# 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 128.31 3.84 10.96 16.46 117.71 -165.04 -95.70 134.83 99.78 0.19 0.03 99.73 0.10 0.03 0.01 0.00 0.00 0.09 0.03 1 A C C 76.98 3.68 8.21 13.83 115.72 -136.42 -89.39 141.74 87.33 6.21 6.46 84.11 1.21 2.82 4.29 1.41 0.00 3.67 2.49 2 K C C 150.94 2.15 8.85 12.81 115.54 -134.42 -92.61 137.45 82.21 7.20 10.60 64.20 11.21 6.13 7.78 3.37 0.00 4.39 2.90 3 S C C 68.96 4.59 7.72 14.18 115.81 -117.07 -83.20 144.98 80.12 4.20 15.69 66.74 7.47 5.52 11.51 4.51 0.00 2.39 1.86 4 K C H 161.83 1.56 10.96 13.34 97.41 -133.62 -74.24 -20.00 63.22 1.51 35.28 24.75 16.28 22.98 27.34 7.15 0.04 0.72 0.74 5 N C H 99.20 3.71 9.99 15.33 104.16 58.53 -95.94 41.01 61.77 1.22 37.01 25.60 14.71 22.74 28.82 6.86 0.04 0.52 0.70 6 H H H 112.46 5.31 9.85 16.75 104.24 133.06 -85.94 29.06 46.16 1.24 52.61 29.88 9.66 8.01 45.84 5.45 0.01 0.53 0.62 7 T H H 82.96 3.54 11.93 16.72 103.85 107.49 -84.92 -10.19 38.01 1.05 60.94 23.12 7.63 8.89 54.71 4.70 0.02 0.51 0.43 8 A H H 63.99 3.79 12.31 17.33 100.25 54.93 -74.88 -26.79 30.56 0.79 68.65 17.11 7.00 8.12 62.75 4.31 0.02 0.38 0.31 9 H H H 102.16 5.08 11.98 18.50 98.77 82.46 -74.30 -33.96 25.52 0.65 73.83 13.84 5.87 7.56 68.46 3.68 0.02 0.31 0.26 10 N H H 86.99 4.06 13.19 18.32 96.83 56.77 -71.34 -32.85 23.76 0.55 75.68 13.67 4.45 7.16 70.86 3.35 0.01 0.27 0.22 11 Q H H 104.68 3.57 13.60 18.06 95.44 56.04 -70.35 -34.95 18.25 0.45 81.29 9.47 3.73 6.30 77.06 3.02 0.02 0.22 0.17 12 T H H 68.30 5.02 12.88 19.22 96.32 53.78 -71.53 -36.16 19.13 0.50 80.36 10.64 3.49 6.07 76.89 2.46 0.01 0.25 0.18 13 R H H 130.48 2.95 14.26 17.88 94.38 54.06 -67.77 -39.24 15.05 0.44 84.51 7.19 3.05 5.79 81.23 2.33 0.03 0.22 0.16 14 K H H 105.02 3.06 13.98 17.85 93.59 53.31 -66.82 -39.91 10.98 0.38 88.63 5.23 2.20 4.68 85.03 2.49 0.04 0.21 0.13 15 A H H 44.43 5.73 11.19 18.91 93.15 53.23 -66.60 -40.06 8.64 0.34 91.02 4.08 1.43 3.91 86.45 3.79 0.03 0.21 0.10 16 H H H 121.49 3.01 12.09 16.18 94.63 49.28 -70.91 -34.68 10.11 0.47 89.42 3.95 1.63 5.40 83.42 5.08 0.06 0.29 0.16 17 R H H 166.73 1.46 12.38 13.95 96.14 50.69 -75.44 -31.93 15.87 0.38 83.75 3.32 2.49 10.79 78.28 4.62 0.11 0.20 0.18 18 N H H 106.63 2.45 11.29 14.60 100.21 29.63 -97.14 1.22 38.31 0.28 61.41 4.46 6.05 28.05 58.86 2.22 0.08 0.10 0.19 19 G C T 51.96 2.73 11.06 15.21 99.09 -112.60 78.83 9.55 95.82 0.73 3.45 32.21 25.20 38.74 1.27 1.90 0.00 0.35 0.34 20 I C C 99.03 5.00 8.57 15.51 114.24 130.56 -91.03 134.22 91.68 4.47 3.85 56.76 26.13 8.54 1.20 2.56 0.00 1.91 2.91 21 K C C 150.74 1.75 11.69 14.55 116.27 -142.37 -93.78 138.66 94.28 3.16 2.56 68.72 21.01 4.26 0.91 1.59 0.00 1.36 2.15 22 K C C 130.90 5.19 9.20 16.35 115.29 -112.23 -79.91 136.28 99.08 0.67 0.25 79.86 18.82 0.48 0.10 0.12 0.00 0.28 0.35 23 P C C 72.79 5.83 8.18 15.97 113.90 -108.63 -65.02 148.91 94.81 0.73 4.46 85.56 4.90 4.20 0.97 3.57 0.00 0.32 0.48 24 K C C 173.42 0.87 10.31 11.32 96.55 -124.50 -71.44 -21.10 83.23 0.96 15.82 43.53 23.55 14.95 2.41 14.42 0.00 0.38 0.75 25 T C S 105.07 1.58 9.44 11.98 102.36 60.38 -93.10 -7.16 77.40 1.17 21.43 27.69 28.37 21.00 2.87 18.76 0.00 0.50 0.82 26 Y C C 150.50 4.11 8.64 14.43 104.39 51.10 -95.36 46.89 79.89 1.29 18.81 47.59 16.43 14.32 2.92 17.32 0.00 0.63 0.78 27 K C C 132.16 3.98 9.51 15.26 105.21 106.82 -87.58 51.89 87.71 1.71 10.58 60.09 17.70 9.05 3.10 7.82 0.00 0.70 1.53 28 Y C C 112.47 6.11 8.65 16.45 111.99 86.13 -101.75 115.65 93.63 0.94 5.43 65.87 25.23 2.37 2.65 2.55 0.00 0.29 1.04 29 P H G 102.05 2.19 12.11 15.52 94.26 -154.12 -63.33 -28.68 28.23 0.37 71.40 7.45 3.82 14.78 3.83 69.82 0.00 0.22 0.09 30 S H G 78.52 2.61 11.86 15.61 93.23 64.03 -73.38 -14.55 27.75 0.27 71.98 4.07 3.18 17.95 4.00 70.58 0.00 0.16 0.07 31 L H G 60.43 11.15 8.39 20.17 95.71 57.25 -92.09 -3.00 30.85 0.38 68.77 9.08 4.77 14.31 2.55 68.97 0.00 0.22 0.10 32 K C T 141.41 3.05 10.62 16.23 111.20 120.06 -63.69 133.02 97.09 0.27 2.63 3.52 3.66 90.29 0.70 1.45 0.00 0.11 0.26 33 G C T 66.41 0.51 14.11 12.68 95.08 17.97 83.47 0.04 98.99 0.11 0.90 2.17 5.45 91.42 0.12 0.73 0.00 0.07 0.04 34 V C C 55.39 10.18 7.07 18.20 120.25 119.58 -81.44 146.48 97.02 2.72 0.26 60.84 34.76 0.38 0.12 0.09 0.00 0.46 3.33 35 D C C 78.18 3.14 12.99 17.26 112.94 -104.59 -68.81 142.26 99.78 0.20 0.02 99.14 0.66 0.01 0.01 0.00 0.00 0.04 0.14 36 P H H 92.89 3.02 11.96 16.54 91.91 -122.95 -58.23 -36.35 2.71 0.00 97.29 0.18 0.17 2.25 96.64 0.75 0.00 0.00 0.00 37 K H H 134.50 1.70 14.26 15.95 91.60 54.10 -64.89 -39.84 1.37 0.00 98.63 0.07 0.07 1.18 97.77 0.91 0.00 0.00 0.00 38 F H H 93.95 4.30 13.43 19.08 92.16 48.84 -65.97 -40.59 0.30 0.00 99.70 0.04 0.02 0.19 99.13 0.62 0.00 0.00 0.00 39 R H H 107.46 4.99 14.30 20.67 91.95 51.57 -63.82 -42.23 0.16 0.00 99.84 0.02 0.01 0.09 99.73 0.15 0.00 0.00 0.00 40 R H H 127.68 2.46 16.78 19.24 91.63 49.51 -63.96 -41.88 0.33 0.00 99.67 0.02 0.01 0.24 99.61 0.11 0.00 0.00 0.00 41 N H H 77.19 3.85 16.45 21.02 91.94 49.39 -64.76 -40.71 0.91 0.00 99.09 0.08 0.05 0.68 99.04 0.16 0.00 0.00 0.00 42 H H H 86.44 5.75 16.27 23.16 92.19 50.77 -64.74 -40.86 0.64 0.00 99.36 0.09 0.04 0.40 99.12 0.35 0.00 0.00 0.00 43 K H H 102.09 3.70 17.63 21.84 91.87 50.99 -64.29 -42.04 0.69 0.00 99.31 0.08 0.04 0.46 98.84 0.56 0.00 0.00 0.00 44 H H H 92.16 3.63 16.61 20.96 92.00 50.02 -64.73 -41.10 1.23 0.00 98.77 0.16 0.09 0.81 98.04 0.89 0.00 0.00 0.00 45 A H H 46.87 5.56 14.27 21.45 92.04 51.42 -64.62 -39.80 2.79 0.01 97.20 0.41 0.21 1.85 96.33 1.19 0.00 0.00 0.00 46 L H H 99.09 4.16 15.54 20.53 92.49 50.74 -67.93 -34.96 9.63 0.05 90.32 0.79 0.72 7.83 89.08 1.53 0.02 0.02 0.02 47 H H H 127.87 2.66 15.18 18.06 95.81 49.12 -82.84 -11.60 35.75 0.13 64.12 1.61 2.72 30.78 63.27 1.44 0.05 0.04 0.08 48 G C T 42.53 5.22 13.42 19.83 101.49 5.45 59.83 -0.78 74.55 0.62 24.82 11.52 10.77 49.90 25.60 1.62 0.02 0.22 0.34 49 T C C 63.24 4.42 13.30 19.06 120.68 99.64 -88.98 160.43 57.89 1.19 40.92 42.88 9.64 3.67 41.85 0.99 0.00 0.34 0.63 50 A H H 74.35 3.35 13.61 18.17 93.40 -99.51 -61.97 -37.86 4.34 0.04 95.62 1.53 0.78 1.92 95.04 0.69 0.01 0.02 0.01 51 K H H 139.66 1.39 15.87 16.65 92.21 52.22 -64.60 -40.90 2.35 0.03 97.62 0.75 0.32 1.22 96.96 0.72 0.01 0.01 0.01 52 A H H 37.52 4.75 13.12 20.04 92.11 50.13 -64.09 -41.56 1.54 0.02 98.43 0.56 0.19 0.75 97.80 0.68 0.00 0.01 0.00 53 L H H 66.69 4.95 13.08 19.83 91.86 50.14 -64.25 -41.28 1.13 0.01 98.85 0.38 0.13 0.55 98.51 0.43 0.00 0.00 0.00 54 A H H 55.23 2.29 13.64 16.63 91.61 50.58 -63.83 -40.67 1.62 0.01 98.37 0.40 0.15 0.92 98.01 0.51 0.00 0.01 0.00 55 A H H 66.47 1.91 12.59 14.99 92.10 51.03 -65.33 -37.94 4.43 0.02 95.56 0.61 0.34 3.10 94.98 0.95 0.01 0.01 0.01 56 A H H 73.15 2.95 10.12 14.52 92.65 53.57 -68.97 -30.07 17.98 0.04 81.98 1.44 1.13 14.75 81.40 1.22 0.01 0.01 0.03 57 K H H 150.48 1.69 9.79 12.56 96.04 55.50 -79.13 -12.22 49.66 0.17 50.17 13.00 1.27 32.97 51.29 1.30 0.00 0.06 0.11 58 K C C 150.80 2.19 11.39 14.84 103.47 98.59 -74.93 86.01 99.87 0.04 0.09 99.51 0.18 0.20 0.08 0.01 0.00 0.02 0.01