# 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 109.71 5.83 10.70 18.18 116.77 -146.45 -91.55 134.61 99.98 0.02 0.01 99.90 0.07 0.02 0.00 0.00 0.00 0.00 0.00 1 P C C 88.53 3.84 9.75 15.35 112.87 -107.79 -67.95 149.22 86.01 0.41 13.58 81.72 0.70 4.75 11.04 1.40 0.00 0.19 0.19 2 E C C 150.11 1.53 9.43 12.15 107.50 -117.38 -81.19 106.20 69.08 2.63 28.29 52.44 7.66 7.83 26.06 3.50 0.00 1.33 1.18 3 V C H 92.74 4.54 8.05 14.30 110.89 -132.89 -89.42 127.49 53.49 2.78 43.74 40.38 7.88 5.24 41.02 3.03 0.00 1.65 0.79 4 S H H 63.72 3.01 10.90 15.13 112.09 -123.45 -81.17 152.89 47.02 1.53 51.45 39.42 3.93 3.83 49.53 2.05 0.00 0.82 0.42 5 E H H 128.85 2.61 11.22 15.08 94.27 -110.22 -64.57 -35.87 9.90 0.23 89.88 5.51 1.77 3.18 88.01 1.34 0.01 0.11 0.07 6 F H H 135.01 1.43 12.74 14.06 93.20 52.20 -66.15 -40.24 4.08 0.10 95.82 1.82 0.62 1.82 94.69 0.96 0.00 0.06 0.03 7 A H H 50.68 3.23 12.48 17.21 92.41 50.81 -64.84 -41.09 1.67 0.03 98.30 0.78 0.22 0.71 97.79 0.47 0.00 0.02 0.01 8 F H H 101.52 3.87 12.86 18.17 92.41 50.69 -64.93 -41.18 0.74 0.01 99.24 0.32 0.09 0.33 99.07 0.18 0.00 0.00 0.00 9 R H H 137.26 2.07 14.87 17.20 92.21 50.49 -64.40 -41.08 0.47 0.01 99.52 0.17 0.05 0.23 99.45 0.09 0.00 0.00 0.00 10 L H H 98.55 1.97 15.36 17.23 92.24 49.44 -65.27 -41.29 0.42 0.00 99.58 0.13 0.04 0.22 99.54 0.07 0.00 0.00 0.00 11 M H H 95.17 3.40 15.17 19.41 92.11 49.62 -65.32 -41.29 0.40 0.00 99.60 0.10 0.03 0.21 99.61 0.05 0.00 0.00 0.00 12 M H H 94.32 3.35 15.71 19.81 91.92 49.92 -64.79 -40.90 0.38 0.00 99.62 0.08 0.02 0.21 99.64 0.04 0.00 0.00 0.00 13 A H H 55.65 2.59 16.12 19.03 91.89 50.90 -64.11 -41.20 0.41 0.00 99.59 0.08 0.03 0.24 99.61 0.05 0.00 0.00 0.00 14 A H H 54.18 3.00 15.90 19.55 92.15 50.57 -64.92 -41.14 0.59 0.00 99.41 0.10 0.04 0.37 99.40 0.08 0.00 0.00 0.00 15 V H H 76.57 3.59 15.76 20.11 92.24 49.01 -65.47 -41.59 0.85 0.01 99.13 0.16 0.07 0.53 99.08 0.14 0.00 0.00 0.00 16 I H H 95.98 2.68 15.93 18.95 92.28 49.03 -64.89 -42.10 1.72 0.03 98.26 0.32 0.15 1.12 98.10 0.29 0.00 0.01 0.00 17 F H H 125.72 2.09 16.17 18.08 92.44 49.23 -65.85 -40.75 4.77 0.06 95.17 0.82 0.42 3.31 94.80 0.59 0.01 0.03 0.02 18 V H H 83.76 2.70 15.84 18.82 92.24 48.48 -66.15 -41.03 10.29 0.12 89.60 1.50 1.09 7.56 88.79 0.91 0.04 0.05 0.05 19 G H H 33.51 3.96 15.10 20.27 92.62 50.15 -65.34 -40.54 19.23 0.17 80.60 3.94 2.23 12.77 79.57 1.31 0.03 0.07 0.08 20 V H H 81.50 2.87 15.80 19.06 92.42 48.81 -65.92 -40.96 18.87 0.27 80.86 3.56 2.62 12.78 78.80 1.90 0.07 0.12 0.14 21 G H H 36.67 2.97 15.55 19.16 92.61 50.71 -64.99 -41.20 17.45 0.35 82.20 5.06 2.56 10.34 79.34 2.33 0.05 0.20 0.13 22 I H H 93.06 2.81 15.59 18.78 92.84 47.74 -66.13 -41.33 10.21 0.60 89.20 4.04 1.78 5.22 85.22 3.06 0.06 0.45 0.16 23 M H H 100.16 3.00 15.35 18.93 92.66 48.86 -65.72 -41.29 7.26 0.72 92.01 2.68 1.25 3.96 87.27 3.98 0.08 0.63 0.15 24 F H H 120.33 2.46 15.36 18.09 92.95 47.80 -66.28 -40.48 8.96 0.90 90.14 2.67 1.45 5.37 84.34 5.06 0.14 0.77 0.20 25 A H H 60.16 3.07 14.54 18.42 92.56 51.43 -65.96 -39.96 14.02 0.60 85.38 3.23 1.90 9.25 80.31 4.55 0.12 0.46 0.17 26 F H H 123.70 2.72 14.67 17.83 94.14 48.39 -69.67 -37.41 24.47 1.18 74.34 6.25 4.04 15.26 69.03 4.06 0.20 0.73 0.43 27 A H H 63.67 3.10 14.22 18.08 94.39 53.40 -67.69 -37.19 39.62 0.96 59.42 9.08 6.34 24.78 55.33 3.41 0.13 0.49 0.45 28 G C H 43.58 2.87 14.95 18.29 96.66 49.03 -69.07 -28.76 55.53 0.57 43.90 11.81 8.24 35.19 40.77 3.39 0.04 0.25 0.31 29 G H H 33.75 5.60 13.22 20.27 96.84 55.52 -67.58 -35.35 47.19 0.72 52.09 23.42 9.46 15.08 47.18 4.17 0.02 0.30 0.36 30 H H H 124.06 3.18 14.03 18.11 94.48 52.92 -66.79 -37.56 20.65 0.54 78.82 7.91 4.12 9.90 72.66 4.84 0.06 0.30 0.23 31 W H H 170.25 1.52 15.60 16.47 92.97 51.71 -66.95 -39.85 12.77 0.68 86.55 4.79 2.14 6.57 81.16 4.55 0.08 0.51 0.19 32 F H H 106.75 3.67 15.31 19.75 93.18 48.44 -66.91 -41.22 6.21 0.47 93.32 2.57 1.02 3.05 89.96 2.86 0.04 0.39 0.11 33 V H H 67.36 5.99 14.75 22.03 92.50 50.37 -65.00 -41.44 2.66 0.14 97.21 0.81 0.39 1.56 95.92 1.17 0.02 0.10 0.03 34 G H H 36.35 3.67 16.00 20.52 92.25 51.19 -64.43 -41.05 2.93 0.06 97.01 0.63 0.33 1.99 95.92 1.05 0.01 0.04 0.02 35 L H H 100.73 2.12 17.45 19.07 92.59 48.80 -66.35 -41.06 3.59 0.05 96.36 0.54 0.37 2.73 95.39 0.90 0.02 0.03 0.02 36 V H H 73.08 4.53 16.78 22.03 93.15 47.13 -66.03 -42.84 4.58 0.07 95.34 0.59 0.50 3.51 94.73 0.57 0.04 0.03 0.03 37 V H H 68.60 5.89 16.54 23.40 92.74 46.43 -65.55 -41.63 4.17 0.04 95.79 0.61 0.48 2.96 95.47 0.42 0.01 0.01 0.02 38 G H H 36.49 3.24 17.13 20.86 91.94 51.00 -63.95 -41.09 3.20 0.01 96.79 0.41 0.30 2.25 96.64 0.38 0.00 0.00 0.00 39 G H H 37.26 2.97 17.41 20.58 92.39 50.43 -65.14 -41.12 2.48 0.01 97.51 0.31 0.20 1.73 97.41 0.33 0.00 0.00 0.00 40 L H H 82.49 4.50 16.81 22.06 92.47 49.15 -65.57 -41.92 0.90 0.00 99.09 0.17 0.08 0.53 98.98 0.23 0.00 0.00 0.00 41 V H H 73.87 4.02 16.61 21.56 92.00 48.94 -64.23 -42.34 0.49 0.00 99.51 0.09 0.04 0.27 99.41 0.19 0.00 0.00 0.00 42 A H H 58.37 2.27 16.73 18.89 91.73 50.39 -63.61 -41.37 0.42 0.00 99.57 0.05 0.02 0.27 99.39 0.26 0.00 0.00 0.00 43 A H H 56.39 2.78 15.49 18.80 92.05 50.57 -64.74 -41.33 0.70 0.00 99.30 0.06 0.04 0.52 98.83 0.56 0.00 0.00 0.00 44 F H H 110.15 3.92 14.34 19.40 92.35 49.57 -64.92 -40.94 1.65 0.01 98.35 0.12 0.09 1.31 97.48 0.99 0.00 0.00 0.00 45 F H H 127.47 2.68 13.77 17.35 92.77 49.78 -66.95 -36.78 6.10 0.03 93.87 0.54 0.43 4.91 92.67 1.42 0.01 0.01 0.01 46 A H H 80.09 1.60 13.06 14.85 93.44 55.35 -70.86 -25.36 26.70 0.16 73.14 3.11 2.54 20.55 71.97 1.64 0.04 0.06 0.10 47 A C H 76.58 2.64 10.75 14.62 98.03 61.09 -83.35 -6.78 58.73 1.08 40.19 15.56 11.02 32.67 37.51 2.18 0.06 0.38 0.61 48 T C S 83.48 4.15 8.72 14.88 115.48 101.08 -92.48 129.88 96.86 1.56 1.58 39.27 55.85 1.85 1.30 0.31 0.00 0.52 0.90 49 P C C 97.90 2.66 9.34 13.81 112.46 -112.94 -68.12 146.74 95.04 1.92 3.04 79.39 8.68 7.02 1.33 1.51 0.00 1.04 1.02 50 N C C 125.71 1.95 7.99 11.76 110.22 -118.15 -82.72 124.05 92.71 2.92 4.38 61.91 15.26 15.54 1.42 2.77 0.00 1.50 1.59 51 S C C 89.28 1.98 7.57 11.25 107.53 -158.65 -90.64 85.87 95.22 2.00 2.78 84.15 2.83 8.67 0.80 1.48 0.00 1.15 0.92 52 N C C 129.09 1.60 10.33 12.91 103.74 -145.27 -88.17 49.96 99.93 0.05 0.02 99.76 0.12 0.07 0.00 0.00 0.00 0.02 0.01