# 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 A C C 64.34 6.82 11.84 19.72 109.62 111.61 -87.81 124.92 99.88 0.09 0.03 99.65 0.21 0.07 0.01 0.00 0.00 0.03 0.02 1 G C C 39.06 4.48 10.93 16.85 120.35 48.63 -93.74 174.05 92.56 0.50 6.95 86.78 3.13 3.34 4.60 1.58 0.00 0.20 0.38 2 P C T 107.50 1.87 10.21 12.90 98.04 -43.72 -68.95 -28.27 62.00 0.76 37.24 22.15 10.06 30.47 17.17 19.27 0.01 0.37 0.49 3 E C T 135.23 2.08 9.59 12.78 99.76 55.21 -78.54 -13.95 56.50 0.89 42.61 20.17 8.86 27.45 22.52 19.97 0.03 0.42 0.58 4 A H H 65.28 3.66 9.12 14.45 100.51 77.56 -71.96 -27.80 42.96 0.86 56.17 18.15 9.93 15.11 31.27 24.64 0.03 0.40 0.47 5 D H H 99.63 3.20 9.95 14.56 97.32 57.06 -74.88 -14.92 42.74 0.72 56.54 18.37 7.36 16.70 32.60 24.20 0.03 0.35 0.39 6 A H H 74.38 2.97 9.39 13.97 97.07 74.39 -75.34 -18.28 40.63 0.75 58.62 17.78 7.33 14.93 30.72 28.46 0.02 0.37 0.39 7 Q C G 135.64 1.68 10.90 13.43 98.24 64.76 -84.13 -3.33 49.92 1.10 48.98 22.79 9.80 17.16 23.90 25.19 0.04 0.51 0.63 8 F C C 126.42 4.92 9.16 15.84 113.12 79.71 -97.18 121.01 66.37 1.73 31.91 41.88 11.73 12.48 15.38 16.75 0.01 0.84 0.94 9 H C C 133.63 3.09 11.16 16.02 116.32 -163.45 -105.35 126.20 80.20 3.20 16.60 59.27 10.06 10.55 9.88 6.83 0.00 1.70 1.71 10 F C C 121.20 6.41 8.97 16.96 108.87 -152.65 -93.62 103.03 86.59 3.70 9.71 75.26 6.34 4.93 6.59 3.06 0.00 1.75 2.07 11 T C C 90.37 2.93 11.92 16.22 109.51 153.82 -101.53 74.34 71.22 3.13 25.66 36.75 12.38 22.12 21.72 4.05 0.04 1.48 1.46 12 G C H 40.64 3.64 13.07 17.82 99.12 33.36 57.50 -28.31 58.81 1.62 39.57 15.76 16.32 27.86 32.96 5.44 0.13 0.73 0.81 13 I H H 86.50 6.43 10.13 18.05 93.53 74.30 -66.47 -35.72 10.21 0.26 89.53 3.49 1.70 4.81 68.07 21.68 0.02 0.16 0.07 14 K H H 132.72 3.39 12.40 17.21 92.59 59.07 -66.19 -32.51 5.15 0.15 94.70 1.09 0.63 3.01 68.51 26.60 0.01 0.12 0.02 15 K H H 140.66 1.75 13.74 15.68 93.87 54.42 -72.71 -29.56 6.40 0.15 93.45 1.00 0.75 4.01 67.06 27.01 0.03 0.11 0.03 16 Y H H 128.69 4.38 12.26 17.96 101.10 38.99 -95.99 -19.07 18.91 0.63 80.46 3.97 3.37 11.61 62.81 17.41 0.20 0.36 0.28 17 F C C 93.12 8.61 9.85 19.54 108.90 71.88 -91.25 93.58 60.96 4.48 34.56 30.72 16.94 15.29 27.57 4.72 0.21 1.61 2.93 18 N C C 93.20 3.69 12.70 17.57 110.36 54.46 -92.22 112.33 70.82 2.57 26.61 39.17 11.05 20.84 16.41 9.89 0.04 1.21 1.40 19 S C T 75.67 4.20 11.03 16.73 97.32 -117.41 -79.35 -11.39 70.68 1.25 28.07 16.01 19.15 36.19 14.94 12.26 0.06 0.55 0.85 20 Y C T 170.15 1.88 12.48 14.88 100.80 60.28 -91.73 -7.01 72.58 2.14 25.28 22.28 21.84 29.67 13.95 9.98 0.06 0.90 1.33 21 T C S 63.59 4.13 11.21 17.04 121.10 70.41 -98.16 158.31 69.37 3.13 27.50 26.12 37.41 6.32 25.27 2.14 0.04 0.86 1.85 22 L H H 116.61 2.67 12.63 16.50 93.61 -116.03 -62.43 -35.97 20.93 0.39 78.68 5.89 5.78 10.61 74.56 2.72 0.08 0.16 0.20 23 T H H 86.02 1.87 15.11 16.86 92.78 52.49 -65.86 -40.13 16.66 0.30 83.04 4.20 3.05 10.04 79.72 2.64 0.07 0.13 0.15 24 G H H 24.60 5.33 13.13 20.61 92.03 51.35 -63.86 -41.38 14.54 0.27 85.18 5.99 2.40 6.64 82.25 2.45 0.02 0.13 0.13 25 R H H 114.58 5.18 14.93 21.21 92.14 50.77 -64.84 -40.47 5.15 0.07 94.77 2.36 0.80 2.12 93.69 0.96 0.01 0.03 0.03 26 M H H 99.24 3.14 16.86 20.42 92.06 50.68 -64.99 -41.14 1.60 0.02 98.37 0.56 0.20 0.76 98.06 0.40 0.00 0.01 0.00 27 N H H 86.09 2.79 17.58 20.42 92.22 49.89 -65.51 -40.67 1.31 0.01 98.68 0.40 0.14 0.67 98.45 0.33 0.00 0.01 0.00 28 C H H 59.71 4.99 16.38 22.31 92.16 49.82 -65.07 -41.83 0.80 0.01 99.19 0.21 0.08 0.41 99.11 0.18 0.00 0.00 0.00 29 V H H 68.72 4.60 16.55 21.98 91.88 49.68 -63.98 -42.59 0.51 0.00 99.49 0.11 0.04 0.27 99.48 0.09 0.00 0.00 0.00 30 L H H 94.80 2.50 17.70 20.10 91.79 49.44 -64.25 -41.62 0.45 0.00 99.55 0.08 0.03 0.26 99.54 0.08 0.00 0.00 0.00 31 A H H 57.49 2.71 16.78 19.62 91.70 49.88 -64.20 -41.47 0.80 0.00 99.20 0.11 0.05 0.52 99.18 0.14 0.00 0.00 0.00 32 T H H 67.20 3.89 16.64 20.98 92.08 49.12 -65.41 -41.92 1.78 0.00 98.22 0.17 0.11 1.33 98.21 0.18 0.00 0.00 0.00 33 Y H H 125.10 3.05 16.96 20.28 92.11 49.28 -64.76 -41.28 1.99 0.00 98.00 0.28 0.16 1.31 98.11 0.14 0.00 0.00 0.00 34 G H H 35.76 2.84 16.05 19.42 91.77 50.83 -64.37 -41.32 1.13 0.00 98.87 0.22 0.09 0.63 98.98 0.08 0.00 0.00 0.00 35 S H H 58.45 2.73 16.06 19.00 92.28 50.75 -64.77 -41.50 0.45 0.00 99.55 0.08 0.03 0.25 99.59 0.05 0.00 0.00 0.00 36 I H H 95.35 2.37 16.30 18.52 92.08 49.77 -64.33 -41.98 0.15 0.00 99.85 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 37 A H H 58.00 2.35 15.32 17.95 91.51 50.37 -63.89 -41.44 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 38 L H H 93.33 2.07 15.25 17.31 91.70 50.28 -64.16 -41.06 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 39 I H H 95.50 2.04 15.21 17.08 91.62 50.14 -64.30 -41.90 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 40 V H H 82.36 1.92 14.64 16.51 91.64 49.59 -63.98 -42.09 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 41 L H H 91.05 1.97 14.10 16.28 91.73 50.06 -63.90 -41.44 0.14 0.00 99.86 0.01 0.00 0.10 99.83 0.05 0.00 0.00 0.00 42 Y H H 130.83 1.89 13.44 15.50 91.75 50.06 -64.45 -41.26 0.32 0.00 99.68 0.02 0.01 0.26 99.51 0.20 0.00 0.00 0.00 43 F H H 124.03 1.65 13.07 14.74 92.26 49.45 -65.80 -39.87 1.26 0.00 98.74 0.06 0.05 1.11 98.20 0.57 0.00 0.00 0.00 44 K H H 124.31 1.71 12.38 14.37 92.78 49.57 -67.67 -36.54 6.37 0.01 93.63 0.29 0.34 5.66 92.78 0.91 0.01 0.00 0.00 45 L H H 103.57 2.03 10.98 13.78 94.10 51.15 -71.19 -31.47 20.09 0.11 79.80 2.41 2.72 15.32 77.63 1.76 0.05 0.04 0.07 46 R H H 155.36 1.84 10.29 13.08 96.17 57.82 -73.21 -28.92 44.60 1.41 54.00 17.65 13.12 16.70 46.69 4.37 0.12 0.51 0.83 47 S C C 79.53 2.09 9.76 12.94 98.93 56.82 -80.40 -7.83 62.89 1.49 35.62 37.26 7.78 18.15 29.44 5.87 0.01 0.72 0.77 48 K C C 154.05 1.64 8.87 11.72 103.84 87.40 -83.39 32.98 75.75 1.52 22.73 44.38 14.06 17.14 17.92 4.93 0.01 0.65 0.92 49 K C C 151.78 1.89 8.21 11.66 110.29 114.56 -89.48 117.05 88.03 1.38 10.60 55.88 23.87 7.96 8.23 2.56 0.00 0.54 0.95 50 T C C 101.73 2.00 8.62 12.35 116.22 -141.76 -93.63 137.33 93.54 0.84 5.62 69.95 21.05 2.36 4.61 1.19 0.00 0.35 0.50 51 P C C 102.58 2.31 8.62 12.71 113.62 -105.65 -67.51 147.47 80.76 1.39 17.85 67.48 6.28 7.41 11.42 6.00 0.00 0.77 0.63 52 A C C 88.84 1.81 7.41 10.90 111.02 -109.67 -75.20 137.14 74.73 4.26 21.01 53.04 12.36 9.37 12.66 8.32 0.00 2.70 1.54 53 V C C 118.99 1.80 6.51 10.06 114.42 -136.08 -93.51 130.39 71.38 8.92 19.70 52.13 11.63 7.37 12.73 7.23 0.01 6.41 2.50 54 K C C 165.18 1.05 7.71 9.96 114.82 -142.71 -95.35 130.94 75.47 9.02 15.51 58.05 9.75 7.05 10.99 5.00 0.01 6.89 2.26 55 A C C 88.04 2.21 6.24 10.39 112.52 -133.92 -85.14 133.58 88.56 3.68 7.77 79.87 2.29 7.17 4.88 2.08 0.00 2.58 1.15 56 T C C 110.54 1.65 9.28 12.23 111.22 -159.37 -96.60 111.04 99.86 0.10 0.05 99.68 0.14 0.10 0.02 0.00 0.00 0.05 0.01