# 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 72.80 5.02 11.21 17.69 113.20 -127.64 -78.83 141.16 99.87 0.07 0.06 99.76 0.09 0.07 0.03 0.00 0.00 0.03 0.01 1 R C C 166.46 2.47 9.61 13.81 112.97 -137.96 -90.93 128.13 84.08 6.11 9.81 80.10 1.43 2.64 9.16 1.03 0.00 3.11 2.53 2 R C C 157.10 3.15 8.85 13.99 115.08 -146.37 -92.84 132.74 78.17 7.60 14.24 65.18 8.33 3.63 14.10 1.77 0.00 4.19 2.79 3 T C C 70.59 4.51 9.37 15.68 117.56 -151.84 -91.55 159.25 75.64 3.74 20.62 65.37 5.85 2.98 21.27 1.43 0.00 1.97 1.14 4 W H H 182.17 1.83 12.28 14.75 94.16 -113.68 -63.68 -35.88 14.78 0.63 84.59 8.49 3.29 4.46 81.11 2.09 0.03 0.34 0.21 5 L H H 87.97 4.42 12.34 18.09 92.88 52.71 -66.03 -39.77 7.10 0.17 92.73 2.42 1.16 4.00 89.48 2.75 0.05 0.10 0.06 6 G H H 24.26 6.79 11.55 20.50 92.58 52.82 -63.67 -40.49 4.54 0.09 95.37 1.40 0.64 2.67 91.81 3.37 0.02 0.06 0.03 7 D H H 90.36 2.39 14.96 17.73 92.80 50.76 -67.20 -37.22 4.73 0.07 95.19 1.09 0.59 3.10 90.79 4.33 0.03 0.04 0.03 8 I H H 95.66 3.19 14.79 18.61 93.62 48.93 -68.95 -37.81 11.48 0.08 88.44 0.97 0.96 9.73 84.24 3.92 0.08 0.04 0.05 9 L H H 71.06 7.68 13.01 22.03 94.71 49.46 -75.75 -30.32 16.99 0.08 82.92 1.63 1.98 13.71 79.95 2.58 0.06 0.03 0.06 10 R H H 126.26 4.84 14.45 20.81 93.65 63.86 -62.85 -42.66 13.16 0.14 86.70 3.29 1.59 7.20 60.15 27.61 0.02 0.08 0.05 11 P H H 78.40 2.27 16.00 18.12 92.86 49.64 -65.26 -37.62 12.03 0.14 87.83 2.44 1.18 7.01 60.31 28.91 0.02 0.09 0.04 12 L H H 74.97 5.28 13.62 20.40 93.15 51.12 -66.98 -37.83 10.28 0.19 89.54 2.51 1.42 5.64 61.99 28.24 0.03 0.11 0.05 13 N H H 65.41 7.29 12.06 21.07 93.18 52.26 -67.91 -34.17 23.11 0.90 75.99 10.76 4.29 9.10 59.40 15.53 0.06 0.49 0.37 14 S H H 71.34 2.43 13.49 16.56 93.37 57.80 -68.00 -32.44 31.05 0.91 68.04 8.87 4.72 16.81 47.38 21.20 0.12 0.51 0.40 15 E H H 131.01 2.18 12.43 15.36 95.22 55.18 -76.51 -17.57 37.42 1.61 60.97 9.26 5.64 21.49 41.37 20.36 0.24 0.92 0.72 16 Y C T 139.82 4.64 9.59 15.82 101.74 63.90 -85.08 10.27 59.03 1.75 39.22 8.86 10.03 38.70 25.05 15.04 0.24 0.90 1.18 17 G C T 56.62 2.25 12.30 15.69 101.04 -80.40 75.52 7.49 83.30 1.73 14.97 19.46 13.22 51.15 8.63 5.76 0.01 0.98 0.77 18 K C C 141.18 2.75 11.97 16.19 107.67 106.04 -93.06 44.24 80.37 10.41 9.22 50.55 15.80 14.01 4.77 4.53 0.02 6.98 3.33 19 V C C 88.94 6.11 9.33 17.09 114.56 67.31 -96.18 129.79 74.16 21.39 4.45 51.77 17.33 4.30 2.88 1.91 0.02 11.13 10.67 20 A C C 65.61 4.35 10.83 16.95 116.76 -127.59 -92.36 142.89 88.27 10.14 1.58 68.14 16.90 3.14 0.73 0.90 0.00 7.60 2.59 21 P C C 103.78 2.66 11.84 15.92 109.43 -101.51 -68.32 142.46 90.92 3.76 5.31 37.84 22.78 31.09 1.36 3.59 0.00 2.29 1.06 22 G C C 53.65 2.71 11.14 15.29 110.43 35.85 87.78 10.58 88.34 3.77 7.89 38.56 21.12 29.51 2.09 5.22 0.00 1.95 1.54 23 W C C 176.11 3.24 10.09 14.84 105.33 -23.16 -86.81 42.10 78.55 5.63 15.81 29.84 20.68 29.44 5.28 9.26 0.05 2.67 2.78 24 G C C 46.65 3.89 12.17 17.36 108.22 13.66 75.52 -3.99 80.07 4.90 15.03 29.71 23.05 28.77 5.95 7.89 0.04 2.41 2.19 25 T C C 72.39 5.38 11.19 18.14 103.64 84.48 -88.77 3.71 70.54 3.92 25.55 45.51 15.65 9.62 18.95 6.37 0.03 1.66 2.21 26 T H H 78.31 3.87 12.45 17.72 95.55 83.91 -65.01 -40.80 17.30 0.33 82.37 9.03 5.60 3.70 80.13 1.30 0.01 0.11 0.12 27 P H H 89.06 1.77 14.41 15.95 93.12 50.87 -65.43 -38.69 8.37 0.27 91.36 3.53 1.32 3.95 89.28 1.66 0.02 0.15 0.08 28 L H H 90.79 2.98 13.51 17.37 92.91 49.40 -67.06 -40.03 4.70 0.30 95.00 2.22 0.63 2.11 93.25 1.50 0.01 0.21 0.07 29 M H H 82.88 5.33 12.61 19.62 92.56 51.83 -65.36 -40.36 1.93 0.10 97.97 1.05 0.25 0.69 97.42 0.49 0.00 0.07 0.02 30 A H H 60.95 2.32 14.70 17.37 92.05 51.29 -64.39 -40.92 1.25 0.07 98.68 0.59 0.13 0.51 98.48 0.22 0.00 0.05 0.01 31 V H H 91.11 1.52 15.42 16.16 92.29 49.58 -65.19 -41.29 0.68 0.04 99.28 0.26 0.06 0.31 99.19 0.14 0.00 0.04 0.01 32 F H H 104.99 3.48 14.25 18.78 92.25 49.56 -65.37 -40.89 0.45 0.03 99.52 0.18 0.04 0.20 99.46 0.09 0.00 0.02 0.00 33 M H H 95.46 3.45 14.40 18.88 92.17 50.42 -64.63 -40.43 0.41 0.01 99.58 0.11 0.03 0.21 99.59 0.06 0.00 0.01 0.00 34 G H H 39.76 1.78 15.22 16.67 91.75 50.96 -63.74 -40.88 0.32 0.00 99.67 0.07 0.02 0.18 99.68 0.05 0.00 0.00 0.00 35 L H H 95.51 1.89 15.14 16.82 91.92 50.07 -64.92 -40.96 0.26 0.00 99.73 0.04 0.01 0.16 99.72 0.06 0.00 0.00 0.00 36 F H H 106.44 3.52 14.06 18.68 92.14 50.34 -65.07 -40.68 0.25 0.00 99.75 0.03 0.01 0.17 99.74 0.06 0.00 0.00 0.00 37 L H H 93.06 2.29 14.76 17.35 92.01 50.78 -64.17 -40.82 0.28 0.00 99.72 0.03 0.01 0.19 99.70 0.07 0.00 0.00 0.00 38 V H H 88.20 1.56 15.41 16.27 91.83 50.15 -64.30 -41.86 0.27 0.00 99.73 0.03 0.01 0.19 99.70 0.07 0.00 0.00 0.00 39 F H H 112.09 2.61 14.65 17.79 91.93 49.72 -64.94 -40.90 0.30 0.00 99.70 0.04 0.01 0.19 99.68 0.08 0.00 0.00 0.00 40 L H H 87.75 3.19 14.31 18.40 91.95 50.83 -64.48 -40.68 0.20 0.00 99.80 0.02 0.01 0.13 99.78 0.06 0.00 0.00 0.00 41 L H H 92.58 2.06 15.21 17.21 92.05 50.71 -64.54 -40.85 0.24 0.00 99.76 0.03 0.01 0.16 99.72 0.08 0.00 0.00 0.00 42 I H H 91.56 2.24 15.29 17.56 92.08 49.69 -64.71 -41.90 0.35 0.01 99.64 0.05 0.02 0.23 99.60 0.09 0.00 0.01 0.00 43 I H H 86.71 3.09 14.63 18.53 92.07 49.47 -64.53 -41.63 0.38 0.01 99.61 0.05 0.02 0.24 99.55 0.13 0.00 0.01 0.00 44 L H H 85.80 2.93 14.31 18.07 91.84 50.63 -64.12 -41.15 0.52 0.01 99.47 0.07 0.03 0.34 99.22 0.32 0.00 0.02 0.00 45 E H H 107.17 2.29 14.38 17.09 92.06 50.59 -64.80 -40.33 1.37 0.02 98.61 0.15 0.08 1.03 98.12 0.59 0.00 0.02 0.00 46 I H H 97.84 2.22 14.12 16.64 92.64 49.07 -65.97 -40.68 3.39 0.05 96.56 0.39 0.25 2.57 95.91 0.82 0.01 0.04 0.01 47 Y H H 136.67 2.36 13.33 16.21 93.20 48.58 -68.17 -36.80 10.15 0.15 89.70 1.69 1.22 7.24 88.56 1.13 0.03 0.07 0.06 48 N H H 91.99 3.21 12.13 16.61 95.94 51.46 -81.08 -17.05 33.35 0.65 66.00 9.47 4.76 19.87 62.86 2.37 0.05 0.29 0.31 49 S H H 66.53 3.24 11.69 16.25 96.19 75.33 -75.95 -24.56 46.93 1.22 51.85 17.03 9.41 21.83 44.96 5.56 0.07 0.60 0.54 50 T H H 82.94 3.06 11.24 15.57 98.99 69.37 -78.64 -19.67 44.21 2.81 52.98 20.24 8.87 16.55 42.14 9.46 0.12 1.72 0.91 51 L H H 110.00 2.55 10.21 14.12 98.35 69.90 -74.82 -23.40 37.22 7.07 55.70 17.83 8.02 12.65 41.06 13.42 0.30 5.23 1.49 52 I H H 118.40 2.33 10.08 13.63 102.39 66.40 -81.06 -16.83 35.52 13.93 50.55 17.79 7.32 12.02 36.55 12.47 0.51 10.95 2.40 53 L H H 114.74 2.87 8.58 13.02 104.98 64.03 -83.81 28.77 39.97 14.21 45.82 18.18 9.05 14.71 31.50 12.37 0.94 9.99 3.26 54 D C T 115.72 1.68 9.35 12.24 104.88 64.47 -83.16 69.43 68.88 3.99 27.13 12.95 10.48 44.00 19.59 8.70 0.18 2.56 1.54 55 G C T 64.42 0.83 10.51 11.43 99.98 -39.24 80.01 8.20 87.36 2.44 10.19 19.49 14.87 53.77 4.95 4.55 0.01 1.65 0.71 56 V C C 90.20 4.51 6.81 13.41 116.55 134.55 -93.88 133.11 85.80 10.51 3.69 68.38 13.09 3.92 2.03 1.78 0.00 7.13 3.68 57 N C C 130.27 1.11 11.18 12.82 112.32 -139.60 -93.73 120.35 86.36 10.78 2.86 77.93 4.98 3.21 1.21 1.44 0.00 8.66 2.58 58 V C C 96.90 5.78 6.62 14.08 112.54 -169.65 -102.00 114.92 87.03 8.64 4.33 66.06 12.49 8.39 1.35 2.94 0.00 6.91 1.86 59 S C C 89.28 1.26 9.40 11.60 111.73 -158.89 -97.85 118.27 88.48 7.76 3.76 67.04 10.75 10.60 1.19 2.49 0.00 6.32 1.60 60 W C C 175.71 3.98 6.55 12.47 109.59 -168.03 -94.05 102.86 92.39 4.75 2.86 88.32 1.37 3.37 0.84 1.52 0.00 3.34 1.24 61 K C C 160.10 1.47 11.33 13.74 109.69 -164.79 -92.40 119.66 99.88 0.11 0.01 99.80 0.08 0.04 0.01 0.00 0.00 0.06 0.01