# 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 106.62 4.64 13.76 19.40 106.58 145.63 -84.29 87.64 99.00 0.34 0.66 98.96 0.09 0.12 0.58 0.02 0.00 0.10 0.12 1 I H H 96.37 5.16 11.21 17.53 97.43 90.09 -70.10 -34.37 25.26 0.47 74.27 23.19 0.67 2.40 72.61 0.79 0.00 0.20 0.14 2 T H H 87.88 3.25 11.40 15.93 94.28 57.58 -66.35 -39.16 9.45 0.33 90.22 6.04 1.01 2.52 89.15 1.01 0.00 0.20 0.08 3 L H H 112.57 1.27 13.66 14.33 93.47 50.96 -66.05 -39.59 3.62 0.14 96.25 1.79 0.41 1.44 95.10 1.12 0.00 0.12 0.02 4 L H H 86.73 3.37 13.59 17.79 92.99 50.58 -66.42 -40.26 1.83 0.05 98.12 0.77 0.21 0.84 97.35 0.77 0.00 0.04 0.01 5 V H H 54.30 8.36 12.09 21.77 92.84 50.82 -65.37 -41.46 1.28 0.02 98.69 0.46 0.14 0.64 98.45 0.30 0.00 0.02 0.00 6 A H H 60.65 2.97 15.79 19.12 92.25 51.29 -64.15 -41.21 0.77 0.01 99.22 0.22 0.07 0.38 99.21 0.12 0.00 0.00 0.00 7 L H H 96.01 1.69 17.17 17.82 92.06 50.54 -64.54 -41.69 0.34 0.00 99.66 0.08 0.02 0.17 99.67 0.06 0.00 0.00 0.00 8 L H H 65.96 7.57 14.83 23.40 92.19 49.87 -65.15 -41.31 0.21 0.00 99.78 0.04 0.01 0.12 99.79 0.04 0.00 0.00 0.00 9 V H H 62.68 8.24 14.92 24.11 92.04 50.19 -64.42 -41.61 0.21 0.00 99.78 0.04 0.01 0.12 99.79 0.04 0.00 0.00 0.00 10 L H H 104.73 1.67 18.59 18.94 91.70 50.02 -64.40 -41.71 0.27 0.00 99.73 0.04 0.01 0.16 99.74 0.05 0.00 0.00 0.00 11 I H H 93.28 2.76 18.03 20.52 91.95 48.54 -65.08 -41.79 0.68 0.00 99.32 0.09 0.04 0.46 99.31 0.10 0.00 0.00 0.00 12 S H H 28.84 11.20 13.77 26.20 92.33 50.27 -64.81 -40.99 2.52 0.01 97.47 0.26 0.13 1.91 97.48 0.20 0.00 0.00 0.00 13 L H H 83.22 5.29 17.02 23.17 91.85 51.11 -63.71 -41.15 1.79 0.00 98.20 0.20 0.14 1.24 98.05 0.37 0.00 0.00 0.00 14 G H H 42.04 1.94 18.29 19.32 91.76 51.42 -64.46 -40.31 1.68 0.00 98.32 0.21 0.11 1.14 97.69 0.85 0.00 0.00 0.00 15 L H H 77.06 6.25 15.63 22.91 92.59 49.89 -67.27 -37.87 1.90 0.00 98.09 0.17 0.10 1.46 96.64 1.62 0.00 0.00 0.00 16 V H H 61.96 9.54 14.54 24.85 93.04 50.96 -66.76 -39.56 3.24 0.01 96.75 0.21 0.17 2.74 94.97 1.88 0.01 0.00 0.00 17 V H H 93.47 2.59 17.51 19.93 93.78 47.21 -70.01 -38.02 15.84 0.03 84.13 0.45 0.62 15.21 81.63 2.02 0.03 0.01 0.02 18 T H H 75.00 3.07 16.87 20.12 94.34 48.38 -72.01 -36.10 19.09 0.03 80.88 0.81 1.00 17.23 79.54 1.37 0.02 0.01 0.02 19 V H H 51.62 9.33 14.06 24.58 92.57 55.34 -64.24 -43.23 5.76 0.02 94.22 1.79 1.08 2.66 92.27 2.16 0.00 0.01 0.01 20 P H H 63.14 5.88 15.65 22.87 92.12 51.18 -63.87 -39.70 3.40 0.03 96.58 1.01 0.37 1.85 93.03 3.71 0.00 0.02 0.01 21 V H H 90.77 2.02 17.38 18.88 92.37 50.13 -65.17 -40.58 1.79 0.02 98.19 0.35 0.19 1.12 93.75 4.56 0.00 0.01 0.00 22 A H H 49.78 5.70 14.72 21.83 92.60 50.99 -66.18 -39.38 3.37 0.02 96.60 0.48 0.34 2.36 92.37 4.42 0.01 0.01 0.01 23 L H H 81.20 8.24 13.13 22.45 92.70 51.36 -73.33 -23.68 21.17 0.12 78.71 1.94 1.78 17.34 74.91 3.85 0.05 0.05 0.07 24 A C T 73.85 3.51 13.41 18.10 94.39 60.74 -81.86 -10.44 59.75 0.55 39.70 12.08 10.13 37.33 37.03 2.81 0.04 0.19 0.39 25 T C S 72.14 4.59 10.13 16.79 117.07 92.86 -88.03 136.94 96.90 0.87 2.23 39.78 53.88 3.17 1.73 0.50 0.00 0.27 0.67 26 P C T 111.24 1.68 11.97 14.44 108.90 -104.49 -66.56 139.05 79.83 0.73 19.44 29.61 19.01 32.02 10.13 8.42 0.00 0.31 0.51 27 G C T 52.82 2.03 12.90 15.68 114.73 30.31 94.70 -157.62 74.89 0.59 24.52 18.50 21.83 35.62 14.03 9.30 0.01 0.23 0.49 28 E C C 117.54 3.27 12.60 16.87 100.12 9.06 -79.72 -3.26 63.17 0.49 36.34 41.34 8.08 13.49 27.93 8.63 0.00 0.20 0.33 29 W H H 120.06 7.75 10.26 19.58 94.06 100.89 -63.39 -39.22 15.01 0.11 84.87 8.46 2.68 4.62 78.70 5.44 0.00 0.05 0.05 30 E H H 128.53 1.72 15.46 17.09 92.50 52.34 -64.98 -40.13 6.99 0.05 92.95 2.52 1.05 3.38 87.32 5.67 0.01 0.03 0.02 31 I H H 103.11 1.78 16.60 17.68 92.55 48.90 -66.38 -40.01 6.11 0.06 93.83 2.02 0.84 3.14 87.80 6.14 0.00 0.03 0.02 32 A H H 28.83 8.62 12.78 23.52 92.61 50.66 -65.56 -40.09 7.77 0.05 92.18 2.73 1.12 3.86 87.83 4.41 0.00 0.03 0.02 33 K H H 98.33 6.23 15.80 23.15 92.00 53.18 -63.25 -40.34 9.16 0.06 90.78 2.79 1.21 5.11 88.48 2.35 0.01 0.03 0.03 34 G H H 37.60 2.22 17.56 19.39 92.07 50.30 -64.01 -41.17 12.56 0.06 87.38 3.31 1.40 7.59 85.43 2.19 0.01 0.03 0.04 35 K H H 106.16 3.36 17.15 20.87 92.34 49.85 -65.67 -41.07 8.44 0.10 91.46 2.69 1.28 4.58 89.27 2.07 0.01 0.05 0.05 36 F H H 78.35 8.88 14.51 24.50 92.13 50.38 -64.45 -42.20 4.69 0.12 95.18 1.61 0.72 2.48 93.83 1.23 0.01 0.07 0.04 37 N H H 85.69 3.91 16.70 21.22 92.08 49.71 -65.07 -40.35 4.19 0.10 95.70 1.33 0.54 2.36 94.38 1.27 0.01 0.07 0.03 38 R H H 141.21 1.64 17.92 18.54 92.34 49.97 -65.25 -40.73 4.12 0.05 95.82 0.69 0.46 2.91 94.61 1.25 0.02 0.03 0.02 39 F H H 94.49 5.36 16.17 22.47 92.46 49.14 -65.43 -41.30 4.41 0.04 95.56 0.56 0.43 3.37 94.62 0.97 0.01 0.02 0.02 40 F H H 79.90 8.14 14.85 24.21 92.15 50.11 -64.85 -40.94 1.85 0.01 98.15 0.40 0.20 1.14 97.87 0.39 0.00 0.00 0.00 41 Q H H 100.18 2.78 17.53 20.35 92.01 52.07 -64.03 -40.84 0.78 0.00 99.22 0.12 0.05 0.51 99.06 0.25 0.00 0.00 0.00 42 I H H 92.79 2.74 17.93 20.45 92.12 49.69 -64.84 -41.41 0.58 0.00 99.42 0.08 0.03 0.39 99.22 0.27 0.00 0.00 0.00 43 W H H 96.62 8.83 15.44 25.11 92.35 49.53 -65.76 -40.53 0.49 0.00 99.51 0.09 0.03 0.31 99.36 0.21 0.00 0.00 0.00 44 V H H 67.32 5.90 16.68 23.63 91.88 51.47 -64.29 -41.44 0.29 0.00 99.71 0.03 0.01 0.20 99.68 0.08 0.00 0.00 0.00 45 F H H 118.76 2.04 18.83 20.01 91.77 50.78 -64.41 -41.17 0.22 0.00 99.78 0.03 0.01 0.15 99.77 0.05 0.00 0.00 0.00 46 L H H 69.39 6.85 16.82 24.46 92.13 50.43 -65.41 -41.25 0.17 0.00 99.83 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 47 V H H 57.50 9.13 15.96 26.07 91.96 50.21 -64.22 -42.24 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 48 I H H 98.37 2.78 18.84 21.32 91.94 49.38 -64.37 -42.12 0.13 0.00 99.87 0.01 0.00 0.07 99.88 0.02 0.00 0.00 0.00 49 V H H 79.09 3.12 18.62 21.60 91.90 48.74 -64.66 -42.25 0.25 0.00 99.75 0.03 0.01 0.15 99.76 0.05 0.00 0.00 0.00 50 I H H 55.44 9.06 15.40 25.62 92.09 49.08 -64.42 -42.02 0.51 0.00 99.49 0.06 0.03 0.33 99.48 0.10 0.00 0.00 0.00 51 A H H 47.32 5.86 15.81 23.03 91.95 50.91 -63.58 -41.27 1.59 0.00 98.41 0.18 0.10 1.11 98.31 0.30 0.00 0.00 0.00 52 A H H 67.52 1.66 17.28 17.92 91.91 50.14 -64.97 -40.60 4.05 0.01 95.94 0.51 0.31 2.95 95.50 0.71 0.00 0.00 0.00 53 A H H 56.52 4.16 14.42 19.44 93.03 50.42 -67.15 -38.30 8.01 0.05 91.94 1.49 0.98 5.45 90.71 1.32 0.01 0.02 0.03 54 D H H 77.69 6.15 11.87 19.36 94.42 53.86 -70.27 -30.56 20.39 0.13 79.49 4.37 2.35 13.63 76.71 2.79 0.02 0.05 0.07 55 G H H 50.98 2.39 11.82 15.29 95.47 58.87 -71.12 -27.27 36.60 0.35 63.05 8.47 4.52 23.91 57.86 4.83 0.05 0.16 0.19 56 I H H 133.55 1.45 10.10 12.25 99.15 56.25 -80.41 -14.96 46.87 1.94 51.18 17.07 8.42 23.25 44.61 4.71 0.12 0.98 0.85 57 S C C 83.40 2.50 8.28 12.34 104.17 68.54 -86.89 13.13 66.00 2.78 31.22 44.68 2.57 17.53 30.11 2.39 0.01 1.44 1.28 58 S C C 85.08 2.54 10.95 15.05 108.08 79.90 -90.07 93.60 99.90 0.07 0.03 99.83 0.05 0.05 0.02 0.00 0.00 0.03 0.01