# 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 S C C 73.56 3.62 11.27 16.36 115.77 -143.41 -91.99 148.62 99.94 0.04 0.02 99.86 0.07 0.04 0.01 0.00 0.00 0.01 0.01 1 S C C 83.91 2.65 8.87 13.01 101.34 -131.27 -81.15 -11.45 75.10 0.80 24.11 64.95 1.96 10.92 8.76 12.53 0.00 0.42 0.46 2 G C C 53.20 2.51 8.48 12.46 98.61 69.99 -72.08 -26.38 63.13 1.17 35.70 29.41 11.86 22.41 8.32 26.75 0.00 0.56 0.67 3 A C C 87.31 1.58 8.80 11.45 98.07 62.91 -76.28 -18.41 62.26 1.32 36.41 29.84 13.30 19.64 8.79 27.07 0.00 0.64 0.71 4 L C C 130.49 1.47 8.80 11.20 99.64 61.05 -84.55 -11.90 68.70 1.76 29.55 35.79 17.60 16.19 8.72 19.85 0.01 0.81 1.04 5 L C C 103.99 3.89 7.43 13.15 113.25 78.96 -90.05 129.46 96.63 0.98 2.39 48.31 46.95 1.54 1.47 0.71 0.00 0.30 0.72 6 P C C 103.10 1.92 10.23 13.29 110.73 -111.47 -72.25 143.57 97.39 0.72 1.88 87.16 8.70 1.56 1.24 0.51 0.00 0.26 0.57 7 K C C 145.41 2.65 9.03 13.56 115.13 -107.38 -89.10 137.89 96.81 0.43 2.75 84.02 11.66 1.05 2.28 0.49 0.00 0.14 0.38 8 P C C 83.75 4.60 8.96 15.37 112.76 -103.53 -67.41 147.67 85.80 0.58 13.62 77.73 3.84 5.04 8.75 4.02 0.00 0.25 0.37 9 Q C C 136.14 1.77 10.51 13.39 104.40 -123.02 -75.69 31.20 71.49 1.29 27.22 44.52 14.67 12.84 18.28 8.26 0.00 0.51 0.91 10 M C C 123.25 3.27 9.00 13.76 104.47 54.60 -82.70 23.26 61.18 1.91 36.91 33.19 15.35 13.96 25.36 10.12 0.03 0.76 1.23 11 R H H 166.58 2.01 10.71 13.87 102.93 112.85 -67.31 87.77 49.52 0.76 49.72 10.57 10.51 29.19 42.72 6.02 0.13 0.32 0.54 12 G H H 46.20 2.78 12.29 16.02 98.07 12.79 74.83 -4.79 46.07 0.34 53.58 12.58 7.47 26.60 49.18 3.75 0.04 0.13 0.26 13 L H H 87.18 3.06 11.46 15.98 94.05 101.00 -65.30 -39.90 9.08 0.08 90.84 4.04 1.62 3.82 88.15 2.28 0.01 0.03 0.04 14 L H H 96.19 2.45 12.92 16.11 92.70 50.49 -65.22 -40.42 3.95 0.03 96.02 1.13 0.54 2.28 94.21 1.80 0.01 0.01 0.01 15 A H H 58.57 2.08 13.52 16.01 91.78 50.36 -64.66 -41.06 2.56 0.01 97.42 0.67 0.31 1.49 95.96 1.55 0.00 0.01 0.00 16 K H H 118.11 1.73 14.59 16.10 91.89 50.31 -64.83 -40.82 2.13 0.01 97.86 0.50 0.23 1.28 96.87 1.12 0.00 0.00 0.00 17 R H H 129.14 2.38 13.77 16.75 91.92 50.35 -65.15 -40.67 2.05 0.01 97.94 0.38 0.19 1.34 97.00 1.08 0.00 0.00 0.00 18 L H H 91.90 2.63 13.47 16.97 91.76 51.09 -64.81 -40.08 1.64 0.01 98.36 0.36 0.15 0.98 97.51 1.01 0.00 0.00 0.00 19 R H H 149.10 1.41 14.87 15.72 92.23 50.79 -64.81 -40.28 1.97 0.01 98.02 0.35 0.16 1.28 96.98 1.23 0.00 0.00 0.00 20 V H H 90.40 1.81 15.03 16.47 92.84 48.32 -66.24 -40.20 3.96 0.01 96.03 0.42 0.28 3.05 95.04 1.19 0.01 0.01 0.00 21 H H H 100.12 3.60 13.48 18.25 93.12 48.97 -67.12 -39.87 6.16 0.02 93.82 0.86 0.44 4.49 93.36 0.83 0.00 0.01 0.01 22 I H H 96.72 2.51 14.77 17.78 92.23 50.97 -64.33 -41.67 1.10 0.00 98.89 0.23 0.10 0.60 98.88 0.18 0.00 0.00 0.00 23 A H H 65.67 1.41 16.42 16.59 91.71 49.37 -64.06 -41.92 0.34 0.00 99.66 0.04 0.02 0.21 99.62 0.12 0.00 0.00 0.00 24 G H H 36.27 2.40 15.38 18.03 92.04 49.49 -64.65 -40.90 0.26 0.00 99.74 0.02 0.01 0.17 99.69 0.10 0.00 0.00 0.00 25 A H H 49.52 4.02 13.51 19.13 91.96 50.98 -64.09 -40.69 0.18 0.00 99.82 0.01 0.01 0.11 99.81 0.06 0.00 0.00 0.00 26 F H H 124.66 1.94 15.85 17.59 92.03 49.97 -65.02 -41.31 0.17 0.00 99.83 0.01 0.00 0.11 99.82 0.04 0.00 0.00 0.00 27 I H H 105.60 1.31 16.80 16.61 92.02 49.20 -64.74 -42.02 0.15 0.00 99.85 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 28 V H H 84.41 2.28 15.75 18.06 92.22 48.61 -65.00 -41.61 0.17 0.00 99.83 0.01 0.01 0.11 99.83 0.03 0.00 0.00 0.00 29 A H H 54.23 3.62 14.32 19.13 91.93 50.45 -64.17 -41.50 0.23 0.00 99.77 0.02 0.01 0.15 99.77 0.05 0.00 0.00 0.00 30 L H H 102.52 1.64 16.53 17.39 92.00 49.32 -64.96 -40.67 0.30 0.00 99.70 0.02 0.01 0.22 99.69 0.06 0.00 0.00 0.00 31 G H H 40.25 1.73 16.31 17.30 92.12 50.22 -64.58 -41.85 0.43 0.00 99.57 0.04 0.02 0.31 99.56 0.07 0.00 0.00 0.00 32 V H H 79.57 2.48 15.62 18.27 92.25 49.27 -64.97 -41.87 0.44 0.00 99.56 0.05 0.03 0.29 99.54 0.09 0.00 0.00 0.00 33 A H H 53.36 2.96 14.68 18.57 91.68 50.61 -63.33 -41.65 0.32 0.00 99.68 0.03 0.02 0.20 99.63 0.12 0.00 0.00 0.00 34 A H H 61.42 1.82 15.67 17.13 91.81 50.40 -63.84 -41.43 0.30 0.00 99.70 0.03 0.01 0.21 99.59 0.16 0.00 0.00 0.00 35 A H H 63.93 1.65 15.41 16.50 91.78 50.32 -64.48 -41.21 0.41 0.00 99.59 0.03 0.02 0.30 99.40 0.25 0.00 0.00 0.00 36 Y H H 132.81 2.07 14.26 16.59 92.17 49.67 -65.55 -40.87 0.86 0.00 99.13 0.06 0.05 0.70 98.84 0.36 0.00 0.00 0.00 37 K H H 119.82 2.44 13.67 16.86 92.18 49.98 -65.22 -40.40 1.83 0.00 98.16 0.11 0.11 1.53 97.80 0.43 0.01 0.00 0.00 38 F H H 137.45 1.55 13.85 15.23 93.16 47.45 -67.45 -39.02 4.04 0.01 95.95 0.18 0.26 3.64 95.19 0.70 0.02 0.00 0.00 39 G H H 44.98 1.85 13.68 15.55 94.70 46.93 -70.15 -37.14 12.82 0.02 87.17 0.41 0.75 11.95 85.43 1.39 0.04 0.01 0.01 40 V H H 95.22 2.13 13.50 15.93 98.38 38.72 -81.82 -34.21 40.11 0.07 59.83 0.88 2.55 36.24 58.26 1.92 0.06 0.02 0.06 41 A C H 57.29 4.30 11.63 17.54 98.09 49.27 -88.83 -11.04 55.25 0.23 44.52 6.46 8.78 38.74 43.46 2.24 0.04 0.07 0.21 42 E C C 88.23 4.81 11.42 18.14 106.94 104.42 -72.37 120.63 61.56 0.11 38.32 42.78 14.19 2.28 39.87 0.79 0.00 0.02 0.07 43 P H H 92.14 1.95 13.75 16.07 93.49 -142.69 -61.93 -37.56 6.37 0.01 93.62 1.55 0.84 3.81 91.75 2.03 0.01 0.00 0.01 44 R H H 148.48 1.75 13.74 15.75 92.18 51.69 -66.21 -38.51 3.52 0.01 96.48 0.68 0.35 2.24 94.79 1.93 0.00 0.00 0.00 45 K H H 102.81 4.07 13.29 18.79 92.14 50.71 -65.49 -40.28 1.07 0.00 98.93 0.29 0.12 0.55 98.05 0.99 0.00 0.00 0.00 46 K H H 120.58 2.14 15.55 17.85 91.64 50.73 -64.54 -40.79 0.53 0.00 99.46 0.13 0.06 0.27 99.30 0.24 0.00 0.00 0.00 47 A H H 55.55 2.13 15.55 17.72 91.51 50.51 -63.49 -41.52 0.43 0.00 99.57 0.06 0.03 0.26 99.51 0.14 0.00 0.00 0.00 48 Y H H 111.56 3.18 15.14 19.19 91.95 49.47 -64.43 -41.43 0.35 0.00 99.65 0.04 0.02 0.21 99.63 0.09 0.00 0.00 0.00 49 A H H 43.96 3.77 13.89 19.33 91.11 51.32 -62.97 -41.58 0.22 0.00 99.78 0.03 0.01 0.13 99.75 0.07 0.00 0.00 0.00 50 E H H 104.77 1.71 15.38 16.61 91.71 50.22 -64.56 -40.87 0.36 0.00 99.64 0.04 0.02 0.26 99.50 0.18 0.00 0.00 0.00 51 F H H 111.81 2.44 13.57 16.71 91.99 50.22 -64.49 -40.91 0.57 0.00 99.43 0.05 0.03 0.44 99.03 0.45 0.00 0.00 0.00 52 Y H H 126.19 4.13 11.80 17.50 92.65 49.80 -67.93 -34.20 1.75 0.00 98.25 0.11 0.10 1.42 96.86 1.50 0.00 0.00 0.00 53 R H H 165.47 1.59 13.08 15.08 92.78 53.90 -71.25 -26.45 13.53 0.01 86.47 0.30 0.44 13.29 84.13 1.83 0.01 0.00 0.00 54 N H H 125.17 0.89 13.45 13.30 98.06 42.67 -98.65 -2.75 37.78 0.04 62.19 1.64 2.45 32.42 61.61 1.82 0.01 0.01 0.03 55 Y C C 101.61 7.91 7.61 17.08 117.74 95.07 -87.22 139.27 94.04 1.41 4.56 53.68 36.69 3.10 4.14 0.58 0.00 0.27 1.54 56 D C C 87.51 2.95 13.21 17.31 108.88 -141.04 -96.98 110.10 98.43 0.33 1.24 96.80 1.19 0.59 0.99 0.13 0.00 0.09 0.21 57 S H H 61.41 6.06 10.65 18.75 94.41 -164.05 -65.46 -33.37 17.50 0.10 82.40 5.74 3.62 8.76 79.67 2.09 0.01 0.04 0.07 58 M H H 125.06 1.63 14.07 15.67 92.46 54.94 -65.21 -40.78 6.55 0.01 93.44 0.68 0.73 5.06 91.48 2.02 0.01 0.00 0.01 59 K H H 119.34 1.54 15.01 15.92 92.14 48.55 -65.96 -40.41 4.40 0.02 95.58 0.77 0.42 3.09 93.14 2.55 0.01 0.01 0.01 60 D H H 57.56 5.36 13.01 20.20 92.14 50.29 -64.38 -40.94 1.89 0.01 98.11 0.49 0.18 1.06 97.26 1.01 0.00 0.00 0.00 61 F H H 83.29 5.70 13.19 20.67 92.16 50.47 -63.72 -41.55 0.41 0.00 99.59 0.10 0.04 0.20 99.55 0.12 0.00 0.00 0.00 62 E H H 104.85 1.73 16.37 17.38 91.54 50.47 -63.64 -41.19 0.20 0.00 99.80 0.04 0.02 0.10 99.78 0.06 0.00 0.00 0.00 63 E H H 98.79 2.05 15.64 17.55 91.74 49.71 -64.65 -41.63 0.20 0.00 99.79 0.03 0.02 0.12 99.77 0.06 0.00 0.00 0.00 64 M H H 60.30 6.79 11.94 20.81 92.31 49.55 -65.29 -41.02 0.32 0.00 99.68 0.04 0.02 0.21 99.63 0.10 0.00 0.00 0.00 65 R H H 128.23 4.10 12.85 18.42 91.95 50.88 -63.56 -40.60 0.85 0.01 99.14 0.10 0.04 0.62 98.88 0.35 0.00 0.00 0.00 66 K H H 162.12 0.69 14.15 13.46 91.29 51.63 -65.76 -32.86 4.77 0.00 95.22 0.12 0.12 4.72 94.56 0.46 0.00 0.00 0.00 67 A C T 68.43 2.70 11.14 15.16 92.54 52.86 -83.00 -9.50 73.17 0.01 26.81 0.23 0.85 72.32 25.95 0.64 0.00 0.00 0.01 68 G C T 54.37 1.93 12.62 15.35 95.33 -111.06 80.17 11.97 99.30 0.01 0.69 0.67 2.10 96.63 0.51 0.08 0.00 0.00 0.00 69 I C S 91.99 4.89 11.34 17.96 97.88 123.23 -79.55 -28.55 96.54 0.27 3.19 19.80 64.24 12.34 1.57 1.71 0.00 0.10 0.24 70 F C S 92.31 9.30 9.50 19.57 110.89 33.87 -118.48 100.34 85.30 4.11 10.59 22.64 41.75 20.71 3.28 6.72 0.02 1.01 3.87 71 Q C C 130.48 2.34 12.68 16.06 100.44 -156.46 -79.13 -20.53 77.88 1.30 20.81 29.08 21.08 27.54 3.18 17.79 0.00 0.60 0.74 72 S C T 80.00 3.03 10.36 14.74 107.97 58.61 -90.72 37.02 79.25 1.68 19.07 27.25 21.34 30.78 2.74 16.19 0.00 0.76 0.94 73 A C C 70.95 5.48 7.26 14.18 109.84 93.27 -88.28 109.23 88.99 1.38 9.63 76.22 3.54 9.19 1.81 7.76 0.00 0.68 0.79 74 K C C 154.07 2.10 12.02 15.59 111.64 -148.89 -87.87 123.04 99.95 0.03 0.02 99.84 0.09 0.04 0.00 0.00 0.00 0.01 0.00