# 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 125.53 3.70 10.31 15.68 114.71 -150.64 -91.79 134.65 99.91 0.06 0.02 99.82 0.10 0.04 0.01 0.00 0.00 0.02 0.01 1 A C C 79.38 2.86 8.52 13.14 111.35 -130.86 -82.40 134.73 84.99 1.36 13.65 79.45 1.24 5.27 10.81 1.87 0.00 0.65 0.71 2 S C C 85.32 2.02 8.71 12.14 108.57 -131.90 -86.47 120.28 74.06 1.64 24.30 50.43 11.40 11.60 20.42 4.50 0.00 0.73 0.91 3 N C H 117.08 2.37 9.26 12.99 104.49 -133.31 -84.97 21.27 54.20 1.02 44.78 28.22 13.83 13.82 37.30 5.83 0.02 0.41 0.57 4 N H H 102.05 3.32 9.94 14.72 103.15 95.99 -80.59 -6.09 42.00 0.73 57.27 22.51 9.84 11.56 50.14 5.25 0.02 0.30 0.37 5 T H H 88.86 2.95 11.39 15.51 97.38 75.17 -71.14 -31.69 27.07 0.50 72.43 14.48 5.92 8.20 66.73 4.20 0.02 0.23 0.22 6 A H H 66.23 2.54 12.51 15.84 95.60 56.24 -68.83 -36.70 23.90 0.41 75.69 13.41 4.52 6.83 72.10 2.78 0.01 0.19 0.16 7 S H H 60.55 3.04 13.20 17.15 95.01 54.19 -68.01 -39.24 18.04 0.30 81.66 11.38 3.14 4.32 79.22 1.69 0.00 0.13 0.12 8 I H H 91.07 3.47 13.28 17.74 93.26 51.70 -65.56 -41.22 4.47 0.05 95.48 2.18 0.78 1.59 94.71 0.69 0.00 0.02 0.02 9 A H H 57.04 2.19 15.00 17.41 91.95 51.06 -63.82 -41.36 2.43 0.02 97.55 1.05 0.32 1.01 97.10 0.50 0.00 0.01 0.01 10 Q H H 102.56 1.96 15.71 17.43 92.16 49.54 -65.51 -40.60 1.91 0.02 98.08 0.74 0.24 0.85 97.75 0.40 0.00 0.01 0.00 11 A H H 50.48 3.82 14.01 19.14 91.94 51.07 -63.97 -41.14 1.32 0.01 98.68 0.47 0.13 0.60 98.55 0.24 0.00 0.00 0.00 12 R H H 137.17 2.41 15.67 18.38 91.75 50.85 -64.35 -40.32 0.89 0.00 99.10 0.26 0.08 0.44 99.07 0.15 0.00 0.00 0.00 13 K H H 122.61 1.63 16.30 17.24 92.02 50.36 -65.12 -41.11 0.73 0.00 99.27 0.18 0.06 0.38 99.26 0.11 0.00 0.00 0.00 14 L H H 86.73 2.47 15.62 18.31 92.01 49.84 -64.60 -41.62 0.60 0.00 99.40 0.14 0.05 0.32 99.39 0.10 0.00 0.00 0.00 15 V H H 72.21 3.47 14.83 19.07 91.93 49.61 -64.29 -41.74 0.50 0.00 99.50 0.11 0.04 0.26 99.50 0.09 0.00 0.00 0.00 16 E H H 103.28 2.05 15.81 17.71 91.75 50.49 -63.86 -41.02 0.57 0.00 99.43 0.11 0.04 0.32 99.42 0.11 0.00 0.00 0.00 17 Q H H 102.53 1.70 15.47 16.71 91.81 50.28 -64.76 -40.89 0.87 0.00 99.13 0.15 0.07 0.53 99.06 0.19 0.00 0.00 0.00 18 L H H 88.63 2.83 14.09 17.58 92.07 50.42 -65.17 -40.54 1.27 0.00 98.72 0.24 0.11 0.76 98.51 0.37 0.00 0.00 0.00 19 K H H 122.05 2.47 14.30 17.30 91.86 51.08 -64.51 -39.89 2.33 0.01 97.66 0.45 0.20 1.46 97.10 0.77 0.00 0.00 0.00 20 M H H 113.87 1.54 14.80 15.85 92.48 49.90 -66.08 -39.62 5.04 0.03 94.93 0.86 0.48 3.41 93.77 1.44 0.01 0.01 0.01 21 E H H 116.71 1.93 14.13 16.08 93.08 50.25 -68.36 -34.52 11.38 0.07 88.55 2.17 1.34 7.61 86.86 1.94 0.02 0.03 0.04 22 A H H 56.04 4.40 11.63 17.64 95.51 58.10 -70.04 -30.78 32.31 0.25 67.43 7.01 4.42 20.96 64.71 2.62 0.04 0.09 0.16 23 N C H 102.58 2.60 13.58 16.92 98.20 58.92 -74.92 -5.81 53.75 0.44 45.80 17.31 5.99 30.07 42.85 3.33 0.01 0.17 0.26 24 I H H 97.49 3.24 12.56 16.84 98.70 76.76 -74.34 -33.57 41.78 0.61 57.61 20.87 9.76 11.44 54.79 2.61 0.01 0.23 0.29 25 D H H 89.18 2.66 13.36 16.69 98.04 54.50 -71.27 -36.54 30.42 0.35 69.23 19.61 3.96 6.61 67.67 1.86 0.00 0.14 0.14 26 R H H 145.85 2.68 13.03 16.59 93.98 52.62 -66.46 -38.03 11.50 0.14 88.36 5.39 1.93 4.46 86.21 1.89 0.01 0.07 0.06 27 I H H 101.15 1.89 14.49 16.30 92.84 51.48 -65.87 -40.72 6.85 0.12 93.03 3.24 1.09 2.72 91.49 1.36 0.01 0.06 0.04 28 K H H 115.20 2.37 15.25 17.85 92.53 50.38 -65.68 -40.20 5.02 0.09 94.89 2.67 0.75 1.86 93.66 0.97 0.00 0.04 0.03 29 V H H 73.61 3.91 14.33 19.40 92.43 50.21 -65.15 -41.58 2.33 0.03 97.65 1.09 0.32 0.94 97.19 0.44 0.00 0.01 0.01 30 S H H 59.26 2.67 16.04 19.02 92.12 50.85 -64.63 -40.98 1.76 0.02 98.22 0.72 0.20 0.76 98.00 0.30 0.00 0.01 0.01 31 K H H 124.27 1.66 17.51 18.26 92.35 49.65 -65.51 -41.10 1.22 0.01 98.77 0.39 0.15 0.62 98.63 0.21 0.00 0.00 0.00 32 A H H 49.78 3.35 15.82 19.98 92.09 50.29 -64.10 -41.69 1.03 0.00 98.97 0.30 0.10 0.52 98.91 0.15 0.00 0.00 0.00 33 A H H 50.05 3.99 15.44 20.65 91.84 50.66 -63.52 -41.10 0.60 0.00 99.40 0.13 0.05 0.31 99.42 0.09 0.00 0.00 0.00 34 A H H 58.88 2.25 16.87 18.90 91.72 50.82 -63.87 -41.05 0.32 0.00 99.68 0.05 0.02 0.18 99.70 0.05 0.00 0.00 0.00 35 D H H 89.34 1.71 17.18 18.01 92.06 49.61 -65.12 -40.53 0.38 0.00 99.62 0.05 0.02 0.23 99.66 0.04 0.00 0.00 0.00 36 L H H 84.26 3.84 15.29 20.07 91.95 50.35 -64.49 -41.36 0.27 0.00 99.73 0.03 0.01 0.16 99.76 0.04 0.00 0.00 0.00 37 M H H 95.92 3.88 15.48 20.32 91.79 50.73 -64.01 -41.17 0.19 0.00 99.81 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 38 A H H 62.05 1.61 17.08 17.58 91.62 50.49 -63.76 -41.57 0.30 0.00 99.70 0.03 0.01 0.20 99.70 0.06 0.00 0.00 0.00 39 Y H H 125.58 2.09 16.52 18.28 92.14 49.55 -64.65 -41.66 0.50 0.00 99.50 0.04 0.02 0.35 99.47 0.12 0.00 0.00 0.00 40 C H H 46.96 7.03 12.64 21.44 92.20 50.16 -64.66 -40.80 0.68 0.00 99.32 0.07 0.04 0.46 99.25 0.18 0.00 0.00 0.00 41 E H H 113.84 2.73 15.54 18.82 91.73 51.22 -64.22 -39.72 1.34 0.00 98.66 0.09 0.06 1.01 98.39 0.44 0.00 0.00 0.00 42 A H H 69.16 1.28 16.47 16.23 92.47 50.60 -66.05 -37.96 6.20 0.00 93.79 0.15 0.22 5.84 92.94 0.85 0.01 0.00 0.00 43 H H H 99.34 3.96 13.82 18.90 96.09 40.44 -83.67 -18.71 18.35 0.02 81.63 0.68 0.87 16.89 79.87 1.64 0.02 0.00 0.02 44 A H G 38.71 9.99 9.27 20.58 92.46 72.93 -63.42 -33.95 21.41 0.11 78.48 2.45 1.59 15.22 35.82 44.78 0.01 0.06 0.07 45 K H G 156.39 1.31 13.90 15.30 91.78 58.16 -69.19 -26.54 32.91 0.07 67.02 1.16 1.50 29.72 18.37 49.14 0.01 0.04 0.06 46 E H G 151.89 0.87 13.79 13.47 97.04 44.75 -94.73 -8.00 36.39 0.13 63.48 2.00 3.56 29.77 10.77 53.73 0.01 0.06 0.10 47 D C C 56.11 8.56 7.41 17.46 111.03 90.27 -98.91 111.37 99.66 0.25 0.09 76.75 22.65 0.21 0.04 0.04 0.00 0.05 0.26 48 P C T 104.99 2.20 11.37 15.01 92.40 -153.43 -65.00 -22.78 84.69 0.15 15.15 2.17 4.30 76.29 0.63 16.44 0.00 0.07 0.08 49 L C T 116.70 2.73 11.08 15.18 93.28 64.91 -78.61 -12.70 83.78 0.47 15.75 2.02 4.43 76.03 0.83 16.24 0.00 0.27 0.19 50 L C C 88.30 7.32 9.13 17.71 100.84 74.76 -83.13 8.05 69.36 7.02 23.62 31.87 22.34 14.81 2.34 21.38 0.03 3.14 4.07 51 T C C 89.81 3.08 11.81 16.45 117.83 107.10 -105.09 132.03 92.84 4.78 2.37 49.60 32.08 11.12 0.49 2.11 0.00 2.41 2.19 52 P C C 105.26 2.67 12.01 16.25 111.87 -107.51 -69.69 139.19 98.46 1.09 0.45 47.87 41.41 9.10 0.06 0.52 0.00 0.57 0.48 53 V C C 65.62 8.50 7.79 17.73 118.98 -144.18 -102.20 136.94 98.17 1.70 0.13 65.34 32.62 0.35 0.05 0.07 0.00 0.60 0.98 54 P C C 81.13 1.89 14.10 15.95 112.92 -105.96 -64.66 144.15 98.19 1.48 0.33 96.75 1.28 0.32 0.10 0.14 0.00 0.51 0.90 55 A H G 74.02 6.10 8.09 15.91 92.72 -121.61 -60.72 -31.62 37.90 0.35 61.75 4.22 4.70 25.20 1.33 64.26 0.00 0.19 0.10 56 S H G 97.39 0.67 11.89 11.76 92.99 62.10 -72.78 -15.52 37.84 0.15 62.01 1.64 2.96 28.98 1.19 65.11 0.00 0.08 0.04 57 E H G 131.28 2.04 11.47 14.30 98.04 51.68 -92.33 -6.24 32.85 0.38 66.77 3.91 5.68 20.33 1.34 68.43 0.00 0.19 0.11 58 N C C 50.17 9.39 7.49 18.24 111.58 79.07 -104.13 110.10 99.14 0.48 0.38 69.69 28.81 0.52 0.20 0.15 0.00 0.11 0.52 59 P C T 89.84 3.25 11.97 16.87 92.75 -156.51 -64.82 -21.99 73.69 0.20 26.11 5.37 6.43 61.41 10.99 15.47 0.01 0.09 0.21 60 F C T 119.51 4.90 10.51 17.03 94.62 61.95 -83.68 -6.36 68.95 0.44 30.60 5.19 6.39 56.13 15.08 16.55 0.03 0.22 0.41 61 R C C 136.43 4.65 10.17 16.62 97.88 85.90 -73.92 -12.14 52.47 1.40 46.13 24.11 12.06 16.39 22.36 23.59 0.03 0.65 0.82 62 E C C 134.14 2.22 11.71 14.72 101.29 65.41 -82.62 -2.00 54.80 1.51 43.69 32.64 9.18 12.71 25.62 18.35 0.01 0.73 0.75 63 K C C 125.06 4.52 9.84 16.07 107.99 73.08 -85.57 87.90 56.00 1.68 42.32 32.55 10.51 12.88 26.03 16.36 0.03 0.81 0.82 64 K C C 138.05 3.49 10.79 15.87 111.16 60.53 -88.49 122.74 61.03 1.97 37.00 36.94 10.71 13.33 23.82 13.27 0.02 1.01 0.90 65 F C C 136.57 3.71 10.03 15.46 113.68 -139.95 -96.98 125.34 66.02 2.53 31.45 42.84 11.87 11.07 20.16 11.60 0.01 1.37 1.06 66 F C C 138.11 3.46 10.24 15.37 110.03 -149.18 -101.37 112.51 68.46 4.21 27.33 43.94 11.99 12.21 17.43 10.40 0.02 2.63 1.39 67 C C C 77.93 5.56 8.59 15.80 114.23 -144.62 -102.56 127.45 66.71 8.70 24.59 43.58 11.53 11.51 14.87 10.02 0.03 6.46 2.00 68 A C C 76.99 3.06 9.68 14.40 114.84 -158.81 -98.83 130.55 56.35 20.95 22.70 38.64 8.92 9.00 14.27 8.38 0.11 17.81 2.87 69 I C C 120.55 3.29 9.32 14.41 112.98 -152.52 -96.00 122.43 61.15 22.48 16.37 51.86 2.26 6.79 11.58 4.33 0.03 18.95 4.19 70 L C C 105.03 5.36 11.30 18.18 111.76 -158.18 -96.07 119.48 99.00 0.95 0.05 98.98 0.11 0.06 0.03 0.00 0.00 0.79 0.04