# 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 D C C 105.03 3.43 11.03 16.20 110.56 -153.16 -88.70 116.77 99.96 0.03 0.01 99.82 0.12 0.04 0.00 0.00 0.00 0.01 0.00 1 T C C 108.30 1.99 9.77 13.18 109.27 -161.03 -92.70 112.29 94.89 0.63 4.48 86.83 1.34 7.71 1.85 1.60 0.00 0.34 0.33 2 G C C 48.73 4.34 8.85 14.83 115.53 -141.48 -82.08 164.36 91.38 2.26 6.36 60.20 14.93 16.65 1.99 3.98 0.00 1.32 0.93 3 I C C 124.68 2.93 9.69 14.32 111.09 -100.00 -89.41 122.32 84.38 7.71 7.91 59.20 16.32 8.96 3.54 4.21 0.00 4.91 2.84 4 S C C 78.98 3.57 10.34 15.82 115.05 -150.03 -96.33 128.41 82.22 10.27 7.51 62.85 13.97 4.76 5.03 2.76 0.00 5.83 4.79 5 T C C 57.67 7.41 9.10 18.24 119.43 -156.95 -100.26 145.17 88.82 3.43 7.75 73.84 12.29 2.01 7.92 0.89 0.00 1.70 1.36 6 P H H 99.01 1.88 14.09 16.24 94.22 -120.42 -61.70 -36.05 30.18 1.21 68.61 18.61 5.96 7.30 64.54 2.51 0.02 0.66 0.39 7 L H H 86.29 5.48 12.77 19.50 92.85 51.94 -66.75 -38.65 11.25 0.20 88.55 3.28 1.87 6.80 83.34 4.45 0.06 0.11 0.09 8 G H H 23.21 8.60 11.61 21.95 92.86 52.89 -64.16 -40.21 6.33 0.11 93.55 1.90 0.97 3.74 87.40 5.85 0.03 0.07 0.04 9 T H H 85.72 2.63 15.39 18.50 93.34 49.72 -68.11 -36.47 5.36 0.09 94.55 1.35 0.75 3.34 87.90 6.54 0.03 0.05 0.03 10 L H H 97.40 3.37 15.11 19.09 93.73 49.31 -69.33 -36.69 11.73 0.11 88.16 1.19 1.19 9.58 82.56 5.25 0.10 0.06 0.06 11 L H H 68.70 8.87 12.68 22.67 96.18 49.70 -80.57 -26.40 21.65 0.16 78.19 2.44 3.03 16.85 73.78 3.61 0.11 0.06 0.12 12 K H H 109.07 5.94 14.30 21.75 94.80 75.54 -62.09 -42.57 17.32 0.27 82.41 5.22 2.45 8.65 47.17 36.24 0.02 0.15 0.10 13 P H H 79.30 2.69 16.10 18.89 93.80 49.98 -66.76 -33.82 15.83 0.28 83.89 4.03 1.79 8.41 48.16 37.33 0.02 0.17 0.08 14 L H H 74.17 6.40 13.65 21.50 94.01 52.80 -68.87 -35.38 14.08 0.36 85.56 3.99 2.15 7.12 49.11 37.27 0.04 0.21 0.11 15 N H H 66.88 8.35 12.23 21.97 94.42 54.73 -71.41 -28.66 33.29 1.55 65.16 17.25 6.37 10.91 45.70 18.25 0.06 0.78 0.68 16 S H H 70.69 2.96 13.62 17.52 94.99 62.36 -71.20 -25.32 41.82 1.60 56.58 14.41 7.43 19.57 33.39 23.49 0.12 0.83 0.76 17 E H H 126.66 2.77 12.37 16.17 97.20 59.29 -79.05 -10.67 46.20 2.76 51.04 14.27 7.62 23.56 28.81 22.77 0.21 1.54 1.23 18 Y C T 139.43 5.21 9.83 16.57 103.33 67.59 -82.35 27.86 62.37 2.09 35.54 10.86 11.05 39.13 18.40 17.99 0.16 1.09 1.33 19 G C T 55.85 2.62 12.38 16.29 100.82 -32.08 77.17 4.63 82.19 2.09 15.72 19.23 14.17 49.20 7.51 7.74 0.02 1.23 0.91 20 K C C 140.42 2.87 12.41 16.62 106.28 104.93 -93.45 30.71 77.54 12.76 9.70 49.34 15.00 13.21 4.60 5.18 0.03 8.57 4.07 21 V C C 84.02 6.83 9.31 17.68 113.60 97.24 -95.84 127.95 72.29 23.38 4.33 51.13 16.26 3.90 2.90 1.87 0.02 12.34 11.59 22 A C C 65.87 4.34 11.17 17.19 115.80 -125.68 -92.32 141.47 86.39 11.63 1.99 66.84 15.76 3.62 0.96 1.09 0.00 8.84 2.89 23 P C C 103.49 2.77 11.71 15.94 109.30 -99.81 -68.95 142.00 89.70 4.35 5.95 36.71 23.26 30.78 2.08 3.29 0.00 2.69 1.18 24 G C C 53.12 2.73 11.34 15.40 112.41 36.91 92.17 -15.44 85.81 4.63 9.57 37.26 21.63 28.07 3.91 4.88 0.01 2.43 1.81 25 W C C 173.55 3.28 10.38 15.04 104.63 -23.47 -85.08 23.70 69.55 5.95 24.49 27.50 17.68 25.87 13.22 9.74 0.18 2.91 2.90 26 G C C 44.36 4.18 12.54 17.99 106.29 22.06 32.16 -14.11 69.04 5.17 25.79 27.11 17.68 25.74 16.09 8.35 0.14 2.69 2.20 27 T C C 68.81 5.72 11.18 18.44 101.16 80.95 -79.61 -19.06 54.84 3.61 41.55 36.77 10.13 8.93 34.91 5.91 0.04 1.84 1.49 28 T H H 82.41 3.40 12.79 17.42 94.72 78.61 -65.75 -38.80 13.77 0.58 85.65 7.95 3.36 3.85 82.24 2.11 0.02 0.29 0.17 29 V H H 99.33 1.59 14.61 15.78 93.35 50.89 -66.23 -39.61 8.48 0.77 90.75 4.12 1.34 3.63 87.73 2.39 0.04 0.59 0.16 30 L H H 88.14 3.37 13.78 18.12 93.22 48.53 -67.51 -39.73 5.84 0.74 93.42 2.88 0.84 2.54 90.76 2.20 0.03 0.60 0.14 31 M H H 81.62 5.38 12.97 20.01 92.59 51.78 -65.05 -40.62 3.01 0.22 96.76 1.64 0.42 1.07 96.06 0.63 0.00 0.15 0.04 32 G H H 37.85 2.40 14.98 17.73 91.85 51.56 -63.69 -41.12 2.21 0.17 97.62 1.04 0.25 0.90 97.36 0.29 0.00 0.13 0.02 33 I H H 100.22 1.72 15.61 16.75 92.30 49.32 -65.39 -41.12 0.88 0.07 99.05 0.35 0.08 0.40 98.93 0.16 0.00 0.06 0.01 34 F H H 101.83 3.85 14.40 19.41 92.33 50.11 -65.09 -41.20 0.47 0.04 99.50 0.22 0.04 0.19 99.42 0.09 0.00 0.03 0.00 35 M H H 98.49 3.24 14.80 18.89 92.23 50.47 -64.67 -40.62 0.33 0.01 99.66 0.10 0.02 0.16 99.66 0.05 0.00 0.01 0.00 36 A H H 62.92 1.75 15.45 16.75 91.81 50.79 -64.13 -41.01 0.18 0.00 99.82 0.04 0.01 0.10 99.81 0.04 0.00 0.00 0.00 37 L H H 94.04 2.12 15.35 17.41 91.94 50.32 -64.74 -41.12 0.19 0.00 99.81 0.03 0.01 0.12 99.80 0.04 0.00 0.00 0.00 38 F H H 105.98 3.58 14.47 19.07 92.12 49.98 -65.10 -40.68 0.22 0.00 99.78 0.02 0.01 0.14 99.78 0.04 0.00 0.00 0.00 39 A H H 59.05 2.43 14.92 17.75 91.96 51.24 -63.89 -40.82 0.26 0.00 99.73 0.03 0.01 0.17 99.73 0.06 0.00 0.00 0.00 40 V H H 87.45 1.68 15.67 16.73 91.87 50.11 -64.56 -41.51 0.29 0.00 99.71 0.03 0.01 0.20 99.69 0.07 0.00 0.00 0.00 41 F H H 109.68 2.92 14.81 18.41 91.95 50.12 -65.03 -40.82 0.31 0.00 99.69 0.04 0.01 0.21 99.66 0.08 0.00 0.00 0.00 42 L H H 88.47 3.18 14.71 18.68 91.92 51.02 -64.50 -40.67 0.22 0.00 99.77 0.02 0.01 0.14 99.76 0.06 0.00 0.00 0.00 43 V H H 82.97 2.11 15.51 17.51 92.00 50.40 -64.55 -41.37 0.26 0.00 99.74 0.03 0.01 0.17 99.72 0.07 0.00 0.00 0.00 44 I H H 89.98 2.47 15.43 18.08 92.08 49.78 -64.67 -41.97 0.31 0.00 99.68 0.04 0.01 0.21 99.67 0.07 0.00 0.00 0.00 45 I H H 85.30 3.38 14.70 18.99 92.03 49.63 -64.61 -41.65 0.35 0.00 99.65 0.04 0.02 0.22 99.61 0.11 0.00 0.00 0.00 46 L H H 86.67 2.81 14.54 18.09 91.84 50.46 -64.17 -41.06 0.49 0.00 99.51 0.06 0.03 0.33 99.31 0.28 0.00 0.00 0.00 47 E H H 107.60 2.30 14.48 17.17 92.12 50.55 -64.85 -40.19 1.33 0.01 98.66 0.12 0.07 1.03 98.22 0.55 0.00 0.00 0.00 48 I H H 97.29 2.45 13.95 16.89 92.91 48.63 -66.31 -40.73 3.39 0.02 96.59 0.34 0.24 2.63 95.98 0.79 0.00 0.01 0.00 49 Y H H 139.74 2.46 13.12 16.14 93.71 48.19 -69.71 -34.52 10.62 0.12 89.26 1.77 1.30 7.54 88.08 1.17 0.03 0.05 0.06 50 N H H 97.54 2.92 11.99 16.03 95.96 51.68 -84.49 -9.07 33.80 0.60 65.60 9.63 4.98 20.21 62.05 2.49 0.06 0.25 0.32 51 S H H 68.35 3.23 11.11 15.71 99.32 79.02 -78.27 -15.74 47.96 1.04 51.00 16.21 9.68 23.55 44.11 5.36 0.08 0.48 0.53 52 S H H 68.73 3.22 10.68 15.31 103.32 77.20 -81.20 -10.22 48.88 2.00 49.13 22.08 9.87 18.55 37.82 9.68 0.09 1.04 0.88 53 V H H 106.27 2.03 10.03 13.18 98.39 74.30 -74.32 -24.54 42.82 4.05 53.13 16.25 9.69 17.91 35.98 15.95 0.36 2.50 1.37 54 L H H 119.94 1.90 10.00 12.88 100.24 58.41 -78.66 -19.66 43.46 7.72 48.81 17.28 9.38 17.85 31.30 16.15 0.73 5.10 2.20 55 L C H 107.21 3.47 8.17 13.29 103.72 67.04 -85.79 13.60 47.25 8.53 44.23 21.57 10.73 16.08 24.83 18.33 0.59 5.14 2.73 56 D C T 112.63 1.96 9.20 12.57 103.30 96.92 -79.92 43.97 69.89 3.14 26.97 16.36 11.26 42.00 14.72 12.26 0.12 1.88 1.39 57 D C T 128.42 0.86 10.54 11.32 99.43 15.98 -75.63 24.34 81.97 2.78 15.24 21.92 13.45 47.63 5.62 8.63 0.01 1.85 0.89 58 V C C 87.89 4.84 6.86 13.74 116.45 131.86 -95.91 130.56 87.12 10.48 2.40 70.71 13.90 2.18 1.46 1.09 0.00 7.10 3.55 59 T C C 114.51 1.02 11.53 12.91 114.27 -145.63 -95.60 126.69 84.91 13.46 1.63 80.05 3.28 1.48 0.90 0.63 0.00 10.02 3.65 60 M C C 108.60 6.56 7.33 15.59 118.77 -165.52 -107.73 134.96 87.77 9.71 2.52 78.45 7.27 1.87 1.55 0.96 0.00 6.64 3.25 61 S C C 69.03 2.37 11.46 15.02 118.91 -164.91 -109.48 143.97 91.40 4.68 3.93 83.94 5.30 2.26 2.53 1.24 0.00 2.80 1.93 62 W H G 168.11 4.39 8.44 14.68 95.44 -138.54 -67.76 -27.87 35.86 1.44 62.70 14.67 6.42 15.19 25.76 36.60 0.02 0.84 0.50 63 E H G 148.60 1.11 10.43 11.98 94.89 63.83 -70.92 -25.06 31.37 0.86 67.76 7.59 4.99 18.06 26.59 41.91 0.03 0.51 0.31 64 S H G 81.05 1.98 8.57 11.87 97.34 60.24 -79.17 -11.19 30.61 1.25 68.14 9.93 5.35 15.42 24.44 43.67 0.03 0.74 0.42 65 L C C 112.53 3.44 6.86 11.96 101.50 68.91 -85.93 2.20 52.86 2.14 44.99 36.40 3.88 14.43 21.99 21.01 0.01 1.20 1.07 66 A C C 81.49 2.84 10.79 15.21 108.13 81.01 -83.57 88.45 99.79 0.13 0.08 99.55 0.18 0.13 0.04 0.01 0.00 0.07 0.02