# 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 121.63 3.86 10.08 15.78 116.65 -157.67 -99.44 129.90 99.88 0.09 0.03 99.81 0.08 0.03 0.01 0.00 0.00 0.04 0.01 1 P C C 101.70 2.59 8.54 13.02 113.10 -118.23 -74.86 138.79 77.81 6.71 15.49 75.02 1.09 2.65 13.27 1.70 0.00 4.11 2.15 2 V C C 114.80 2.06 7.38 11.22 113.20 -141.14 -94.36 127.08 58.25 12.85 28.90 47.07 5.66 5.24 24.53 5.01 0.03 9.62 2.84 3 M C C 136.87 2.07 7.86 11.60 112.39 -150.85 -94.93 122.83 44.43 14.27 41.30 32.94 5.89 5.79 31.79 9.30 0.05 12.11 2.13 4 L H H 115.34 2.95 8.16 12.95 112.67 -163.17 -97.89 123.95 33.11 13.23 53.65 20.28 6.07 7.69 37.65 15.00 0.13 11.52 1.66 5 N H H 108.76 3.01 9.49 14.14 110.41 -154.26 -95.58 108.21 34.43 12.24 53.33 20.49 5.79 8.56 37.47 15.33 0.11 10.73 1.53 6 I H H 106.50 4.24 9.13 15.16 111.03 -169.85 -95.91 110.53 32.52 13.62 53.86 18.04 6.29 9.19 38.43 14.38 0.23 11.50 1.93 7 F H H 134.37 3.60 10.31 15.52 109.98 51.64 -96.32 102.53 38.88 16.00 45.12 22.00 7.52 10.75 33.61 10.40 0.33 12.65 2.74 8 L C C 99.45 5.27 10.09 16.93 109.33 52.89 -93.95 94.94 55.32 11.76 32.92 31.45 10.61 13.59 25.40 7.71 0.19 8.49 2.56 9 D C C 95.06 3.95 11.14 16.59 107.45 57.67 -92.23 80.22 69.69 5.71 24.60 41.45 13.07 14.65 19.55 5.91 0.05 3.61 1.71 10 D C C 92.68 4.48 10.49 16.47 104.15 71.89 -86.22 22.91 57.85 2.89 39.25 26.91 12.95 18.37 23.15 15.76 0.08 1.56 1.23 11 A C H 70.45 3.74 10.82 16.08 96.92 113.85 -71.57 -22.97 51.07 2.84 46.09 17.41 10.25 23.23 25.16 21.01 0.12 1.68 1.14 12 F C H 126.82 3.98 11.12 16.47 97.85 63.78 -78.07 -18.17 48.53 6.01 45.46 22.09 8.97 17.84 24.35 20.81 0.13 4.08 1.72 13 I C C 90.68 6.17 10.45 18.08 102.69 67.86 -84.38 2.25 61.43 9.15 29.42 41.88 8.87 10.63 20.27 9.37 0.06 6.24 2.68 14 Y C C 130.57 5.46 10.57 17.58 105.23 61.31 -91.22 46.97 77.67 6.40 15.93 58.65 9.09 9.12 12.25 4.54 0.01 4.40 1.94 15 S C C 70.22 4.32 11.05 16.83 106.23 81.91 -87.75 43.43 81.25 4.32 14.43 53.59 10.95 16.19 10.56 4.46 0.01 2.93 1.32 16 N C C 119.41 2.43 11.31 14.88 101.56 50.30 -85.73 11.80 79.90 3.20 16.90 37.91 20.99 21.30 11.33 5.50 0.02 1.78 1.18 17 N C C 90.18 4.89 9.99 16.54 111.22 104.16 -90.63 121.81 75.65 4.19 20.16 44.58 18.26 12.66 14.19 6.41 0.02 2.36 1.52 18 I C C 110.57 3.91 10.17 15.65 99.94 -161.44 -75.06 -20.70 52.95 8.62 38.43 27.90 11.96 14.09 24.88 12.99 0.23 5.65 2.30 19 F H H 128.58 4.01 10.78 16.19 98.51 69.49 -76.52 -27.39 38.43 16.30 45.26 17.77 8.73 13.75 26.71 17.21 0.77 11.81 3.24 20 F H H 118.96 5.45 10.43 17.34 100.68 58.35 -76.71 -14.42 36.08 14.58 49.34 15.21 7.91 14.32 26.47 21.93 0.63 10.66 2.87 21 G C T 45.63 4.38 11.84 17.62 98.90 62.76 -73.56 -24.75 50.65 8.46 40.89 17.50 10.72 22.78 21.64 18.98 0.40 5.81 2.16 22 K C T 142.93 2.50 12.68 16.19 100.31 52.39 -87.99 -3.30 59.83 7.69 32.48 21.50 15.79 23.46 17.17 14.50 0.35 4.77 2.46 23 L C C 77.22 8.09 8.96 18.44 115.92 82.51 -92.19 133.44 83.88 3.28 12.84 50.38 30.07 3.85 10.29 2.52 0.01 1.48 1.39 24 P C C 77.30 4.49 11.72 17.85 106.38 -107.59 -67.66 141.97 63.08 1.48 35.44 47.45 5.99 9.19 20.45 15.47 0.00 0.86 0.59 25 E H G 132.78 2.92 12.04 16.26 97.51 -110.74 -68.99 -26.81 30.89 1.46 67.65 11.76 5.62 13.13 27.43 40.72 0.03 0.88 0.43 26 A H G 62.34 4.26 11.54 17.25 98.23 60.13 -72.25 -25.91 26.56 1.35 72.09 8.94 4.32 12.49 28.45 44.54 0.03 0.86 0.35 27 Y H G 109.56 6.92 10.77 19.09 97.65 56.68 -81.22 -13.27 23.78 1.26 74.95 10.20 4.04 9.52 28.14 46.96 0.02 0.80 0.33 28 A H G 59.56 5.63 11.12 18.55 94.28 81.09 -65.52 -33.47 25.41 1.33 73.27 7.76 4.04 13.39 22.82 50.74 0.03 0.86 0.36 29 I H G 120.76 2.35 13.21 16.14 94.44 54.25 -73.47 -23.90 31.40 1.23 67.37 5.22 4.43 20.61 19.03 49.48 0.04 0.81 0.37 30 F H G 120.15 4.79 11.62 17.86 101.05 53.49 -92.04 -0.96 40.73 2.22 57.06 10.25 8.93 22.57 15.41 40.59 0.09 1.23 0.93 31 D C C 66.36 7.10 10.93 19.75 110.02 98.97 -91.69 110.41 87.02 1.41 11.57 63.98 19.76 3.19 9.55 2.18 0.00 0.54 0.80 32 P H H 81.56 4.67 11.97 18.40 96.36 -153.38 -66.12 -25.00 44.86 1.76 53.38 17.65 6.70 20.86 38.22 14.74 0.08 1.08 0.67 33 I H H 108.59 3.01 12.75 16.86 95.11 60.54 -69.66 -30.35 28.62 4.50 66.87 8.52 4.95 14.84 44.24 22.46 0.49 3.45 1.05 34 V H H 76.26 5.27 11.55 18.33 95.57 55.74 -73.45 -34.23 21.13 4.08 74.79 6.58 3.72 10.31 46.62 28.47 0.31 3.28 0.71 35 D H H 88.26 4.55 13.16 18.92 95.84 56.55 -73.88 -25.97 32.86 2.84 64.30 7.66 4.84 18.53 39.79 26.02 0.37 1.96 0.83 36 V H H 84.37 4.72 12.81 18.75 99.30 48.79 -87.13 -16.61 43.03 4.66 52.31 9.26 8.23 25.26 35.38 16.15 1.09 2.79 1.83 37 M C C 96.01 5.31 12.17 19.15 98.60 73.80 -69.15 -34.83 54.30 5.18 40.52 25.97 14.37 15.32 25.75 13.69 0.18 3.10 1.61 38 P C T 82.50 3.59 13.81 18.37 97.08 57.99 -68.84 -27.54 56.87 2.80 40.33 18.50 8.87 29.57 25.65 14.57 0.08 1.86 0.90 39 I H H 89.14 5.40 13.22 19.79 96.55 58.59 -76.45 -25.73 36.76 3.93 59.31 13.38 6.45 17.88 43.04 15.09 0.37 2.41 1.38 40 I H H 78.54 6.30 13.39 21.10 94.19 71.75 -65.50 -41.51 12.03 1.38 86.59 7.65 2.46 3.32 81.43 3.77 0.02 1.10 0.24 41 P H H 69.29 4.51 14.89 20.53 92.69 51.42 -65.20 -39.34 8.68 1.19 90.14 5.03 1.14 3.10 85.66 3.81 0.02 1.10 0.15 42 V H H 82.59 3.25 15.56 19.22 92.71 51.75 -66.41 -40.05 3.91 0.58 95.50 1.79 0.55 1.79 91.05 4.16 0.01 0.55 0.08 43 L H H 81.41 4.84 15.01 20.74 92.61 51.10 -66.45 -40.41 2.51 0.26 97.23 1.00 0.34 1.26 94.46 2.66 0.01 0.24 0.04 44 F H H 101.89 5.46 14.99 21.48 92.62 50.29 -66.16 -40.50 1.82 0.13 98.05 0.54 0.21 1.08 96.39 1.64 0.01 0.11 0.02 45 F H H 114.14 3.35 15.92 19.83 92.42 50.49 -65.71 -41.07 1.22 0.06 98.72 0.29 0.12 0.77 97.69 1.07 0.00 0.04 0.01 46 L H H 90.63 2.94 16.67 19.60 92.23 49.93 -65.15 -41.58 1.21 0.03 98.77 0.23 0.10 0.80 98.20 0.64 0.00 0.02 0.00 47 L H H 79.60 4.71 16.16 21.60 92.43 49.60 -65.64 -40.73 0.77 0.01 99.22 0.16 0.06 0.46 99.04 0.27 0.00 0.01 0.00 48 A H H 43.88 5.19 14.84 21.68 91.73 51.53 -63.95 -41.45 0.47 0.01 99.53 0.10 0.03 0.27 99.46 0.13 0.00 0.00 0.00 49 F H H 115.11 2.67 16.58 19.30 92.14 50.01 -65.04 -41.12 0.39 0.00 99.60 0.06 0.02 0.26 99.50 0.14 0.00 0.00 0.00 50 V H H 82.81 2.59 16.13 18.57 91.94 49.15 -64.26 -42.44 0.36 0.00 99.63 0.06 0.02 0.23 99.54 0.14 0.00 0.00 0.00 51 W H H 129.54 3.89 14.98 19.62 92.19 48.79 -65.48 -41.08 0.62 0.01 99.38 0.09 0.04 0.41 99.23 0.22 0.00 0.00 0.00 52 Q H H 94.43 3.69 14.26 19.05 92.12 51.34 -64.73 -39.52 1.73 0.01 98.26 0.21 0.11 1.26 97.94 0.47 0.00 0.01 0.00 53 A H H 64.41 2.09 13.44 15.97 92.16 51.97 -65.62 -35.52 6.54 0.03 93.43 0.57 0.41 5.22 92.75 1.02 0.01 0.01 0.01 54 A H H 68.95 2.55 11.57 14.98 93.77 54.18 -70.48 -29.11 17.80 0.14 82.06 2.47 1.67 13.31 80.62 1.76 0.03 0.06 0.07 55 V H H 93.93 3.38 9.46 14.35 99.83 59.48 -82.46 -17.00 39.08 1.66 59.26 11.34 6.88 22.46 54.90 2.78 0.13 0.77 0.73 56 S C H 83.56 1.91 9.06 12.26 105.59 77.04 -83.53 46.92 61.82 4.05 34.13 26.26 9.03 26.74 30.54 3.70 0.06 2.22 1.47 57 F C C 159.09 1.90 7.26 10.75 106.12 103.92 -87.00 54.75 82.62 2.58 14.81 64.46 2.08 15.88 12.57 2.36 0.00 1.43 1.21 58 R C C 170.79 2.14 9.74 13.48 109.72 98.28 -89.83 107.71 99.88 0.08 0.04 99.76 0.09 0.07 0.02 0.00 0.00 0.04 0.01