# 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 M C C 87.85 9.36 15.96 26.00 119.59 -166.81 -107.88 134.25 99.77 0.23 0.01 99.75 0.09 0.02 0.00 0.00 0.00 0.13 0.02 1 I C C 88.34 9.44 15.10 25.37 115.59 -143.50 -98.10 127.34 80.02 19.89 0.09 80.67 1.13 0.18 0.04 0.04 0.00 12.43 5.52 2 I C C 51.58 12.71 15.37 29.05 118.16 -160.81 -109.71 124.58 80.10 19.87 0.03 71.96 8.60 0.10 0.01 0.02 0.00 17.65 1.65 3 P C C 45.50 10.65 19.75 31.35 114.51 -117.09 -69.13 143.80 78.90 21.06 0.04 76.43 2.13 0.10 0.01 0.03 0.00 20.26 1.04 4 V E E 24.16 19.56 16.85 36.05 118.90 -158.17 -112.77 132.67 45.20 54.76 0.04 40.70 4.14 0.13 0.01 0.04 0.00 51.00 3.98 5 R E E 101.70 8.17 22.71 31.26 122.95 -145.54 -112.62 136.74 8.63 91.33 0.03 8.43 0.34 0.01 0.05 0.01 0.00 49.53 41.63 6 C C C 12.96 18.80 13.35 33.03 109.81 -115.48 -73.72 127.37 74.69 25.27 0.04 76.38 0.61 0.05 0.01 0.02 0.00 19.70 3.23 7 F C T 98.33 9.20 16.78 27.23 92.93 -143.54 -67.21 -27.41 99.68 0.11 0.22 0.24 2.70 96.80 0.01 0.16 0.00 0.06 0.02 8 S C T 69.90 5.38 16.78 22.90 98.64 44.90 -82.23 -39.29 99.76 0.05 0.19 0.06 1.51 98.27 0.00 0.13 0.00 0.02 0.01 9 C C T 69.87 4.82 15.42 21.39 101.87 18.94 -108.61 -13.50 99.76 0.05 0.19 0.25 2.45 97.10 0.00 0.16 0.00 0.02 0.01 10 G C C 39.04 7.62 13.92 22.99 95.62 -122.31 79.41 6.55 99.54 0.30 0.15 86.31 6.97 6.26 0.04 0.09 0.00 0.15 0.18 11 K C C 102.03 4.96 18.39 24.72 118.24 140.73 -78.00 143.64 92.38 7.48 0.14 86.40 6.06 0.25 0.06 0.07 0.00 5.03 2.13 12 V E B 62.43 12.79 16.85 29.96 111.17 -113.94 -75.96 129.24 4.10 95.82 0.08 3.74 0.17 0.02 0.12 0.01 0.00 30.33 65.60 13 V C C 29.15 17.11 16.34 33.46 104.63 174.35 -102.03 -18.92 62.55 31.90 5.55 51.94 6.92 3.15 3.19 2.17 0.00 30.45 2.16 14 G C H 20.57 13.68 17.97 31.28 115.83 47.95 16.59 -120.44 53.37 6.80 39.83 20.74 17.40 16.60 24.14 14.47 0.19 4.96 1.49 15 D H H 111.78 2.55 21.44 23.78 94.57 -3.70 -74.55 -11.93 44.86 1.61 53.53 9.19 8.22 26.96 35.45 18.38 0.20 0.93 0.68 16 K H H 69.68 13.34 17.58 30.83 95.49 61.25 -86.48 -5.40 33.12 0.58 66.30 6.92 3.42 21.87 52.00 15.10 0.10 0.32 0.27 17 W H H 32.30 21.37 15.13 35.93 92.83 88.37 -61.09 -42.83 1.92 0.01 98.07 0.64 0.23 0.93 97.11 1.08 0.00 0.00 0.00 18 D H H 83.05 4.13 22.77 27.10 91.51 51.84 -63.43 -40.92 0.43 0.00 99.57 0.08 0.03 0.24 99.43 0.22 0.00 0.00 0.00 19 A H H 42.27 4.95 22.18 27.64 91.46 50.65 -63.96 -41.94 0.19 0.00 99.81 0.02 0.01 0.12 99.74 0.10 0.00 0.00 0.00 20 Y H H 15.01 20.17 17.00 37.38 91.90 49.91 -63.96 -43.19 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 21 L H H 36.64 13.04 19.30 33.09 91.48 50.64 -63.06 -41.74 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 22 R H H 133.01 1.78 23.11 22.91 91.45 50.58 -63.76 -41.78 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 23 L H H 26.83 9.65 15.84 27.92 91.27 50.32 -63.82 -41.88 0.14 0.00 99.86 0.01 0.00 0.11 99.85 0.03 0.00 0.00 0.00 24 L H H 37.15 15.28 12.48 27.96 92.06 50.91 -64.51 -40.59 0.62 0.00 99.38 0.03 0.02 0.49 99.30 0.16 0.00 0.00 0.00 25 E H H 139.80 2.33 15.44 18.81 90.26 53.47 -65.33 -29.74 7.74 0.00 92.25 0.15 0.19 7.48 91.90 0.28 0.00 0.00 0.00 26 E C T 135.51 1.62 14.09 15.72 93.45 53.67 -85.15 -2.47 83.95 0.01 16.04 0.29 1.13 81.44 16.74 0.39 0.00 0.00 0.01 27 G C T 61.12 1.21 14.77 15.88 95.69 -104.77 83.09 12.78 99.78 0.00 0.22 1.93 1.07 96.87 0.11 0.03 0.00 0.00 0.00 28 K C C 74.45 9.94 9.18 20.59 118.40 154.28 -80.09 146.72 99.63 0.27 0.11 98.54 1.04 0.08 0.06 0.02 0.00 0.07 0.21 29 Q C C 112.85 2.06 19.71 20.75 117.98 -111.37 -77.77 158.03 99.40 0.26 0.34 98.78 0.55 0.17 0.21 0.03 0.00 0.07 0.18 30 E H H 94.48 13.67 13.22 26.63 92.70 -107.13 -58.14 -39.25 8.19 0.04 91.77 0.90 0.95 6.51 88.41 3.16 0.03 0.02 0.02 31 G H H 33.86 5.90 17.71 24.67 92.16 52.15 -62.24 -40.82 7.78 0.03 92.18 0.76 0.64 6.40 88.17 3.97 0.03 0.01 0.02 32 D H H 76.17 2.90 21.21 23.37 92.11 50.22 -66.37 -39.67 2.93 0.04 97.02 1.01 0.38 1.61 93.63 3.32 0.01 0.03 0.01 33 A H H 6.77 17.13 14.46 32.87 91.82 51.84 -63.50 -43.70 0.86 0.02 99.12 0.25 0.11 0.45 98.40 0.78 0.00 0.01 0.00 34 L H H 23.74 16.73 15.70 32.75 92.03 50.18 -64.09 -42.33 0.83 0.01 99.16 0.18 0.08 0.49 98.02 1.22 0.00 0.01 0.00 35 D H H 94.87 2.25 19.96 21.64 92.12 49.79 -64.55 -41.01 1.46 0.01 98.53 0.14 0.08 1.09 97.35 1.33 0.00 0.00 0.00 36 E H H 109.31 4.71 18.00 23.61 91.47 51.17 -66.14 -34.73 7.59 0.01 92.41 0.18 0.24 7.35 90.92 1.29 0.01 0.00 0.00 37 L C T 25.82 17.98 12.81 31.05 94.03 48.23 -87.02 -4.32 76.24 0.05 23.71 0.62 1.74 73.05 23.41 1.10 0.01 0.01 0.06 38 K C T 149.33 2.36 21.15 23.45 94.85 -124.86 59.16 39.39 98.60 0.03 1.37 4.28 1.50 93.15 0.85 0.20 0.00 0.01 0.01 39 L C C 25.81 20.16 9.45 28.72 110.68 170.41 -84.83 117.47 96.77 0.60 2.64 94.48 1.42 1.44 1.25 0.78 0.00 0.21 0.42 40 K C C 141.01 2.95 19.21 22.68 99.46 167.26 -93.26 -19.35 94.64 1.00 4.36 75.80 12.65 6.18 2.52 1.67 0.00 0.40 0.78 41 R C C 109.06 8.09 16.09 25.20 115.64 68.04 -95.89 127.29 85.01 6.32 8.67 41.76 35.21 8.01 5.51 2.78 0.04 2.18 4.52 42 Y H H 97.90 10.64 15.92 27.23 97.95 -125.01 -68.48 -33.95 43.75 9.18 47.07 16.37 17.63 12.91 35.58 7.42 1.21 3.20 5.69 43 C H H 48.74 10.55 18.28 29.28 93.37 48.94 -65.54 -37.54 34.34 1.70 63.96 5.18 6.71 22.65 52.65 10.38 0.64 1.01 0.79 44 C H H 23.89 16.45 16.89 33.28 94.97 47.63 -74.06 -31.47 27.18 3.34 69.49 6.53 5.19 16.20 56.71 11.28 0.83 2.15 1.10 45 R H H 75.63 13.46 17.68 31.01 92.79 63.43 -63.93 -39.92 15.99 3.57 80.43 8.59 3.40 5.99 69.71 8.59 0.13 2.83 0.75 46 R H H 107.24 7.60 20.09 28.22 92.58 53.47 -66.27 -39.24 13.24 2.82 83.94 5.52 2.51 6.30 74.04 8.47 0.15 2.52 0.49 47 M H H 56.90 12.64 18.20 31.04 93.47 50.48 -69.02 -38.31 14.08 3.07 82.86 5.20 2.61 7.30 72.56 8.87 0.21 2.65 0.59 48 V H H 36.12 16.68 16.77 32.88 95.32 45.81 -75.53 -35.54 19.43 3.68 76.88 5.99 3.73 10.98 68.72 6.56 0.36 2.84 0.82 49 L H H 80.36 8.61 18.13 27.21 98.55 45.22 -86.39 -22.08 34.23 7.02 58.75 12.79 7.61 16.01 52.36 4.38 0.40 4.74 1.71 50 T C H 63.34 7.70 15.91 24.67 107.44 58.62 -91.85 14.24 56.42 9.89 33.68 29.50 12.75 14.46 30.77 3.47 0.18 6.57 2.30 51 H C C 84.89 9.21 14.34 24.59 102.19 72.03 -85.63 69.61 66.35 7.14 26.50 52.25 5.14 7.27 26.13 2.58 0.01 4.57 2.05 52 V H H 70.35 8.02 14.39 23.72 95.89 142.39 -67.97 -35.47 26.02 1.27 72.70 17.41 3.75 5.77 68.91 3.03 0.01 0.78 0.32 53 D H H 86.54 3.31 16.35 20.16 93.91 56.45 -66.68 -37.10 16.82 0.64 82.54 9.01 2.36 6.18 78.84 3.02 0.02 0.40 0.17 54 L H H 70.30 6.08 14.62 22.23 93.67 52.21 -66.94 -39.49 8.03 0.27 91.70 3.87 1.24 3.47 87.79 3.36 0.02 0.17 0.08 55 I H H 63.90 7.37 13.64 22.69 92.63 51.26 -64.96 -41.13 3.33 0.11 96.56 1.58 0.52 1.46 93.79 2.54 0.00 0.07 0.02 56 E H H 96.66 3.52 14.99 19.54 92.43 51.11 -64.33 -40.46 3.22 0.09 96.69 1.21 0.44 1.69 93.23 3.35 0.01 0.06 0.02 57 K H H 114.03 2.95 14.81 18.44 92.55 50.80 -66.21 -39.41 4.55 0.09 95.35 1.17 0.52 2.90 91.20 4.10 0.02 0.06 0.03 58 F H H 103.88 5.24 13.34 19.97 93.04 50.21 -67.83 -37.01 6.37 0.08 93.55 1.21 0.68 4.40 89.13 4.50 0.02 0.05 0.03 59 L H H 89.86 4.83 12.59 18.91 94.18 52.93 -71.33 -29.64 20.98 0.33 78.69 3.64 2.30 14.91 71.15 7.58 0.09 0.18 0.16 60 R H H 154.99 2.36 14.01 16.99 96.09 57.81 -77.77 -17.50 48.68 0.44 50.87 8.24 4.44 35.48 44.32 6.98 0.05 0.22 0.27 61 Y C H 126.27 5.39 10.90 17.80 103.47 69.72 -85.32 10.21 60.83 0.99 38.19 23.24 14.35 24.42 30.91 6.02 0.05 0.36 0.66 62 N C C 73.66 5.71 11.01 18.60 110.49 98.42 -94.46 110.55 78.12 0.48 21.40 60.16 12.50 3.78 21.48 1.61 0.00 0.16 0.31 63 P H H 80.47 3.78 11.91 17.37 94.96 -159.27 -64.70 -33.07 26.02 0.32 73.66 12.97 4.07 9.79 66.19 6.67 0.01 0.16 0.13 64 L H H 103.63 1.99 12.81 15.25 93.79 54.00 -66.44 -38.08 17.84 0.32 81.83 7.28 3.04 8.34 73.57 7.43 0.03 0.19 0.12 65 E H H 97.46 3.31 11.58 16.31 93.83 52.19 -67.62 -37.08 15.31 0.42 84.27 8.34 2.55 5.32 75.62 7.76 0.01 0.27 0.12 66 K H H 106.57 4.06 10.43 16.21 93.34 54.17 -66.55 -38.32 15.43 0.45 84.13 9.11 2.78 4.91 77.42 5.38 0.01 0.26 0.14 67 K H H 134.75 1.79 11.62 13.96 94.07 52.48 -67.86 -36.42 17.61 0.46 81.93 9.07 3.14 6.55 75.70 5.10 0.02 0.26 0.16 68 D H H 102.85 1.76 10.90 13.29 95.15 52.59 -71.76 -30.32 25.32 0.55 74.13 12.63 3.97 9.79 67.93 5.16 0.02 0.29 0.22 69 F H H 138.96 2.91 8.86 13.33 97.73 54.83 -77.63 -19.50 35.54 0.80 63.65 15.76 6.30 15.31 57.40 4.42 0.04 0.37 0.40 70 D C H 113.98 1.76 8.97 11.97 100.78 57.90 -84.62 3.55 59.64 0.58 39.78 36.21 1.93 20.34 38.76 2.19 0.00 0.25 0.33 71 S C C 77.69 3.15 10.07 14.71 105.39 88.96 -83.39 29.32 99.88 0.03 0.10 99.58 0.12 0.20 0.07 0.00 0.00 0.01 0.01