# 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 126.30 4.00 10.05 15.99 117.83 -163.04 -99.74 129.15 99.91 0.09 0.00 99.90 0.04 0.01 0.00 0.00 0.00 0.04 0.01 1 F C C 146.28 2.66 8.49 13.07 116.66 -158.26 -100.75 131.34 88.03 11.44 0.53 88.46 0.65 0.42 0.26 0.15 0.00 7.34 2.72 2 R C C 176.72 1.61 8.13 11.37 113.95 -139.22 -90.49 128.67 84.36 14.18 1.46 78.04 4.15 1.87 0.55 0.85 0.00 10.92 3.63 3 I C C 122.80 3.22 6.41 11.48 109.76 -159.36 -95.28 113.20 87.19 7.59 5.22 74.13 8.04 4.46 1.45 4.02 0.00 4.36 3.55 4 E C T 155.88 1.13 8.42 10.54 109.93 -137.18 -83.94 123.52 86.32 3.24 10.43 19.27 16.53 50.37 1.36 9.19 0.00 1.78 1.49 5 G C T 62.96 1.01 9.12 10.66 106.12 11.27 66.42 16.88 90.34 0.99 8.67 18.73 19.82 51.33 0.98 8.14 0.00 0.53 0.47 6 L C C 122.00 2.60 7.27 11.57 109.80 105.40 -91.57 108.89 91.20 2.10 6.70 65.47 18.41 6.33 1.33 5.89 0.00 0.83 1.74 7 A C C 73.40 2.98 8.00 12.83 116.36 -133.55 -85.81 146.50 97.01 1.08 1.91 81.15 13.48 2.26 0.50 1.39 0.00 0.46 0.75 8 P C C 106.66 2.27 8.90 12.84 110.46 -103.51 -69.91 141.86 95.90 0.74 3.36 60.13 17.70 17.47 0.47 3.48 0.00 0.40 0.35 9 K C C 165.56 1.13 9.43 11.51 113.44 -118.85 -92.26 131.85 95.69 1.22 3.09 63.73 15.71 15.69 0.51 3.03 0.00 0.59 0.75 10 L C C 103.95 5.08 6.77 13.65 115.62 -130.65 -88.68 137.67 97.81 1.13 1.07 79.75 16.90 0.92 0.51 0.44 0.00 0.32 1.16 11 D C C 88.56 2.25 10.58 13.92 111.71 -124.42 -83.96 132.29 99.77 0.08 0.15 98.11 1.62 0.09 0.10 0.01 0.00 0.02 0.04 12 P H H 99.83 2.01 9.91 13.21 92.94 -131.17 -60.65 -35.14 5.53 0.01 94.46 1.58 0.78 3.02 93.67 0.92 0.00 0.01 0.01 13 E H H 131.98 0.95 11.82 12.22 92.47 53.58 -65.39 -39.74 2.56 0.01 97.44 0.43 0.28 1.67 96.78 0.82 0.00 0.00 0.00 14 E H H 100.97 2.10 11.86 14.71 92.45 49.15 -65.90 -40.14 1.44 0.01 98.56 0.39 0.17 0.78 97.76 0.89 0.00 0.00 0.00 15 M H H 90.54 2.72 11.76 15.74 92.05 50.79 -64.25 -40.97 1.01 0.00 98.99 0.33 0.11 0.47 98.69 0.39 0.00 0.00 0.00 16 K H H 121.00 1.51 13.84 15.03 92.02 50.35 -64.20 -40.77 1.15 0.00 98.84 0.27 0.10 0.64 98.74 0.24 0.00 0.00 0.00 17 R H H 136.01 1.47 14.09 15.14 91.94 50.04 -64.51 -40.69 2.29 0.00 97.70 0.34 0.16 1.53 97.67 0.30 0.00 0.00 0.00 18 K H H 115.73 1.90 14.07 16.09 91.94 50.05 -64.42 -40.63 3.14 0.01 96.86 0.63 0.29 1.97 96.71 0.39 0.00 0.00 0.00 19 M H H 101.70 1.85 14.45 16.20 91.96 50.34 -64.36 -41.17 1.81 0.00 98.19 0.57 0.18 0.88 98.12 0.25 0.00 0.00 0.00 20 R H H 138.45 1.49 14.72 15.65 91.92 50.14 -64.54 -40.61 1.19 0.00 98.81 0.30 0.10 0.63 98.77 0.20 0.00 0.00 0.00 21 E H H 108.10 1.91 14.65 16.53 91.91 50.37 -64.79 -40.81 0.72 0.00 99.28 0.17 0.07 0.38 99.26 0.13 0.00 0.00 0.00 22 D H H 84.83 2.10 14.65 16.90 92.12 50.50 -64.91 -40.56 0.69 0.00 99.31 0.15 0.06 0.37 99.30 0.12 0.00 0.00 0.00 23 V H H 85.47 1.82 15.23 16.70 92.03 49.67 -64.44 -42.28 0.81 0.00 99.18 0.18 0.08 0.45 99.15 0.14 0.00 0.00 0.00 24 I H H 97.43 1.80 15.68 16.99 92.00 48.94 -64.86 -41.51 0.93 0.00 99.06 0.18 0.09 0.55 99.02 0.17 0.00 0.00 0.00 25 S H H 55.17 2.46 14.73 17.72 91.91 50.55 -64.17 -41.08 1.74 0.00 98.26 0.36 0.18 1.01 98.19 0.25 0.00 0.00 0.00 26 S H H 58.50 2.40 14.47 17.38 92.06 50.58 -64.58 -40.63 2.43 0.00 97.56 0.43 0.22 1.59 97.41 0.33 0.00 0.00 0.00 27 I H H 101.73 1.73 15.40 16.62 92.00 49.93 -65.15 -41.13 1.74 0.00 98.26 0.26 0.17 1.21 98.09 0.27 0.00 0.00 0.00 28 R H H 139.82 1.65 15.24 16.48 92.21 50.34 -65.26 -40.57 2.31 0.01 97.68 0.35 0.24 1.65 97.51 0.24 0.00 0.00 0.00 29 N H H 85.27 2.38 14.34 17.19 92.40 50.03 -65.71 -40.98 4.44 0.02 95.54 0.81 0.29 3.15 95.50 0.25 0.00 0.01 0.01 30 F H H 120.56 1.95 14.45 16.48 92.00 50.53 -64.57 -41.22 0.65 0.00 99.35 0.11 0.05 0.45 99.28 0.11 0.00 0.00 0.00 31 L H H 99.29 1.74 14.71 16.25 92.06 50.19 -64.89 -41.32 0.13 0.00 99.87 0.01 0.01 0.08 99.83 0.06 0.00 0.00 0.00 32 I H H 99.93 1.81 14.83 16.41 92.16 49.69 -64.89 -41.74 0.10 0.00 99.90 0.00 0.00 0.07 99.86 0.06 0.00 0.00 0.00 33 Y H H 129.43 1.94 14.73 16.67 92.27 48.98 -65.28 -41.60 0.24 0.00 99.76 0.01 0.01 0.20 99.70 0.08 0.00 0.00 0.00 34 V H H 79.51 2.15 14.42 16.85 92.07 49.76 -64.71 -41.93 0.47 0.00 99.53 0.01 0.02 0.41 99.49 0.06 0.00 0.00 0.00 35 A H H 56.31 2.36 13.73 16.81 91.75 50.88 -63.53 -41.53 0.41 0.00 99.59 0.02 0.01 0.33 99.46 0.18 0.00 0.00 0.00 36 L H H 100.04 1.90 13.88 15.97 91.84 50.18 -64.81 -39.98 0.46 0.00 99.54 0.02 0.01 0.40 98.91 0.67 0.00 0.00 0.00 37 L H H 106.85 1.72 13.95 15.68 92.24 50.66 -66.47 -37.49 1.55 0.00 98.44 0.03 0.03 1.55 96.75 1.64 0.00 0.00 0.00 38 R H H 152.39 1.63 13.90 15.50 93.06 49.94 -70.85 -31.66 13.99 0.00 86.01 0.11 0.20 14.92 83.01 1.75 0.00 0.00 0.00 39 V H H 83.97 2.75 13.36 16.90 95.82 45.63 -81.43 -27.58 18.57 0.01 81.42 0.34 0.70 17.95 79.69 1.30 0.01 0.00 0.01 40 T H H 66.68 3.23 12.57 17.28 92.77 64.81 -61.12 -43.03 2.25 0.00 97.74 0.73 0.25 0.95 97.55 0.51 0.00 0.00 0.00 41 P H H 77.14 1.84 14.42 16.23 91.88 51.11 -64.52 -39.80 0.82 0.00 99.18 0.18 0.05 0.46 98.80 0.52 0.00 0.00 0.00 42 F H H 118.55 1.69 14.17 15.66 92.41 50.39 -64.80 -41.28 0.19 0.00 99.81 0.03 0.01 0.11 99.51 0.34 0.00 0.00 0.00 43 I H H 91.47 2.12 13.16 15.82 92.20 49.35 -64.75 -41.78 0.17 0.00 99.83 0.03 0.01 0.09 99.73 0.14 0.00 0.00 0.00 44 L H H 95.91 1.68 12.68 14.59 91.83 50.08 -64.53 -40.84 0.39 0.00 99.61 0.06 0.02 0.23 99.52 0.17 0.00 0.00 0.00 45 K H H 128.36 1.25 12.58 13.56 92.07 50.87 -64.80 -40.00 1.41 0.00 98.59 0.19 0.09 0.96 98.37 0.38 0.00 0.00 0.00 46 K H H 130.07 1.36 11.47 13.00 92.49 50.27 -66.07 -38.94 3.90 0.01 96.09 0.52 0.30 2.81 95.39 0.97 0.00 0.00 0.00 47 L H H 112.64 1.54 9.75 12.05 93.03 51.36 -67.56 -34.76 9.31 0.03 90.66 1.47 0.90 6.52 89.32 1.75 0.01 0.01 0.01 48 D H H 117.52 0.98 9.31 10.66 94.97 54.63 -75.88 -18.22 35.31 0.14 64.56 5.69 3.14 25.88 63.07 2.06 0.02 0.05 0.10 49 S C T 87.78 1.24 8.12 10.25 99.50 62.97 -83.07 -2.04 67.62 0.23 32.16 27.20 1.66 36.40 32.63 1.86 0.00 0.09 0.15 50 I C C 122.81 2.59 9.58 13.73 104.01 88.85 -84.29 27.10 99.94 0.03 0.03 99.83 0.08 0.05 0.02 0.00 0.00 0.01 0.00