# 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 G C C 41.37 3.97 12.51 17.76 120.54 -134.12 96.00 -176.02 99.97 0.01 0.02 99.85 0.10 0.04 0.01 0.00 0.00 0.00 0.00 1 P C C 106.88 1.86 10.65 13.32 106.67 -54.09 -74.48 135.01 63.79 0.53 35.68 54.33 1.50 8.83 31.07 3.73 0.00 0.26 0.28 2 M H H 134.49 2.27 8.30 12.05 103.01 46.51 -78.50 -10.91 49.05 1.16 49.78 30.60 8.01 11.68 41.86 6.72 0.02 0.55 0.57 3 A H H 77.56 2.63 9.11 13.21 103.61 69.00 -76.82 -7.17 40.85 1.24 57.91 26.30 7.30 8.71 48.83 7.70 0.02 0.63 0.51 4 S H H 81.36 2.25 10.09 13.49 103.65 55.80 -82.69 4.62 40.26 1.03 58.72 25.72 7.19 8.97 50.89 6.28 0.01 0.49 0.44 5 N H H 105.83 2.90 10.15 14.46 102.95 75.93 -82.55 5.04 38.55 0.72 60.73 22.17 8.03 9.92 54.75 4.47 0.02 0.31 0.34 6 N H H 102.06 3.07 10.94 15.26 100.67 79.80 -77.15 -24.49 35.26 0.56 64.19 18.64 7.55 10.44 59.06 3.80 0.02 0.23 0.27 7 T H H 91.82 2.28 12.13 15.14 95.78 65.56 -69.84 -33.05 26.78 0.43 72.79 13.47 5.85 8.61 68.48 3.20 0.02 0.19 0.19 8 A H H 64.13 2.56 12.70 16.04 94.89 55.92 -68.32 -37.72 25.76 0.41 73.83 13.99 5.08 7.22 71.09 2.27 0.01 0.17 0.16 9 S H H 60.97 2.78 13.38 16.89 94.41 52.87 -67.69 -39.62 21.34 0.35 78.31 13.63 3.57 4.75 76.33 1.44 0.00 0.14 0.13 10 I H H 96.43 2.78 13.49 17.00 93.11 50.57 -65.90 -41.04 4.87 0.05 95.07 2.33 0.86 1.78 94.29 0.69 0.00 0.02 0.02 11 A H H 58.46 2.05 14.78 16.93 91.99 50.98 -64.04 -41.53 2.55 0.02 97.43 1.07 0.35 1.10 96.94 0.53 0.00 0.01 0.01 12 Q H H 104.19 1.88 15.41 17.04 92.21 49.58 -65.23 -40.66 2.03 0.02 97.95 0.78 0.27 0.94 97.58 0.43 0.00 0.00 0.01 13 A H H 53.36 3.14 13.93 18.17 91.96 50.93 -64.04 -41.16 1.31 0.01 98.68 0.46 0.14 0.61 98.54 0.24 0.00 0.00 0.00 14 R H H 139.70 1.96 15.36 17.35 91.63 50.46 -64.43 -40.38 0.84 0.00 99.15 0.25 0.08 0.42 99.11 0.14 0.00 0.00 0.00 15 K H H 122.11 1.60 15.79 16.76 91.98 50.26 -65.02 -41.22 0.71 0.00 99.28 0.18 0.06 0.37 99.27 0.11 0.00 0.00 0.00 16 L H H 90.08 2.07 15.38 17.40 91.85 49.92 -64.54 -41.68 0.56 0.00 99.43 0.13 0.05 0.30 99.43 0.09 0.00 0.00 0.00 17 V H H 76.92 2.69 14.79 17.94 91.85 49.38 -64.29 -41.75 0.46 0.00 99.54 0.10 0.04 0.24 99.55 0.07 0.00 0.00 0.00 18 E H H 104.70 1.87 15.59 17.19 91.51 50.35 -63.98 -41.20 0.51 0.00 99.49 0.10 0.04 0.28 99.51 0.08 0.00 0.00 0.00 19 Q H H 103.66 1.64 15.45 16.57 91.78 50.33 -64.85 -41.04 0.68 0.00 99.32 0.11 0.05 0.40 99.32 0.11 0.00 0.00 0.00 20 L H H 92.30 2.28 14.60 17.12 91.92 50.23 -64.89 -40.79 0.76 0.00 99.24 0.14 0.06 0.45 99.18 0.17 0.00 0.00 0.00 21 K H H 123.30 2.07 14.94 17.19 91.70 50.54 -64.17 -40.72 1.06 0.00 98.93 0.18 0.08 0.66 98.79 0.28 0.00 0.00 0.00 22 M H H 108.24 1.52 15.64 16.37 92.02 49.76 -64.98 -41.10 2.02 0.01 97.98 0.31 0.16 1.34 97.63 0.55 0.00 0.00 0.00 23 E H H 110.22 1.71 15.55 16.74 91.96 49.96 -65.25 -40.05 4.66 0.01 95.33 0.68 0.41 3.20 94.78 0.91 0.00 0.00 0.01 24 A H H 51.17 3.30 13.46 18.07 92.10 51.40 -65.43 -39.68 14.96 0.05 84.98 2.26 1.52 10.60 84.10 1.45 0.01 0.02 0.03 25 N H H 90.52 2.12 15.21 17.30 93.01 51.94 -66.35 -37.96 27.62 0.11 72.27 6.04 2.51 18.34 71.21 1.77 0.01 0.04 0.07 26 I H H 98.11 1.79 15.22 16.61 92.73 51.81 -65.50 -41.42 13.58 0.09 86.32 4.59 2.45 6.65 84.56 1.65 0.01 0.04 0.06 27 D H H 84.83 2.27 14.79 17.31 92.77 50.17 -66.16 -40.41 9.90 0.08 90.02 4.30 1.33 4.16 88.79 1.34 0.00 0.03 0.04 28 R H H 138.49 2.22 14.55 17.08 92.42 51.05 -65.45 -40.18 5.21 0.04 94.74 1.95 0.72 2.52 93.66 1.11 0.00 0.02 0.02 29 I H H 98.07 1.79 15.22 16.68 92.14 49.90 -64.88 -41.44 2.98 0.03 96.98 1.19 0.41 1.34 96.39 0.63 0.00 0.01 0.01 30 K H H 118.79 1.96 15.69 17.51 92.13 49.94 -64.98 -40.70 2.53 0.03 97.43 1.08 0.32 1.14 96.96 0.47 0.00 0.02 0.01 31 V H H 80.01 2.87 15.03 18.46 92.12 49.56 -64.53 -41.67 1.54 0.01 98.44 0.58 0.19 0.71 98.23 0.28 0.00 0.01 0.00 32 S H H 60.64 2.29 16.02 18.34 91.94 50.50 -64.49 -40.92 1.32 0.01 98.67 0.45 0.13 0.63 98.58 0.20 0.00 0.00 0.00 33 K H H 124.21 1.64 17.18 17.93 92.23 49.57 -65.33 -40.92 1.09 0.01 98.90 0.27 0.11 0.63 98.81 0.17 0.00 0.00 0.00 34 A H H 52.16 2.87 15.80 19.26 91.94 50.14 -64.35 -41.60 0.96 0.00 99.03 0.23 0.08 0.53 99.02 0.13 0.00 0.00 0.00 35 A H H 52.34 3.36 15.40 19.72 91.71 50.69 -63.65 -40.97 0.57 0.00 99.43 0.11 0.04 0.30 99.48 0.08 0.00 0.00 0.00 36 A H H 58.82 2.18 16.57 18.56 91.71 50.91 -63.89 -40.92 0.32 0.00 99.68 0.04 0.02 0.18 99.72 0.04 0.00 0.00 0.00 37 D H H 89.74 1.66 16.92 17.72 92.08 49.71 -65.12 -40.76 0.32 0.00 99.68 0.04 0.01 0.18 99.73 0.04 0.00 0.00 0.00 38 L H H 87.48 3.33 15.22 19.34 91.99 50.41 -64.48 -41.39 0.21 0.00 99.79 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 39 M H H 98.85 3.45 15.34 19.61 91.75 50.44 -64.16 -41.14 0.18 0.00 99.82 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 40 A H H 61.31 1.64 16.61 17.32 91.63 50.40 -63.75 -41.66 0.30 0.00 99.70 0.03 0.01 0.20 99.71 0.05 0.00 0.00 0.00 41 Y H H 126.70 1.97 16.19 17.81 92.12 49.61 -64.30 -41.73 0.47 0.00 99.53 0.04 0.02 0.32 99.50 0.11 0.00 0.00 0.00 42 C H H 49.33 6.61 12.31 20.73 92.28 50.27 -64.77 -40.63 0.66 0.00 99.34 0.06 0.03 0.45 99.26 0.19 0.00 0.00 0.00 43 E H H 119.61 2.42 15.05 18.00 91.74 51.30 -64.77 -38.59 1.57 0.00 98.43 0.08 0.07 1.24 98.13 0.47 0.00 0.00 0.00 44 A H H 73.92 1.19 15.81 15.56 92.27 51.04 -67.59 -34.90 8.30 0.00 91.70 0.15 0.26 8.09 90.61 0.87 0.01 0.00 0.00 45 H H H 100.97 4.03 13.06 18.46 98.11 40.39 -97.83 -8.69 29.92 0.03 70.05 1.02 1.21 27.52 68.18 2.02 0.01 0.01 0.03 46 A H G 39.17 10.34 8.82 20.42 92.57 93.51 -61.52 -34.90 20.81 0.10 79.09 2.23 1.58 16.04 16.34 63.71 0.00 0.06 0.04 47 K H G 158.41 1.25 13.74 15.04 91.59 58.55 -69.42 -24.70 25.48 0.06 74.45 0.91 1.23 22.75 7.52 67.53 0.00 0.04 0.03 48 E H G 151.08 0.92 13.79 13.62 97.01 45.70 -93.97 -5.14 25.93 0.11 73.96 1.57 2.58 20.33 4.16 71.26 0.00 0.05 0.04 49 D C C 54.36 8.98 7.29 17.65 111.14 92.80 -94.21 111.81 99.62 0.28 0.10 74.30 25.05 0.21 0.04 0.04 0.00 0.06 0.29 50 P C T 105.06 2.15 11.48 14.99 92.35 -153.92 -64.70 -22.39 84.89 0.14 14.96 1.80 4.28 77.00 0.65 16.12 0.00 0.07 0.08 51 L C T 116.20 2.83 11.08 15.28 93.37 65.04 -78.58 -12.81 84.19 0.39 15.42 1.70 4.54 76.70 0.80 15.88 0.00 0.21 0.17 52 L C C 88.50 7.34 9.29 17.77 100.15 70.10 -84.24 4.16 70.08 6.60 23.32 28.28 24.04 17.19 2.15 21.36 0.03 2.79 4.16 53 T C C 89.24 3.16 11.96 16.67 117.03 103.01 -105.28 131.32 93.67 4.05 2.27 46.63 36.36 10.58 0.48 2.02 0.00 2.00 1.93 54 P C C 103.48 2.93 12.07 16.62 112.03 -113.10 -69.54 136.67 98.58 0.96 0.46 49.19 40.56 8.71 0.06 0.55 0.00 0.49 0.45 55 V C C 64.45 8.44 7.85 17.75 119.49 -141.69 -103.84 136.28 98.00 1.89 0.11 60.74 37.05 0.34 0.04 0.06 0.00 0.64 1.13 56 P C C 81.41 1.87 14.11 15.91 113.72 -106.65 -65.12 145.27 98.18 1.56 0.26 96.66 1.37 0.29 0.08 0.11 0.00 0.55 0.93 57 A H G 75.92 5.70 8.19 15.70 92.70 -119.41 -59.92 -31.96 46.11 0.32 53.58 3.58 5.21 33.21 1.37 56.33 0.00 0.16 0.13 58 S H G 97.51 0.66 11.88 11.70 93.18 60.78 -73.95 -15.45 45.31 0.13 54.55 1.52 3.28 36.27 1.23 57.58 0.00 0.07 0.05 59 E H G 129.59 2.20 11.37 14.45 98.80 51.71 -91.95 -7.44 39.52 0.42 60.06 4.14 6.85 25.50 1.52 61.64 0.00 0.21 0.16 60 N C C 52.34 9.06 7.85 18.36 111.56 71.30 -104.78 107.57 99.12 0.44 0.43 72.55 25.96 0.50 0.25 0.16 0.00 0.11 0.48 61 P C T 87.98 3.43 11.94 17.10 92.93 -157.90 -64.90 -22.15 71.81 0.16 28.03 4.90 5.16 61.42 12.13 16.13 0.01 0.08 0.17 62 F C T 117.11 5.17 10.68 17.48 94.36 62.42 -83.32 -6.79 67.72 0.32 31.96 4.60 5.15 56.79 16.20 16.79 0.02 0.15 0.30 63 R H H 133.58 4.97 10.31 17.06 97.21 83.94 -72.32 -13.84 48.05 1.09 50.86 23.90 10.25 13.71 26.43 24.57 0.02 0.50 0.63 64 E C C 132.85 2.38 11.91 15.01 100.47 67.10 -82.00 -8.77 50.23 1.30 48.47 30.26 8.55 11.18 29.82 18.92 0.01 0.63 0.63 65 K C H 128.01 4.04 10.35 16.05 105.92 67.96 -85.46 62.94 50.43 1.53 48.04 29.19 9.26 11.84 30.34 17.87 0.02 0.79 0.68 66 K C C 135.75 3.69 10.81 16.15 109.74 81.50 -88.56 117.05 55.76 2.08 42.16 34.46 8.87 12.32 27.20 15.13 0.02 1.14 0.86 67 F C C 133.43 4.02 9.93 15.71 110.84 55.30 -95.46 108.88 60.33 3.06 36.62 38.57 10.22 11.27 23.81 13.20 0.02 1.76 1.15 68 F C C 138.24 3.40 10.29 15.32 106.58 53.64 -97.84 29.84 64.12 4.84 31.05 39.65 11.74 12.46 20.46 11.08 0.03 3.07 1.50 69 C C C 79.91 4.99 8.95 15.65 114.43 65.51 -103.24 120.32 63.90 9.27 26.83 40.49 11.33 12.05 17.15 10.00 0.05 6.89 2.03 70 A C C 77.32 3.04 9.32 14.06 114.95 -156.98 -97.53 127.93 56.40 19.79 23.81 37.73 9.29 9.61 15.83 8.05 0.13 16.52 2.84 71 I C C 123.07 2.91 8.97 13.69 112.33 -154.00 -96.29 119.89 62.44 20.70 16.86 52.24 2.39 7.39 12.41 4.16 0.03 17.10 4.27 72 L C C 108.99 4.73 11.01 17.36 111.79 -160.43 -96.49 118.37 99.29 0.67 0.04 99.27 0.09 0.06 0.02 0.00 0.00 0.53 0.03