# 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 72.61 5.10 11.41 17.96 113.99 -126.64 -79.94 143.12 99.88 0.08 0.04 99.78 0.09 0.06 0.02 0.00 0.00 0.04 0.01 1 L C C 119.22 3.17 9.46 14.47 112.98 -128.47 -89.69 129.02 86.91 6.78 6.31 83.82 1.25 2.25 5.56 0.83 0.00 3.73 2.56 2 R C C 158.93 3.11 9.45 14.60 115.71 -149.51 -96.15 133.22 82.17 9.56 8.27 70.58 8.08 2.79 7.96 1.36 0.00 5.30 3.92 3 T C C 63.64 6.13 9.08 17.01 118.71 -151.39 -93.42 155.76 83.08 4.48 12.43 74.36 5.68 2.15 12.92 1.07 0.00 2.39 1.42 4 R H H 167.05 1.63 13.75 15.69 93.52 -119.36 -63.25 -35.94 15.55 0.65 83.80 8.92 3.47 4.75 80.22 2.05 0.03 0.35 0.22 5 L H H 79.97 5.93 12.81 20.12 92.72 52.99 -66.02 -39.39 7.01 0.13 92.86 2.19 1.10 4.08 89.79 2.67 0.04 0.08 0.05 6 G H H 20.29 8.83 11.72 22.53 92.44 53.18 -63.44 -40.23 3.79 0.07 96.15 1.13 0.52 2.23 92.71 3.32 0.02 0.04 0.02 7 E H H 116.36 2.34 16.03 18.58 92.22 51.18 -66.24 -38.23 3.46 0.05 96.49 0.78 0.42 2.24 92.50 3.98 0.02 0.03 0.02 8 I H H 93.46 3.61 15.75 19.98 93.09 49.50 -68.32 -38.19 9.29 0.06 90.66 0.73 0.74 7.94 86.94 3.53 0.06 0.03 0.03 9 L H H 60.31 10.14 13.16 24.30 95.02 49.59 -75.61 -28.08 15.91 0.06 84.03 1.28 1.63 13.24 81.56 2.17 0.05 0.02 0.05 10 R H H 122.31 6.02 14.90 22.41 92.78 68.05 -61.53 -42.93 12.25 0.11 87.65 2.81 1.38 6.88 61.56 27.25 0.02 0.06 0.04 11 P H H 78.21 2.30 16.92 18.86 92.22 50.15 -65.15 -37.56 10.92 0.11 88.96 2.06 1.01 6.48 61.45 28.87 0.02 0.07 0.03 12 L H H 69.13 6.17 14.24 21.97 92.65 50.97 -66.63 -38.15 9.19 0.16 90.65 2.18 1.21 5.09 63.01 28.35 0.02 0.10 0.04 13 N H H 56.42 9.06 12.13 22.71 92.97 52.28 -66.46 -34.68 21.01 0.76 78.23 9.37 3.71 8.66 61.16 16.30 0.06 0.42 0.31 14 A H H 69.19 2.75 13.70 17.30 93.22 58.20 -66.73 -34.58 28.12 0.82 71.06 7.11 4.00 15.93 48.56 23.49 0.12 0.46 0.34 15 E H H 134.18 2.01 13.12 15.66 94.55 54.42 -74.16 -21.86 35.14 1.41 63.44 7.81 4.89 20.88 42.40 22.36 0.22 0.82 0.61 16 Y C T 134.61 5.10 10.05 16.74 100.71 55.07 -87.73 1.68 59.18 1.51 39.31 8.02 9.33 39.95 24.24 16.46 0.18 0.79 1.04 17 G C T 55.86 2.47 12.75 16.34 101.64 -105.00 76.17 9.57 86.94 1.62 11.44 19.58 12.74 55.20 6.24 4.62 0.01 0.94 0.67 18 K C C 134.29 3.48 12.39 17.55 110.76 114.10 -97.60 99.76 82.02 11.43 6.55 57.67 13.74 10.12 3.21 3.51 0.01 7.86 3.87 19 V C C 86.54 7.09 9.83 18.43 115.45 101.15 -96.77 129.89 74.79 22.09 3.12 55.04 15.65 3.27 1.94 1.43 0.01 11.87 10.78 20 A C C 63.22 4.88 11.08 17.75 116.55 -125.87 -93.94 142.15 87.80 10.83 1.37 69.44 15.39 2.85 0.61 0.80 0.00 8.31 2.60 21 P C C 103.88 2.74 12.16 16.30 109.47 -102.54 -69.20 141.49 90.14 4.38 5.47 36.18 22.11 32.70 1.47 3.65 0.00 2.72 1.17 22 G C C 53.90 2.74 11.62 15.71 110.25 22.92 95.64 -12.39 87.75 4.36 7.88 35.27 22.15 31.27 2.13 5.20 0.01 2.34 1.64 23 W C C 172.65 3.58 10.30 15.43 105.24 11.42 -87.80 46.74 78.19 6.39 15.41 30.94 21.12 27.52 4.90 9.33 0.05 3.07 3.08 24 G C C 46.34 4.14 12.60 18.02 107.39 14.81 71.91 -5.55 78.51 6.23 15.26 30.96 22.63 26.48 5.90 8.19 0.05 3.12 2.69 25 T C C 70.42 6.38 11.37 19.25 102.65 83.63 -89.20 -2.93 70.53 4.84 24.63 45.11 14.98 10.53 17.05 7.43 0.04 2.18 2.67 26 T H H 73.16 4.86 12.59 18.93 96.53 87.44 -66.75 -40.33 28.00 0.73 71.27 15.64 8.93 4.90 68.20 1.77 0.02 0.27 0.27 27 P H H 92.15 1.90 14.64 16.42 93.52 50.84 -65.58 -37.32 13.96 0.52 85.52 5.67 2.44 6.69 82.32 2.37 0.04 0.29 0.16 28 I H H 95.66 2.99 14.13 17.86 93.30 48.87 -67.91 -39.65 7.99 0.65 91.36 3.58 1.19 3.71 88.71 2.16 0.03 0.45 0.16 29 M H H 78.68 6.07 12.95 20.65 92.60 51.67 -65.35 -40.33 3.42 0.19 96.39 1.91 0.48 1.17 95.54 0.75 0.00 0.11 0.04 30 G H H 35.53 3.12 14.68 18.76 91.95 51.93 -63.56 -40.96 2.27 0.11 97.62 1.12 0.25 0.88 97.35 0.30 0.00 0.07 0.02 31 I H H 101.84 1.66 15.92 16.85 92.37 49.36 -65.45 -41.13 0.80 0.04 99.16 0.31 0.07 0.36 99.06 0.15 0.00 0.03 0.01 32 V H H 73.38 3.74 14.75 19.57 92.16 50.00 -65.19 -41.33 0.36 0.02 99.63 0.15 0.03 0.15 99.59 0.07 0.00 0.01 0.00 33 M H H 91.34 4.17 14.44 19.80 92.20 50.48 -64.89 -40.63 0.29 0.01 99.71 0.08 0.02 0.15 99.70 0.05 0.00 0.00 0.00 34 L H H 95.63 1.84 15.67 17.14 91.81 50.71 -64.26 -41.12 0.18 0.00 99.81 0.03 0.01 0.10 99.81 0.04 0.00 0.00 0.00 35 A H H 61.63 2.11 15.43 17.50 91.75 50.61 -64.57 -41.19 0.20 0.00 99.80 0.03 0.01 0.12 99.79 0.05 0.00 0.00 0.00 36 F H H 104.93 3.90 14.34 19.32 92.06 49.99 -65.24 -40.50 0.26 0.00 99.74 0.02 0.01 0.18 99.73 0.06 0.00 0.00 0.00 37 L H H 89.92 2.84 14.89 18.37 92.02 51.12 -64.40 -40.73 0.30 0.00 99.70 0.03 0.01 0.20 99.68 0.07 0.00 0.00 0.00 38 I H H 99.49 1.69 15.70 16.82 91.83 50.29 -64.47 -41.72 0.28 0.00 99.72 0.03 0.01 0.19 99.70 0.07 0.00 0.00 0.00 39 F H H 111.21 2.83 14.96 18.36 91.93 49.95 -64.98 -40.70 0.30 0.00 99.70 0.04 0.01 0.19 99.67 0.08 0.00 0.00 0.00 40 L H H 85.44 3.69 14.50 19.15 92.10 50.90 -64.83 -40.65 0.22 0.00 99.77 0.02 0.01 0.15 99.75 0.07 0.00 0.00 0.00 41 V H H 81.69 2.31 15.44 17.86 92.11 50.18 -64.92 -41.23 0.28 0.01 99.72 0.04 0.01 0.18 99.68 0.08 0.00 0.00 0.00 42 I H H 90.97 2.33 15.59 17.95 92.11 49.73 -64.63 -41.85 0.34 0.01 99.65 0.05 0.02 0.22 99.62 0.08 0.00 0.01 0.00 43 I H H 84.68 3.46 14.80 19.17 92.14 49.52 -64.89 -41.60 0.33 0.01 99.66 0.05 0.02 0.21 99.60 0.11 0.00 0.01 0.00 44 L H H 83.52 3.35 14.41 18.73 91.98 50.65 -64.42 -41.08 0.47 0.01 99.51 0.06 0.03 0.32 99.28 0.29 0.00 0.02 0.00 45 Q H H 102.21 2.34 14.60 17.34 92.22 50.60 -64.89 -40.07 1.39 0.03 98.58 0.14 0.08 1.07 98.13 0.55 0.00 0.03 0.00 46 I H H 97.10 2.36 14.18 16.96 93.01 48.83 -66.57 -40.75 3.44 0.06 96.50 0.40 0.26 2.61 95.89 0.78 0.01 0.05 0.01 47 Y H H 135.70 2.77 13.16 16.63 93.38 48.65 -68.05 -37.57 10.15 0.17 89.69 1.80 1.25 7.12 88.48 1.16 0.03 0.08 0.07 48 N H H 96.14 3.14 12.16 16.48 95.50 49.66 -81.92 -9.38 32.37 0.60 67.03 8.22 4.40 20.41 63.98 2.36 0.06 0.27 0.30 49 S H H 69.36 3.22 11.42 15.92 96.90 70.73 -78.24 -17.18 49.31 1.14 49.55 15.20 9.90 25.54 43.41 4.79 0.08 0.52 0.56 50 S C H 65.99 3.59 10.50 15.61 103.34 78.09 -81.23 -7.65 50.60 2.27 47.13 21.80 10.45 20.00 37.15 8.35 0.11 1.21 0.92 51 L H H 118.06 2.06 10.19 13.34 97.50 103.67 -75.35 -21.74 42.04 5.23 52.73 16.86 9.83 16.56 36.56 14.90 0.38 3.43 1.48 52 I H H 118.92 2.19 10.10 13.37 98.12 63.64 -77.53 -24.32 40.35 11.06 48.59 15.89 9.08 16.62 31.85 15.25 1.05 7.77 2.50 53 I H H 105.89 3.92 8.27 13.78 103.49 57.87 -87.53 14.03 40.33 13.46 46.22 17.85 9.25 14.79 27.61 17.31 0.95 9.04 3.20 54 E C T 142.77 1.92 9.45 12.81 104.27 89.32 -77.94 37.95 63.79 4.92 31.29 12.46 9.22 40.77 19.45 12.68 0.33 3.25 1.82 55 N C T 137.14 0.78 10.67 11.22 99.65 18.68 -67.88 17.75 78.12 3.03 18.85 16.83 11.30 50.64 8.62 9.49 0.04 2.11 0.98 56 V C C 87.68 5.12 6.70 13.79 117.21 126.91 -95.16 132.11 83.05 12.94 4.01 65.64 13.61 3.30 2.45 1.79 0.00 9.65 3.55 57 D C C 124.34 0.95 11.86 12.88 112.04 -141.60 -94.88 119.14 81.70 16.15 2.16 75.42 3.74 2.06 1.11 0.91 0.00 13.84 2.92 58 V C C 89.42 6.92 6.91 15.41 119.27 -168.38 -110.05 132.75 81.79 14.70 3.51 71.14 7.01 3.11 1.98 1.53 0.00 11.94 3.29 59 D C C 105.38 1.80 11.20 14.02 112.98 -158.30 -102.17 115.86 85.63 10.32 4.05 75.38 6.32 3.51 2.43 1.65 0.00 7.70 3.00 60 W C C 166.88 4.83 7.81 14.50 98.75 -167.84 -78.40 -11.71 68.73 5.96 25.32 37.29 10.89 21.45 9.30 15.27 0.02 3.73 2.05 61 A C T 89.50 1.39 9.25 11.61 98.00 77.70 -78.25 -12.57 67.67 3.33 28.99 22.22 14.71 31.98 9.16 18.53 0.05 1.86 1.49 62 N C T 121.41 1.55 8.65 11.35 103.38 65.23 -89.35 13.42 67.45 2.90 29.65 20.23 18.01 30.90 8.01 19.84 0.05 1.56 1.40 63 G C C 57.15 2.04 8.21 11.86 106.61 -124.25 63.33 23.37 75.51 5.25 19.23 34.70 18.11 24.05 5.55 12.64 0.03 3.13 1.79 64 I C C 131.80 1.84 7.28 10.86 111.65 128.56 -92.60 118.11 79.71 11.95 8.34 66.21 4.13 9.32 3.55 4.09 0.00 7.87 4.82 65 V C C 104.96 3.76 9.49 15.17 113.07 -156.83 -96.52 122.38 99.53 0.45 0.02 99.53 0.12 0.04 0.01 0.00 0.00 0.26 0.04