# 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 L C C 107.97 4.58 12.03 18.34 114.94 -153.04 -93.92 126.44 99.59 0.33 0.08 99.54 0.14 0.06 0.04 0.01 0.00 0.16 0.05 1 V C C 95.17 4.84 8.63 15.35 113.37 -148.63 -93.94 129.33 73.87 5.10 21.03 66.24 1.83 6.16 15.99 4.52 0.00 3.27 1.99 2 D C C 98.01 3.34 8.99 14.01 111.10 -141.08 -88.32 122.52 68.35 4.76 26.89 47.29 9.79 10.91 18.59 8.78 0.02 2.96 1.67 3 D C C 109.44 2.53 9.94 13.98 100.47 -152.88 -80.91 -7.63 59.43 4.24 36.33 37.91 10.18 11.06 23.88 12.91 0.03 2.64 1.40 4 R C C 152.28 2.99 9.95 14.48 102.15 72.29 -80.60 -8.28 54.31 5.66 40.03 32.72 10.04 11.88 27.31 12.58 0.08 3.48 1.90 5 M C C 110.82 5.10 9.21 15.90 104.02 73.38 -85.28 23.14 58.08 7.07 34.84 36.34 10.87 11.24 25.16 9.56 0.10 4.25 2.49 6 S C C 70.58 4.28 10.59 16.46 107.84 79.88 -90.08 94.63 69.69 6.45 23.86 45.40 11.49 12.46 17.70 6.58 0.04 3.82 2.51 7 T C C 92.17 3.73 10.50 15.81 106.30 90.92 -92.16 43.40 75.17 7.01 17.82 40.27 20.01 15.54 11.60 5.93 0.05 3.79 2.81 8 E C C 134.84 2.72 10.83 14.97 105.51 75.84 -83.93 57.83 80.03 6.26 13.71 35.87 20.45 24.96 6.97 5.95 0.03 3.30 2.46 9 G C C 48.23 4.41 10.06 16.07 107.64 51.48 -71.41 8.60 88.12 4.31 7.57 38.47 23.63 26.74 2.17 4.98 0.00 2.24 1.75 10 T C C 97.37 2.96 10.46 14.86 103.63 39.32 -86.68 5.60 85.94 7.11 6.94 37.62 23.05 26.31 1.91 4.61 0.01 3.63 2.86 11 G C C 55.13 2.63 11.63 15.58 102.79 -90.62 82.39 3.11 87.17 7.56 5.27 36.08 30.20 21.74 1.37 3.75 0.01 3.94 2.91 12 L C C 87.69 5.16 9.25 16.34 116.54 122.30 -91.47 141.65 79.82 8.77 11.41 47.05 24.12 8.62 3.79 7.55 0.02 4.15 4.70 13 P C T 102.83 2.46 11.39 15.13 104.49 -107.07 -67.36 111.82 75.03 4.07 20.89 23.19 15.77 37.09 4.44 15.51 0.02 2.29 1.68 14 F C T 152.72 2.64 10.90 14.80 101.67 31.55 -84.18 14.07 72.62 4.84 22.53 17.45 16.13 39.80 5.23 16.41 0.07 2.70 2.21 15 G C C 42.60 4.93 12.17 18.53 112.26 -65.49 85.62 -120.28 73.51 9.28 17.21 38.12 18.62 18.08 5.38 10.89 0.05 4.90 3.95 16 L C C 96.66 5.84 10.77 18.08 109.58 28.78 -88.88 113.90 67.92 16.32 15.76 41.47 14.23 12.02 8.54 7.18 0.13 8.49 7.95 17 S C C 70.49 4.55 12.16 18.19 109.01 -146.06 -88.83 116.23 72.79 10.61 16.60 41.77 16.87 14.50 10.57 6.05 0.07 6.00 4.17 18 N C S 93.35 4.61 12.01 17.98 108.03 96.28 -90.45 73.84 69.67 3.18 27.14 26.82 27.37 16.16 22.07 4.60 0.08 1.42 1.48 19 N H H 110.50 3.09 12.90 16.97 97.19 -124.99 -67.25 -22.01 46.54 1.42 52.04 13.90 16.75 18.21 46.51 3.23 0.15 0.57 0.69 20 L H H 99.17 2.86 12.96 16.68 94.56 61.06 -67.63 -39.11 18.86 0.84 80.30 6.64 4.15 9.97 75.89 2.43 0.14 0.43 0.35 21 L H H 81.03 4.80 12.81 19.14 93.19 51.53 -66.25 -40.23 7.35 0.35 92.30 2.58 1.21 4.10 90.24 1.50 0.05 0.22 0.10 22 G H H 33.55 3.56 13.75 18.59 92.36 52.17 -63.86 -41.33 3.64 0.19 96.18 1.43 0.55 1.90 95.03 0.92 0.02 0.13 0.04 23 W H H 150.76 1.84 15.43 16.95 92.48 50.23 -65.47 -41.18 0.99 0.05 98.96 0.31 0.11 0.55 98.62 0.36 0.00 0.04 0.01 24 I H H 87.84 3.29 14.68 18.83 92.21 49.90 -64.46 -42.20 0.40 0.02 99.58 0.11 0.04 0.22 99.45 0.17 0.00 0.02 0.00 25 L H H 87.71 3.51 14.88 19.38 92.22 49.75 -64.55 -41.40 0.44 0.02 99.54 0.08 0.03 0.28 99.43 0.16 0.00 0.01 0.00 26 F H H 128.30 1.82 16.18 17.54 92.05 49.62 -65.19 -40.43 0.87 0.01 99.11 0.10 0.05 0.66 98.98 0.20 0.00 0.01 0.00 27 G H H 36.82 2.67 15.31 18.43 92.29 50.56 -65.04 -41.05 2.27 0.02 97.71 0.18 0.14 1.87 97.60 0.19 0.00 0.01 0.01 28 V H H 74.96 3.60 15.00 19.40 92.24 49.61 -64.98 -42.00 1.34 0.02 98.65 0.20 0.13 0.90 98.64 0.13 0.00 0.01 0.00 29 F H H 114.18 2.61 15.92 18.78 92.05 50.07 -64.24 -41.29 0.70 0.00 99.30 0.14 0.05 0.41 99.30 0.09 0.00 0.00 0.00 30 G H H 37.76 2.30 15.37 17.86 91.87 50.67 -64.28 -40.80 0.70 0.00 99.30 0.11 0.04 0.45 99.31 0.09 0.00 0.00 0.00 31 L H H 92.84 2.59 15.29 18.05 92.11 49.87 -65.43 -40.85 0.33 0.00 99.67 0.04 0.02 0.22 99.66 0.06 0.00 0.00 0.00 32 I H H 92.71 2.59 15.37 18.22 92.01 49.72 -64.44 -42.26 0.17 0.00 99.83 0.02 0.01 0.11 99.82 0.05 0.00 0.00 0.00 33 W H H 146.15 1.94 15.53 17.21 91.97 49.17 -64.61 -41.29 0.17 0.00 99.83 0.01 0.01 0.11 99.81 0.06 0.00 0.00 0.00 34 A H H 55.67 2.52 14.31 17.46 91.76 51.01 -63.70 -41.17 0.24 0.00 99.76 0.01 0.01 0.18 99.70 0.09 0.00 0.00 0.00 35 L H H 93.48 2.24 14.72 17.10 91.78 50.04 -64.33 -41.28 0.32 0.00 99.68 0.02 0.01 0.27 99.58 0.12 0.00 0.00 0.00 36 Y H H 130.24 2.01 14.43 16.52 92.08 49.61 -64.76 -41.33 0.61 0.00 99.39 0.04 0.03 0.51 99.19 0.24 0.00 0.00 0.00 37 F H H 116.56 2.15 13.52 16.12 92.27 49.64 -65.21 -40.61 1.63 0.02 98.36 0.15 0.11 1.30 97.91 0.52 0.00 0.01 0.00 38 I H H 96.97 2.29 12.75 15.68 92.52 49.88 -65.65 -40.37 4.58 0.11 95.32 0.64 0.46 3.43 94.21 1.15 0.03 0.07 0.02 39 Y H H 151.90 1.74 12.25 14.32 93.75 49.99 -69.56 -33.84 10.94 0.18 88.88 1.64 1.19 8.01 87.10 1.84 0.05 0.11 0.06 40 A H H 75.00 2.26 10.79 14.06 95.50 53.23 -75.60 -20.29 25.02 0.46 74.52 4.96 3.68 17.13 71.34 2.35 0.10 0.22 0.22 41 S C H 76.98 2.66 10.08 14.11 100.92 63.09 -81.96 -3.63 57.34 1.01 41.64 11.49 11.95 34.12 38.21 3.12 0.11 0.42 0.56 42 G C T 57.93 1.60 11.55 13.82 102.19 -73.47 81.01 14.72 78.88 1.21 19.91 29.38 13.07 36.80 16.16 3.42 0.01 0.53 0.63 43 L C C 108.07 4.14 8.08 13.95 111.01 133.22 -88.41 125.04 84.10 1.97 13.93 53.78 19.06 11.11 9.62 4.35 0.00 0.85 1.23 44 D C C 109.27 2.12 10.13 13.51 112.01 -128.15 -89.46 117.90 85.98 1.66 12.36 66.28 8.87 10.85 6.94 5.26 0.00 0.89 0.91 45 E C C 131.87 3.46 8.66 14.04 110.20 -148.62 -87.19 117.98 77.59 3.28 19.12 49.06 13.50 15.15 9.39 9.44 0.01 1.64 1.82 46 D C C 99.87 3.11 8.80 13.63 111.06 -145.58 -95.22 113.12 78.41 3.23 18.36 50.52 12.64 15.34 8.68 9.38 0.01 1.64 1.79 47 E C C 138.93 2.47 8.56 12.74 106.82 -153.34 -87.64 73.31 71.39 2.99 25.62 36.41 14.98 20.87 9.96 14.72 0.03 1.44 1.59 48 E C C 141.52 2.05 8.33 11.92 106.48 100.67 -86.39 83.60 73.46 2.73 23.82 29.06 17.02 28.72 8.12 14.22 0.03 1.28 1.55 49 S C T 83.36 2.29 8.30 12.14 104.50 66.76 -86.36 25.96 78.80 2.22 18.99 28.82 20.20 30.96 5.11 12.62 0.01 1.01 1.26 50 G C C 59.52 1.58 9.60 12.20 103.44 -86.47 81.84 5.30 86.02 3.28 10.70 34.47 24.60 27.69 2.19 8.05 0.00 1.73 1.27 51 L C C 108.71 3.66 7.00 12.62 112.71 121.80 -91.02 130.30 80.67 9.84 9.49 50.09 18.07 12.87 2.17 7.38 0.01 6.14 3.26 52 S C C 89.09 1.58 9.59 12.47 113.61 -154.18 -95.99 132.19 84.74 10.34 4.92 72.78 4.02 8.01 1.51 2.98 0.00 7.24 3.47 53 L C C 111.98 5.27 9.74 16.60 104.94 -148.58 -83.87 41.80 99.67 0.31 0.02 99.57 0.14 0.05 0.01 0.00 0.00 0.19 0.03