# 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 103.04 5.09 12.16 18.62 109.79 -155.57 -85.57 117.15 99.46 0.28 0.26 99.40 0.13 0.14 0.13 0.03 0.00 0.13 0.05 1 L C C 104.00 4.22 9.50 15.29 96.66 166.69 -70.58 -24.41 60.85 3.05 36.10 50.10 2.33 9.22 23.27 11.87 0.00 1.70 1.52 2 S C C 76.42 2.94 9.08 13.60 95.76 66.76 -71.28 -26.23 49.79 2.06 48.15 26.16 8.05 15.65 24.35 23.70 0.02 1.13 0.94 3 R H H 174.50 1.33 10.15 12.13 95.62 60.13 -74.65 -24.39 47.73 1.22 51.05 14.07 9.75 23.39 25.78 25.58 0.11 0.62 0.70 4 F C H 149.45 1.89 10.19 13.01 99.62 51.78 -83.06 -21.66 51.21 1.46 47.32 12.37 11.34 27.21 27.71 19.55 0.21 0.73 0.89 5 L C S 90.58 5.19 8.44 15.31 108.12 55.49 -94.84 35.36 67.27 4.33 28.39 24.70 32.38 11.48 21.57 4.88 0.20 1.18 3.59 6 G C C 31.56 3.30 12.50 17.10 124.53 -124.47 89.15 175.33 97.41 0.28 2.31 90.30 6.19 0.69 2.35 0.20 0.00 0.08 0.18 7 P H H 105.41 1.64 11.89 13.97 93.35 -81.16 -61.21 -36.96 7.00 0.03 92.97 1.11 0.94 4.74 90.31 2.86 0.01 0.01 0.01 8 R H H 157.71 1.29 12.22 13.56 92.32 52.42 -65.65 -38.78 4.71 0.02 95.27 0.60 0.44 3.46 92.13 3.34 0.01 0.01 0.01 9 Y H H 112.93 3.82 11.62 17.02 92.69 49.00 -67.54 -39.41 2.33 0.02 97.64 0.60 0.26 1.36 94.63 3.13 0.00 0.01 0.00 10 R H H 119.60 3.11 12.95 17.26 92.03 51.71 -64.53 -40.95 1.08 0.01 98.91 0.30 0.11 0.55 98.19 0.85 0.00 0.00 0.00 11 E H H 106.21 1.74 14.69 16.13 92.03 50.44 -64.59 -40.97 1.16 0.01 98.84 0.18 0.09 0.74 98.32 0.66 0.00 0.00 0.00 12 L H H 87.91 2.43 13.99 16.96 92.11 50.14 -64.75 -40.97 1.31 0.00 98.69 0.14 0.07 0.94 98.07 0.77 0.00 0.00 0.00 13 A H H 52.78 3.82 12.35 17.83 92.00 51.01 -64.90 -39.21 1.45 0.00 98.55 0.16 0.08 1.02 96.53 2.21 0.00 0.00 0.00 14 R H H 151.03 1.85 14.43 16.47 92.29 51.76 -66.25 -36.68 4.54 0.00 95.46 0.14 0.13 4.22 88.59 6.92 0.00 0.00 0.00 15 N H H 106.86 1.79 13.71 15.57 93.21 50.15 -73.27 -27.87 20.19 0.01 79.80 0.25 0.44 20.60 72.01 6.67 0.01 0.00 0.00 16 W H H 141.64 4.00 12.13 17.45 96.77 51.50 -85.36 -14.76 32.31 0.05 67.64 2.04 1.90 28.20 60.96 6.80 0.02 0.02 0.05 17 I H H 93.70 3.40 13.35 18.04 93.26 76.72 -62.70 -42.87 3.26 0.00 96.74 0.78 0.43 1.76 94.79 2.23 0.00 0.00 0.00 18 P H H 80.78 2.11 15.19 17.26 92.17 49.68 -64.55 -39.67 2.31 0.00 97.68 0.38 0.16 1.55 94.81 3.09 0.00 0.00 0.00 19 T H H 71.35 3.03 14.47 18.30 92.54 50.08 -66.03 -39.96 1.17 0.00 98.82 0.20 0.09 0.73 96.10 2.88 0.00 0.00 0.00 20 A H H 59.00 2.92 14.76 18.40 92.17 51.53 -64.26 -40.45 0.76 0.00 99.24 0.12 0.06 0.46 98.46 0.90 0.00 0.00 0.00 21 S H H 63.80 2.07 15.53 17.45 91.99 50.86 -64.90 -40.67 1.69 0.00 98.31 0.15 0.09 1.31 97.77 0.67 0.00 0.00 0.00 22 M H H 104.69 2.27 15.54 17.91 92.20 49.72 -65.38 -41.35 1.44 0.00 98.56 0.14 0.09 1.06 98.36 0.35 0.00 0.00 0.00 23 W H H 149.01 2.32 15.59 18.11 91.93 49.68 -64.64 -41.17 0.59 0.00 99.41 0.08 0.04 0.37 99.37 0.14 0.00 0.00 0.00 24 G H H 37.92 2.50 15.68 18.47 91.87 50.33 -64.03 -41.73 0.58 0.00 99.42 0.08 0.03 0.36 99.41 0.11 0.00 0.00 0.00 25 A H H 60.45 2.49 16.32 18.77 92.25 49.36 -65.08 -41.08 0.55 0.00 99.45 0.06 0.03 0.36 99.45 0.09 0.00 0.00 0.00 26 V H H 82.71 2.48 16.48 18.98 92.29 49.62 -64.91 -41.55 0.44 0.00 99.56 0.06 0.03 0.27 99.58 0.06 0.00 0.00 0.00 27 G H H 35.35 2.91 15.89 19.34 91.71 50.87 -63.76 -41.76 0.26 0.00 99.74 0.04 0.01 0.14 99.77 0.03 0.00 0.00 0.00 28 A H H 59.34 2.48 16.45 18.96 91.86 50.14 -64.50 -41.43 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 29 V H H 82.75 2.53 16.25 18.88 92.06 49.87 -64.34 -41.44 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 30 G H H 36.29 2.75 15.30 18.64 91.72 50.95 -63.53 -41.75 0.15 0.00 99.85 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 31 L H H 96.77 1.93 15.87 17.54 91.95 49.70 -64.40 -41.28 0.15 0.00 99.85 0.01 0.01 0.10 99.82 0.06 0.00 0.00 0.00 32 V H H 80.67 2.76 14.24 17.73 92.08 49.82 -64.97 -41.36 0.27 0.00 99.73 0.02 0.01 0.20 99.59 0.18 0.00 0.00 0.00 33 W H H 157.29 2.32 13.84 16.75 92.38 49.96 -66.11 -38.58 1.06 0.00 98.94 0.05 0.04 0.88 98.55 0.47 0.00 0.00 0.00 34 A H H 76.10 1.50 13.94 15.16 93.02 50.25 -70.82 -30.82 7.03 0.01 92.96 0.22 0.28 6.59 92.16 0.73 0.01 0.00 0.00 35 T H H 77.90 2.80 12.45 16.12 99.87 48.66 -87.32 -17.34 33.06 0.20 66.73 2.28 3.66 26.55 65.83 1.38 0.09 0.07 0.15 36 D C H 82.72 3.69 12.29 17.24 100.40 -114.28 -70.08 23.14 50.12 0.63 49.24 28.11 5.40 15.72 48.28 1.89 0.01 0.22 0.38 37 W H H 147.03 3.51 11.90 16.91 94.11 113.49 -65.71 -33.94 12.75 0.12 87.13 5.83 1.84 5.64 83.43 3.13 0.01 0.06 0.06 38 R H H 143.42 2.18 13.40 16.23 92.69 55.57 -65.78 -38.23 3.63 0.05 96.33 0.90 0.43 2.24 92.31 4.07 0.01 0.03 0.01 39 L H H 89.24 2.28 13.24 16.13 92.43 50.88 -65.37 -40.61 2.00 0.03 97.96 0.41 0.22 1.32 92.95 5.07 0.01 0.03 0.00 40 I H H 91.00 3.09 12.64 16.92 92.58 49.25 -65.70 -40.86 1.91 0.02 98.07 0.26 0.16 1.37 92.78 5.39 0.00 0.02 0.00 41 L H H 86.66 4.09 11.47 17.25 92.47 51.26 -67.50 -33.60 4.58 0.03 95.40 0.34 0.26 3.65 82.98 12.73 0.01 0.02 0.01 42 D H H 103.37 1.99 12.79 15.54 92.64 59.29 -68.99 -23.97 36.83 0.06 63.11 0.76 1.00 35.58 51.69 10.87 0.02 0.03 0.04 43 W C T 176.42 1.97 12.28 14.78 97.78 45.85 -96.72 -2.92 59.58 0.13 40.29 2.38 2.67 54.18 31.39 9.19 0.01 0.06 0.11 44 V C C 63.17 7.02 7.24 16.28 112.18 106.99 -84.65 121.48 91.80 2.03 6.17 45.76 43.68 2.35 4.97 1.03 0.00 0.51 1.70 45 P C C 100.36 2.15 11.13 14.37 97.21 -147.57 -65.80 -26.34 75.45 1.84 22.71 33.81 13.62 28.77 11.01 10.87 0.01 0.92 0.98 46 Y C T 165.15 1.99 10.47 13.41 101.53 55.84 -85.14 3.65 64.40 9.81 25.79 20.84 14.43 29.94 12.46 12.04 0.54 5.14 4.61 47 I C T 103.52 4.14 8.67 14.51 104.81 80.45 -87.43 41.79 57.40 14.59 28.01 20.76 15.55 22.25 12.66 13.02 1.22 7.27 7.27 48 N C T 111.04 3.00 10.22 14.54 101.67 56.32 -73.01 27.23 69.65 4.34 26.01 19.79 16.09 34.63 9.89 14.92 0.17 2.17 2.35 49 G C T 47.82 3.18 10.51 15.08 99.74 47.83 -51.51 -15.24 70.66 1.76 27.58 18.60 18.29 34.57 6.79 19.77 0.04 0.81 1.12 50 K C T 141.83 2.16 10.41 13.67 96.59 82.05 -76.84 -20.51 69.46 3.08 27.46 19.96 19.63 30.89 6.60 19.63 0.06 1.59 1.64 51 F C C 131.89 4.05 8.50 14.23 104.43 52.31 -96.91 14.45 70.93 6.88 22.18 34.28 17.81 20.06 6.08 14.83 0.08 3.29 3.56 52 K C C 134.24 3.01 8.77 13.77 114.35 124.73 -88.93 133.09 84.99 5.39 9.62 69.66 9.67 5.47 4.87 4.58 0.00 3.12 2.63 53 K C C 152.24 2.26 8.05 12.25 111.90 -140.99 -89.01 127.63 88.64 3.27 8.08 69.03 12.39 7.12 4.29 3.58 0.00 1.78 1.81 54 E C C 145.19 1.94 7.74 11.42 112.54 -143.02 -89.44 129.71 95.16 0.84 4.00 87.51 1.73 6.74 1.74 1.42 0.00 0.44 0.41 55 D C C 119.99 1.71 10.02 13.03 107.77 -129.46 -85.43 96.93 99.96 0.02 0.02 99.78 0.11 0.08 0.01 0.00 0.00 0.01 0.00