# 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 123.45 4.49 10.80 16.67 115.12 -159.97 -93.70 130.57 99.84 0.14 0.02 99.77 0.10 0.04 0.01 0.00 0.00 0.06 0.02 1 A C C 77.58 3.62 8.08 13.51 113.03 -147.18 -90.50 134.67 92.67 4.35 2.98 88.08 1.35 3.87 1.19 1.06 0.00 2.43 2.00 2 T C C 106.21 1.88 8.22 11.64 111.25 -151.72 -95.21 117.31 91.74 4.79 3.46 65.05 16.03 10.59 1.04 2.43 0.00 2.86 1.99 3 Q C C 130.83 2.89 7.95 12.64 112.12 -150.24 -91.55 119.51 93.48 3.29 3.23 59.58 25.26 8.58 0.94 2.28 0.00 1.65 1.72 4 N C C 98.86 3.18 8.47 13.42 111.93 -155.20 -98.29 114.09 97.46 1.16 1.39 78.73 15.82 2.82 0.51 0.86 0.00 0.54 0.73 5 P C C 103.67 3.39 7.72 13.05 96.86 -153.50 -70.96 -13.57 96.69 0.39 2.92 48.67 11.82 36.29 0.69 2.13 0.00 0.21 0.19 6 N C C 134.54 0.89 9.87 10.73 98.27 63.20 -86.07 -2.65 95.64 0.60 3.76 41.12 19.66 34.94 0.89 2.80 0.00 0.28 0.32 7 Q C C 115.27 2.84 8.31 13.00 116.24 90.00 -94.78 131.52 94.62 1.12 4.26 51.74 40.72 2.39 2.51 1.53 0.00 0.40 0.71 8 P C C 102.44 2.45 9.13 13.31 111.87 -112.42 -68.64 143.38 87.68 2.04 10.29 73.08 7.12 7.66 5.29 4.69 0.00 1.11 1.04 9 V C C 103.11 3.82 8.03 13.71 112.84 -135.14 -92.82 130.54 80.38 5.90 13.71 54.44 14.23 11.60 8.25 5.63 0.01 3.23 2.61 10 T C C 100.53 2.31 10.09 13.99 113.50 -154.71 -100.66 125.24 75.55 7.57 16.88 51.26 14.91 9.19 11.58 5.60 0.03 4.23 3.20 11 Y C C 133.00 4.73 8.11 14.69 115.97 -150.86 -99.92 130.26 70.04 2.95 27.01 50.71 15.24 3.76 26.10 1.85 0.00 1.40 0.94 12 P C H 89.83 2.53 10.97 14.57 102.66 -117.49 -68.35 60.38 49.27 1.59 49.14 35.66 5.12 7.45 48.41 2.04 0.01 0.90 0.42 13 I H H 108.85 2.43 10.57 13.95 101.34 53.36 -73.47 -35.93 20.69 1.47 77.84 13.58 3.20 4.73 75.41 1.81 0.01 0.92 0.33 14 F H H 119.57 2.94 10.94 15.15 95.53 52.41 -70.53 -35.77 11.77 1.46 86.77 8.32 1.62 2.56 84.60 1.56 0.00 1.10 0.25 15 T H H 76.47 2.86 11.85 15.82 93.53 53.64 -66.94 -38.86 5.71 0.68 93.62 3.72 0.81 1.59 92.26 0.97 0.00 0.55 0.09 16 V H H 89.75 1.84 13.07 15.12 92.65 50.67 -65.85 -40.33 2.03 0.14 97.82 0.99 0.28 0.83 97.34 0.44 0.00 0.11 0.02 17 R H H 133.67 2.12 13.58 16.12 92.43 50.64 -65.48 -40.91 1.25 0.06 98.69 0.52 0.15 0.60 98.40 0.27 0.00 0.04 0.01 18 W H H 130.37 3.27 13.09 17.56 92.37 50.11 -65.63 -41.56 0.77 0.02 99.21 0.27 0.09 0.42 99.01 0.20 0.00 0.01 0.00 19 L H H 92.70 2.31 14.14 16.94 91.87 50.29 -64.55 -41.26 0.57 0.01 99.42 0.17 0.06 0.32 99.27 0.17 0.00 0.01 0.00 20 A H H 60.87 1.89 14.55 16.41 91.93 50.34 -64.56 -41.08 0.94 0.01 99.05 0.20 0.08 0.61 98.88 0.22 0.00 0.01 0.00 21 V H H 80.92 2.41 14.16 17.03 92.69 48.87 -66.04 -41.25 1.48 0.02 98.51 0.25 0.13 1.03 98.27 0.31 0.01 0.01 0.00 22 H H H 105.86 3.15 13.25 17.55 92.58 50.16 -66.60 -38.73 2.43 0.02 97.55 0.46 0.21 1.64 96.66 1.02 0.01 0.01 0.01 23 T H H 81.93 2.33 13.40 16.37 93.17 51.63 -67.35 -36.75 6.40 0.02 93.58 0.61 0.43 5.05 91.33 2.55 0.01 0.01 0.01 24 L H H 114.27 1.66 13.33 15.02 94.34 50.85 -72.47 -29.63 15.22 0.05 84.73 1.10 1.07 12.88 82.17 2.71 0.03 0.02 0.03 25 A H H 69.36 2.65 12.34 15.87 96.32 52.40 -78.73 -23.27 28.29 0.26 71.45 3.87 3.82 21.09 68.45 2.43 0.08 0.10 0.17 26 V H H 82.03 4.00 10.98 16.57 106.56 72.73 -79.83 112.60 49.20 0.99 49.82 24.14 17.62 8.24 46.21 2.93 0.03 0.34 0.48 27 P H H 81.51 2.80 12.51 16.24 101.02 35.94 -68.86 -7.51 49.31 1.02 49.66 37.06 3.80 7.54 47.24 3.49 0.00 0.58 0.29 28 S H H 67.63 3.32 11.70 16.28 96.50 63.08 -69.61 -33.84 27.14 2.33 70.53 18.52 3.78 6.35 64.10 5.03 0.02 1.72 0.49 29 V H H 99.46 1.68 12.95 14.71 94.37 56.25 -67.27 -39.27 8.66 1.14 90.20 5.02 1.53 2.88 86.23 3.11 0.02 1.08 0.13 30 F H H 129.60 1.81 13.24 15.23 93.18 51.31 -66.73 -40.02 6.72 1.14 92.14 3.31 1.05 2.74 88.69 2.90 0.03 1.18 0.10 31 F H H 115.35 2.91 12.69 16.66 93.28 50.05 -66.87 -40.22 6.02 0.77 93.21 2.81 0.92 2.67 90.57 2.19 0.03 0.72 0.09 32 V H H 89.73 2.05 13.68 16.08 92.34 50.62 -64.83 -40.78 2.98 0.12 96.91 1.15 0.42 1.46 95.73 1.13 0.01 0.08 0.02 33 G H H 40.52 1.81 14.14 15.96 92.36 50.37 -64.75 -40.56 2.72 0.05 97.23 0.84 0.33 1.50 96.24 1.04 0.00 0.03 0.01 34 A H H 56.36 2.51 13.28 16.66 92.57 50.60 -65.56 -40.39 2.42 0.05 97.53 0.73 0.28 1.35 96.52 1.07 0.01 0.03 0.01 35 I H H 91.39 2.56 12.95 16.36 92.50 50.13 -65.30 -40.84 2.31 0.05 97.64 0.71 0.28 1.27 96.58 1.10 0.00 0.03 0.01 36 A H H 65.14 1.75 13.10 15.04 92.44 51.11 -65.69 -38.93 4.65 0.05 95.30 1.16 0.49 2.81 94.01 1.48 0.01 0.03 0.01 37 A H H 73.03 1.43 11.78 13.32 93.29 52.25 -67.96 -33.55 13.79 0.10 86.11 2.47 1.30 9.81 83.92 2.39 0.02 0.05 0.05 38 M H H 119.19 2.21 9.72 13.20 97.38 58.10 -78.14 -20.42 24.47 0.45 75.08 8.63 3.63 13.02 69.85 4.39 0.04 0.23 0.20 39 Q H H 128.59 1.77 8.81 11.89 101.35 73.88 -78.64 -10.90 36.55 1.79 61.65 16.85 5.74 15.20 53.96 6.45 0.08 1.11 0.62 40 F H H 159.71 1.31 7.88 10.27 104.14 75.93 -84.20 8.85 44.54 3.85 51.61 22.17 7.26 16.45 43.68 6.69 0.13 2.50 1.11 41 I C H 135.67 1.31 6.64 9.26 105.44 76.01 -87.92 31.58 50.99 7.37 41.64 30.25 9.23 12.56 36.60 4.51 0.13 4.70 2.02 42 Q C C 142.66 1.34 6.90 9.64 109.91 109.35 -91.74 112.72 73.60 4.00 22.40 58.65 1.93 11.76 21.64 2.12 0.00 2.62 1.28 43 R C C 176.22 1.99 9.24 12.94 110.65 -145.80 -88.91 123.76 99.84 0.11 0.05 99.72 0.09 0.08 0.04 0.00 0.00 0.06 0.01