 0.64 0.00 0.00 0.00 32 W H H 150.75 2.13 13.49 16.07 92.25 49.30 -65.56 -40.21 2.74 0.01 97.26 0.13 0.15 2.45 96.29 0.97 0.01 0.00 0.00 33 G H H 42.74 1.60 14.45 15.62 92.89 48.69 -66.25 -39.93 8.08 0.01 91.91 0.22 0.34 7.68 90.37 1.37 0.01 0.00 0.00 34 F H H 124.74 1.74 14.29 15.67 95.35 45.23 -73.57 -39.46 29.82 0.03 70.14 0.59 1.40 27.74 68.43 1.75 0.04 0.01 0.03 35 H H H 97.48 3.52 12.93 17.67 94.75 45.70 -72.60 -36.29 21.60 0.05 78.35 1.65 1.63 18.10 77.04 1.48 0.03 0.02 0.04 36 M H H 99.52 2.58 13.77 17.09 92.08 53.53 -63.34 -41.81 3.42 0.00 96.58 0.94 0.41 1.78 96.11 0.75 0.00 0.00 0.00 37 D H H 86.77 1.52 15.30 16.08 92.44 49.99 -65.11 -39.93 2.29 0.01 97.70 0.83 0.21 1.11 97.12 0.72 0.00 0.00 0.00 38 K H H 112.83 2.14 15.01 17.19 92.45 49.91 -65.59 -40.56 1.08 0.00 98.91 0.38 0.11 0.53 98.48 0.50 0.00 0.00 0.00 39 I H H 83.43 2.87 14.14 17.91 92.10 49.92 -64.42 -41.75 0.52 0.00 99.48 0.16 0.05 0.25 99.42 0.12 0.00 0.00 0.00 40 N H H 88.19 1.72 15.24 16.57 91.94 50.34 -64.14 -41.29 0.47 0.00 99.52 0.13 0.03 0.23 99.55 0.06 0.00 0.00 0.00 41 K H H 118.33 1.61 15.20 16.31 91.98 50.18 -64.86 -41.40 0.42 0.00 99.58 0.10 0.03 0.22 99.60 0.05 0.00 0.00 0.00 42 R H H 130.21 2.07 14.60 16.85 91.86 49.53 -64.89 -41.01 0.32 0.00 99.68 0.05 0.02 0.18 99.70 0.04 0.00 0.00 0.00 43 E H H 105.61 1.94 14.63 16.61 91.72 50.28 -64.60 -40.62 0.38 0.00 99.62 0.05 0.02 0.24 99.66 0.04 0.00 0.00 0.00 44 K H H 123.43 1.34 15.36 15.77 91.96 49.85 -64.98 -40.91 0.33 0.00 99.67 0.04 0.01 0.20 99.72 0.04 0.00 0.00 0.00 45 F H H 111.06 1.94 14.64 16.54 91.93 49.74 -64.47 -42.17 0.24 0.00 99.76 0.02 0.01 0.15 99.78 0.04 0.00 0.00 0.00 46 Y H H 124.01 2.10 14.19 16.54 92.03 49.26 -64.92 -40.91 0.18 0.00 99.82 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 47 A H H 55.88 1.94 13.87 16.11 91.70 50.79 -63.67 -41.20 0.21 0.00 99.79 0.02 0.01 0.12 99.81 0.03 0.00 0.00 0.00 48 E H H 109.33 1.37 14.33 15.00 91.94 50.05 -65.01 -41.23 0.39 0.00 99.61 0.04 0.02 0.25 99.63 0.06 0.00 0.00 0.00 49 L H H 88.96 1.79 12.70 14.81 91.87 49.79 -64.91 -40.76 0.71 0.00 99.29 0.09 0.05 0.45 99.28 0.13 0.00 0.00 0.00 50 A H H 58.91 1.91 11.40 14.14 91.54 51.08 -65.05 -39.78 1.65 0.00 98.34 0.21 0.11 1.10 98.23 0.33 0.00 0.00 0.00 51 E H H 127.41 1.19 11.06 12.34 92.27 51.06 -66.04 -37.35 6.32 0.00 93.67 0.53 0.36 4.95 93.25 0.90 0.00 0.00 0.00 52 R H H 172.56 0.90 10.00 10.95 92.65 52.01 -68.61 -32.40 17.20 0.02 82.79 1.73 1.16 13.49 82.50 1.11 0.00 0.00 0.01 53 K C H 153.30 1.19 8.78 10.67 95.64 52.89 -78.14 -12.44 50.70 0.08 49.23 17.49 1.01 29.14 51.27 1.00 0.00 0.02 0.06 54 K C C 154.24 1.89 11.17 14.19 99.89 79.27 -71.70 45.31 99.92 0.00 0.07 99.42 0.15 0.37 0.06 0.00 0.00 0.00 0.00