# 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 E C C 137.36 2.61 11.96 16.11 115.38 -141.13 -90.69 134.63 99.96 0.03 0.01 99.81 0.14 0.02 0.00 0.00 0.00 0.01 0.00 1 P C C 109.35 2.47 9.44 13.80 111.50 -110.74 -72.71 144.01 95.96 0.49 3.55 89.49 1.05 6.26 1.10 1.61 0.00 0.28 0.21 2 G C C 50.58 3.88 8.79 14.35 117.02 -109.84 -86.16 162.58 91.29 2.86 5.85 62.76 14.02 14.63 1.48 4.29 0.00 1.85 0.97 3 I C C 124.82 2.80 9.70 14.16 110.37 -100.22 -89.25 121.45 81.21 11.89 6.90 60.73 13.85 6.33 2.78 4.17 0.01 8.38 3.76 4 V C C 103.25 3.98 9.82 15.78 116.49 -151.49 -98.18 129.96 79.91 15.08 5.02 67.02 9.68 2.40 3.47 1.87 0.00 9.13 6.42 5 T C C 57.18 6.91 8.99 17.74 121.98 -162.31 -100.54 153.33 91.12 3.65 5.24 81.96 7.65 1.33 5.31 0.61 0.00 2.01 1.13 6 P H H 103.16 1.55 13.84 15.45 92.85 -116.84 -61.10 -35.40 24.14 0.93 74.93 13.40 4.64 7.95 70.32 2.81 0.03 0.54 0.30 7 L H H 87.91 4.88 12.72 18.86 92.91 52.57 -66.83 -37.72 11.34 0.21 88.45 3.10 1.83 7.01 83.49 4.29 0.07 0.12 0.09 8 G H H 21.44 9.02 11.18 21.93 92.63 53.82 -64.15 -39.96 6.22 0.12 93.66 1.95 0.97 3.56 87.54 5.82 0.03 0.08 0.04 9 T H H 86.47 2.56 15.23 18.26 93.13 50.66 -67.58 -36.04 5.52 0.10 94.38 1.43 0.77 3.39 87.84 6.43 0.03 0.06 0.04 10 L H H 100.50 2.88 15.02 18.30 93.39 50.58 -69.58 -35.37 11.99 0.12 87.89 1.25 1.19 9.79 82.20 5.33 0.11 0.07 0.06 11 L H H 69.31 8.56 12.33 22.09 95.93 49.55 -80.76 -23.10 21.86 0.18 77.97 2.56 2.98 17.00 73.73 3.42 0.11 0.07 0.13 12 R H H 125.39 5.89 13.85 21.31 95.05 75.46 -62.34 -43.59 17.48 0.27 82.25 5.44 2.50 8.66 51.12 32.00 0.02 0.15 0.11 13 P H H 80.97 2.46 15.92 18.35 93.91 49.73 -67.28 -34.20 15.75 0.31 83.95 4.34 1.82 8.18 52.58 32.77 0.02 0.20 0.09 14 L H H 78.07 5.75 13.72 20.83 94.61 52.84 -69.67 -36.35 13.54 0.37 86.09 4.07 2.09 6.71 54.18 32.59 0.04 0.22 0.11 15 N H H 66.60 8.18 12.00 21.58 95.43 54.07 -70.90 -30.37 29.91 1.37 68.72 15.46 5.82 9.95 52.23 15.17 0.06 0.70 0.59 16 S H H 70.30 2.86 13.52 17.23 95.45 59.36 -70.59 -28.77 37.95 1.41 60.64 13.34 7.05 17.79 41.88 18.40 0.14 0.74 0.67 17 E H H 130.76 2.26 12.41 15.49 97.03 57.43 -77.18 -15.70 42.64 2.25 55.11 12.76 7.58 22.07 36.76 18.29 0.25 1.21 1.07 18 A C T 68.37 4.99 9.59 16.16 101.89 71.10 -78.73 9.28 62.36 1.61 36.03 9.75 10.67 40.36 21.67 15.43 0.16 0.81 1.15 19 G C T 56.91 2.33 12.28 15.79 100.24 -55.68 77.06 5.60 81.86 1.55 16.58 18.01 13.21 50.95 8.53 7.63 0.02 0.87 0.78 20 K C C 139.66 2.80 11.70 15.93 106.14 107.88 -92.21 27.53 79.31 10.61 10.08 50.57 15.28 13.54 4.84 5.25 0.02 6.74 3.77 21 V C C 88.61 5.83 9.14 16.68 113.46 107.85 -95.19 127.94 76.30 19.48 4.21 53.44 17.89 4.20 2.74 1.82 0.02 10.19 9.69 22 L C C 106.17 3.65 10.75 16.16 115.48 -134.74 -92.87 136.79 88.32 9.99 1.70 67.75 17.32 3.28 0.82 0.92 0.00 7.16 2.75 23 P C C 102.14 2.93 11.31 15.76 110.18 -105.46 -69.29 142.08 90.87 3.81 5.32 39.32 22.47 29.98 1.78 3.03 0.00 2.30 1.12 24 G C C 53.96 2.58 11.06 15.03 110.48 27.34 81.58 139.53 86.63 4.30 9.07 38.03 21.78 27.87 3.58 4.75 0.01 2.18 1.79 25 W C C 173.85 3.14 10.06 14.66 104.03 2.46 -84.31 10.66 69.30 5.75 24.95 28.40 18.02 24.44 12.82 10.49 0.17 2.71 2.96 26 G C C 46.10 3.67 12.51 17.37 105.70 26.16 13.79 -13.36 68.40 5.19 26.42 26.44 18.55 25.04 15.66 9.21 0.16 2.63 2.31 27 T C C 68.61 5.83 11.14 18.54 101.68 65.85 -82.28 -9.68 56.70 4.01 39.30 37.31 10.17 10.02 31.98 6.71 0.05 2.07 1.69 28 T H H 76.53 4.16 12.34 18.02 95.47 80.75 -65.56 -40.73 12.45 0.37 87.17 7.66 2.91 2.75 85.17 1.24 0.01 0.16 0.11 29 V H H 100.86 1.56 14.56 15.70 93.41 50.65 -66.14 -39.75 5.28 0.31 94.41 2.63 0.78 2.11 93.05 1.16 0.01 0.20 0.06 30 L H H 94.74 2.64 14.00 17.24 93.25 48.75 -66.69 -40.45 2.95 0.29 96.76 1.47 0.39 1.23 95.64 1.00 0.01 0.21 0.05 31 M H H 80.88 5.42 12.80 19.89 92.99 51.06 -65.60 -40.08 1.53 0.10 98.36 0.81 0.19 0.57 97.96 0.38 0.00 0.07 0.01 32 A H H 58.11 2.62 14.77 17.95 91.97 51.54 -64.02 -41.07 1.12 0.07 98.80 0.52 0.12 0.47 98.64 0.19 0.00 0.05 0.01 33 V H H 88.04 1.61 15.81 16.63 92.21 49.52 -65.34 -41.34 0.54 0.03 99.43 0.19 0.04 0.26 99.38 0.10 0.00 0.02 0.00 34 A H H 52.16 3.61 14.29 19.13 92.05 50.46 -64.50 -41.14 0.34 0.01 99.65 0.13 0.03 0.15 99.62 0.06 0.00 0.01 0.00 35 I H H 90.39 3.38 14.57 18.90 92.22 50.28 -64.94 -40.67 0.26 0.00 99.74 0.06 0.01 0.14 99.74 0.04 0.00 0.00 0.00 36 L H H 96.81 1.71 15.50 16.71 91.90 50.52 -64.19 -41.00 0.14 0.00 99.86 0.03 0.01 0.07 99.86 0.03 0.00 0.00 0.00 37 L H H 94.69 2.01 15.31 17.17 91.80 50.44 -64.58 -41.20 0.15 0.00 99.84 0.02 0.00 0.09 99.84 0.04 0.00 0.00 0.00 38 F H H 107.58 3.37 14.47 18.78 92.06 49.82 -65.28 -40.71 0.17 0.00 99.83 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 39 A H H 58.47 2.52 14.83 17.83 91.97 51.13 -63.93 -40.89 0.23 0.00 99.77 0.02 0.01 0.15 99.76 0.05 0.00 0.00 0.00 40 V H H 86.53 1.71 15.64 16.76 91.72 50.03 -64.47 -41.76 0.28 0.00 99.72 0.02 0.01 0.20 99.70 0.06 0.00 0.00 0.00 41 F H H 111.08 2.68 14.85 18.08 91.81 50.06 -64.81 -40.94 0.33 0.00 99.67 0.04 0.01 0.22 99.65 0.08 0.00 0.00 0.00 42 L H H 88.35 3.14 14.60 18.54 91.91 50.97 -64.44 -40.57 0.23 0.00 99.77 0.03 0.01 0.15 99.75 0.07 0.00 0.00 0.00 43 L H H 92.03 2.17 15.40 17.55 92.04 50.85 -64.52 -40.91 0.25 0.00 99.75 0.03 0.01 0.17 99.71 0.08 0.00 0.00 0.00 44 I H H 90.98 2.36 15.45 17.90 92.13 49.71 -64.58 -41.94 0.36 0.00 99.64 0.04 0.02 0.24 99.60 0.09 0.00 0.00 0.00 45 I H H 86.50 3.12 14.83 18.73 92.08 49.63 -64.74 -41.64 0.40 0.00 99.60 0.05 0.02 0.25 99.55 0.12 0.00 0.00 0.00 46 L H H 86.15 2.91 14.58 18.24 91.94 50.67 -64.30 -41.19 0.50 0.00 99.50 0.06 0.03 0.33 99.26 0.32 0.00 0.00 0.00 47 E H H 105.65 2.50 14.53 17.54 92.16 50.65 -64.81 -40.14 1.36 0.01 98.63 0.12 0.07 1.06 98.12 0.62 0.00 0.00 0.00 48 I H H 97.98 2.36 14.29 17.02 92.83 48.71 -66.33 -40.70 3.15 0.02 96.83 0.31 0.22 2.45 96.14 0.86 0.00 0.01 0.00 49 Y H H 139.59 2.31 13.62 16.35 93.12 47.98 -69.22 -36.09 9.72 0.10 90.18 1.49 1.13 7.07 89.03 1.16 0.03 0.04 0.05 50 N H H 92.45 3.29 12.37 16.86 96.24 50.00 -85.86 -9.62 33.53 0.56 65.91 9.04 4.68 20.66 62.69 2.32 0.06 0.23 0.31 51 S H H 64.20 3.61 11.64 16.65 97.12 76.08 -74.89 -20.06 47.62 1.06 51.32 17.01 9.75 22.48 44.58 5.09 0.08 0.47 0.55 52 S H H 65.17 3.43 11.11 15.96 99.33 74.75 -77.79 -21.40 44.33 1.84 53.84 19.63 9.20 17.39 42.44 9.46 0.11 0.97 0.81 53 L H H 112.72 2.27 10.38 13.83 96.40 71.02 -72.17 -28.43 36.32 3.57 60.11 13.24 7.97 16.06 42.67 16.26 0.38 2.27 1.14 54 I H H 122.10 1.98 10.18 13.18 99.21 54.13 -78.30 -22.90 35.57 8.48 55.95 13.85 7.51 15.37 38.76 15.63 0.87 5.97 2.03 55 L H H 114.27 2.81 8.51 12.89 103.82 61.51 -84.80 15.69 40.52 10.41 49.07 15.98 9.61 16.76 32.42 14.34 1.23 6.53 3.14 56 D C T 114.94 1.71 9.35 12.33 105.04 104.09 -82.65 78.97 70.69 2.96 26.35 13.26 10.54 45.64 18.84 8.44 0.14 1.75 1.37 57 G C T 63.67 0.98 10.85 12.00 100.32 -35.32 79.03 8.65 91.18 1.97 6.85 22.91 14.35 54.67 2.98 3.22 0.00 1.26 0.60 58 V C C 90.60 4.35 7.27 13.74 116.14 135.78 -93.98 129.80 89.13 9.40 1.47 75.80 11.23 1.82 0.84 0.68 0.00 5.84 3.79 59 T C C 110.57 1.38 11.39 13.64 114.77 -149.98 -96.13 128.30 88.38 10.33 1.29 82.53 4.09 1.63 0.65 0.55 0.00 7.39 3.15 60 N C C 98.55 5.93 7.83 15.52 117.56 -162.82 -106.30 131.49 89.37 7.15 3.47 74.86 10.68 3.66 1.88 1.58 0.00 4.62 2.73 61 S C C 70.59 2.64 11.16 15.12 117.73 -169.41 -107.01 137.55 89.69 3.87 6.45 76.62 8.52 4.41 4.01 2.35 0.00 2.10 1.99 62 W H G 163.58 4.82 8.48 15.03 96.28 -152.75 -70.20 -24.58 40.54 1.44 58.02 17.28 7.41 16.47 22.16 35.30 0.02 0.80 0.57 63 E H G 147.12 1.29 10.33 12.30 95.81 65.74 -72.22 -23.70 35.39 0.97 63.65 9.21 5.91 19.82 23.91 40.18 0.03 0.55 0.39 64 S H G 82.99 1.84 8.62 11.68 98.33 61.41 -79.44 -10.70 34.51 1.43 64.06 11.73 6.31 16.88 21.76 41.95 0.03 0.83 0.52 65 L C C 114.97 3.23 6.94 11.80 102.33 68.25 -85.94 3.79 56.24 2.14 41.62 40.00 3.95 14.35 19.01 20.38 0.01 1.19 1.10 66 A C C 82.31 2.77 10.72 15.06 109.06 77.81 -83.35 100.43 99.80 0.12 0.08 99.56 0.17 0.13 0.04 0.01 0.00 0.06 0.02