# 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 114.64 4.09 11.11 16.71 108.44 63.54 -82.34 113.58 99.71 0.09 0.20 99.61 0.10 0.10 0.13 0.01 0.00 0.04 0.02 1 E C C 128.30 2.84 9.29 13.52 100.33 86.05 -77.43 -23.71 60.72 1.01 38.26 55.54 1.28 5.32 33.48 3.43 0.00 0.50 0.45 2 S H H 77.71 2.07 8.87 12.19 97.82 70.62 -74.27 -30.35 36.24 1.20 62.56 24.17 5.57 8.14 52.03 8.97 0.01 0.67 0.42 3 L H H 115.66 1.74 9.10 11.80 96.09 63.22 -71.08 -31.99 20.07 1.22 78.71 10.92 3.50 6.39 60.99 17.04 0.03 0.84 0.28 4 L H H 107.25 2.47 9.48 13.23 95.31 54.72 -70.50 -33.55 14.67 1.11 84.22 7.04 2.53 5.58 64.78 18.99 0.03 0.82 0.23 5 L H H 106.81 2.97 9.56 14.04 96.20 54.44 -76.39 -22.31 16.76 1.22 82.02 6.78 2.88 7.26 61.86 19.97 0.06 0.88 0.31 6 A H H 74.71 2.55 10.05 13.96 97.82 68.79 -73.65 -18.12 39.94 1.05 59.01 9.87 5.87 23.48 45.26 14.30 0.13 0.59 0.49 7 R C T 170.01 1.65 11.25 13.53 101.09 60.79 -87.95 5.09 58.79 1.18 40.03 13.96 9.37 35.34 28.73 11.27 0.07 0.57 0.69 8 L C C 82.91 6.35 7.54 15.67 115.19 107.55 -86.54 137.81 86.72 0.75 12.53 46.91 35.86 4.02 10.53 1.94 0.00 0.23 0.51 9 P C C 82.78 3.17 10.97 15.60 109.17 -104.99 -67.69 146.87 72.34 0.62 27.04 61.40 4.50 7.29 16.17 10.00 0.00 0.30 0.33 10 E H G 139.81 2.27 10.63 14.26 96.32 -116.96 -65.45 -29.41 28.17 0.56 71.27 10.48 4.85 12.27 26.21 45.66 0.01 0.30 0.22 11 A H G 70.66 2.62 10.50 14.32 95.59 63.70 -68.65 -26.48 23.93 0.38 75.69 5.83 3.31 13.39 27.95 49.16 0.01 0.21 0.14 12 Y H G 122.27 5.33 9.56 16.53 97.97 56.95 -82.27 -11.82 18.73 0.30 80.97 5.83 2.65 9.45 28.75 53.04 0.00 0.17 0.10 13 V H G 89.00 4.21 10.47 16.47 94.38 77.65 -67.21 -33.18 18.43 0.43 81.14 5.06 2.59 10.04 25.91 56.01 0.01 0.27 0.12 14 V H G 110.10 1.60 12.52 14.36 94.47 55.13 -72.02 -27.94 23.44 0.35 76.20 3.32 2.59 15.93 21.99 55.84 0.01 0.21 0.11 15 F H G 123.40 3.81 10.90 16.19 101.60 49.80 -91.25 -1.96 31.34 0.64 68.02 7.09 5.40 18.62 17.87 50.37 0.01 0.33 0.30 16 S C C 52.32 6.10 10.54 18.46 106.66 110.19 -74.86 114.26 68.07 0.66 31.26 47.06 15.92 5.41 25.56 5.40 0.00 0.24 0.40 17 P H H 85.91 3.11 11.80 16.16 95.31 55.67 -66.75 -28.66 31.88 0.64 67.48 11.42 4.68 15.32 49.51 18.39 0.05 0.36 0.29 18 L H H 111.08 2.28 11.74 14.87 93.94 59.35 -69.45 -30.80 17.38 0.85 81.77 4.97 2.54 8.97 57.25 25.35 0.10 0.60 0.22 19 V H H 83.74 3.97 10.67 16.20 95.39 55.07 -72.97 -34.60 12.56 0.75 86.69 3.42 1.94 6.35 58.50 29.03 0.06 0.55 0.15 20 D H H 99.20 2.78 12.20 16.05 96.26 54.51 -74.53 -23.64 30.55 0.66 68.79 4.67 3.41 19.78 46.24 25.08 0.13 0.39 0.29 21 V H H 95.49 2.96 11.54 15.47 99.07 49.90 -86.63 -12.25 43.88 1.11 55.01 5.89 6.60 30.20 40.11 15.46 0.46 0.55 0.73 22 F C C 119.31 4.03 10.72 16.50 102.11 76.47 -72.83 -30.87 60.74 2.17 37.09 26.65 18.83 16.55 25.23 10.60 0.10 1.00 1.04 23 P C T 89.67 2.62 12.27 15.82 97.81 52.97 -70.71 -20.57 63.97 0.93 35.10 19.61 9.98 34.57 23.79 11.05 0.02 0.48 0.48 24 V H H 88.78 3.25 12.04 16.41 97.80 57.88 -75.47 -29.94 35.44 1.35 63.21 12.08 6.64 18.04 50.53 11.16 0.20 0.70 0.65 25 I H H 88.22 4.06 12.35 17.89 94.48 63.34 -66.14 -41.04 8.49 0.43 91.08 4.38 1.77 2.99 87.59 2.85 0.01 0.30 0.11 26 P H H 72.20 3.51 13.50 18.15 93.01 51.85 -65.86 -38.83 5.81 0.29 93.90 2.95 0.64 2.35 91.06 2.71 0.01 0.24 0.05 27 V H H 87.71 2.13 14.30 16.58 93.03 51.35 -66.00 -40.18 2.01 0.08 97.91 0.69 0.23 1.02 95.42 2.55 0.00 0.07 0.02 28 F H H 114.68 2.74 14.10 17.49 92.76 50.67 -66.17 -40.51 1.16 0.03 98.80 0.30 0.11 0.66 97.44 1.45 0.00 0.02 0.01 29 F H H 111.30 3.66 13.72 18.52 92.60 50.31 -65.86 -40.42 0.76 0.01 99.23 0.11 0.06 0.51 98.50 0.81 0.00 0.01 0.00 30 L H H 96.18 2.60 14.55 17.65 92.20 51.08 -65.29 -40.87 0.58 0.00 99.42 0.06 0.04 0.41 98.86 0.64 0.00 0.00 0.00 31 L H H 98.07 1.80 15.57 16.96 92.02 50.35 -64.72 -41.37 0.88 0.00 99.12 0.07 0.04 0.68 98.75 0.46 0.00 0.00 0.00 32 L H H 87.39 3.10 15.31 19.04 92.27 49.90 -65.64 -40.48 0.61 0.00 99.39 0.06 0.03 0.42 99.26 0.22 0.00 0.00 0.00 33 A H H 45.54 4.82 13.69 20.31 91.77 51.71 -63.63 -41.16 0.38 0.00 99.62 0.04 0.02 0.25 99.56 0.13 0.00 0.00 0.00 34 F H H 120.67 2.21 15.74 17.94 92.25 50.08 -64.93 -41.00 0.35 0.00 99.65 0.04 0.02 0.25 99.51 0.18 0.00 0.00 0.00 35 V H H 86.74 1.75 15.85 16.96 91.92 49.23 -64.41 -42.32 0.29 0.00 99.71 0.04 0.02 0.20 99.58 0.16 0.00 0.00 0.00 36 W H H 129.29 3.36 14.47 18.73 92.32 48.75 -65.29 -41.04 0.46 0.00 99.54 0.05 0.02 0.31 99.39 0.22 0.00 0.00 0.00 37 Q H H 84.38 4.50 12.65 18.77 92.15 51.02 -64.13 -40.01 1.19 0.00 98.80 0.13 0.07 0.85 98.52 0.42 0.00 0.00 0.00 38 A H H 70.36 1.73 12.77 14.78 91.89 51.73 -65.55 -36.44 4.06 0.01 95.93 0.27 0.22 3.38 95.21 0.91 0.01 0.00 0.00 39 A H H 79.21 1.72 11.70 13.77 93.46 52.50 -71.65 -26.01 13.61 0.04 86.35 0.73 0.82 11.83 85.38 1.18 0.02 0.01 0.02 40 V C H 94.79 3.29 9.54 14.29 98.52 49.72 -88.11 -8.28 52.12 0.45 47.44 3.35 6.17 41.46 46.55 1.89 0.11 0.16 0.31 41 G C T 57.17 1.52 10.69 12.96 103.89 -114.94 77.22 20.44 92.15 0.98 6.87 25.07 9.16 58.41 4.95 1.55 0.00 0.48 0.38 42 F C C 146.90 3.05 7.61 12.48 107.58 118.34 -87.13 97.42 96.18 0.99 2.83 89.63 1.31 5.91 1.33 0.80 0.00 0.53 0.49 43 R C C 167.24 2.46 11.03 15.15 110.10 107.48 -94.27 110.81 99.92 0.06 0.02 99.84 0.07 0.04 0.01 0.00 0.00 0.03 0.01