# 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 127.69 3.65 9.38 14.84 112.57 -151.27 -85.38 130.14 99.94 0.04 0.02 99.86 0.08 0.03 0.01 0.00 0.00 0.02 0.01 1 D C C 116.93 1.59 8.75 11.71 112.62 -136.25 -89.45 128.89 96.47 0.99 2.54 93.93 0.67 2.70 0.97 0.76 0.00 0.44 0.52 2 R C C 170.86 2.34 7.10 11.45 114.14 -139.39 -90.50 132.17 92.89 2.24 4.87 66.23 15.71 10.73 1.29 3.60 0.00 1.13 1.31 3 S C C 80.17 2.52 7.96 12.31 114.46 -145.89 -93.41 134.08 94.70 2.04 3.27 70.69 14.99 8.69 0.73 2.76 0.00 1.13 1.01 4 R C C 171.90 2.15 8.95 12.69 110.42 -148.05 -89.17 118.79 94.02 3.42 2.55 67.89 21.64 3.90 0.90 1.61 0.00 1.27 2.79 5 N C C 86.94 4.30 7.71 13.91 109.96 -64.34 -98.37 109.10 98.64 0.86 0.50 85.65 12.00 0.87 0.21 0.27 0.00 0.30 0.71 6 P C T 99.65 2.86 8.63 13.45 94.59 -160.45 -66.70 -18.79 85.70 0.33 13.96 13.99 6.63 64.13 1.71 13.17 0.00 0.18 0.19 7 N C T 120.53 1.71 9.14 11.96 97.81 60.63 -86.84 0.87 85.68 0.43 13.89 8.67 9.18 67.06 1.87 12.71 0.00 0.24 0.26 8 K C C 143.25 2.40 8.84 12.84 107.74 89.12 -87.22 96.31 82.79 1.96 15.25 39.70 31.20 11.61 3.08 12.05 0.00 0.74 1.61 9 Q C C 119.00 2.73 8.47 13.00 116.35 100.19 -87.73 139.29 91.40 1.26 7.34 60.53 27.84 3.02 5.74 1.58 0.00 0.46 0.83 10 P C C 107.58 1.91 9.61 12.88 109.62 -105.08 -68.83 138.03 79.87 2.93 17.20 65.27 8.01 6.28 13.00 4.42 0.00 1.45 1.56 11 V C C 104.35 3.35 7.61 12.85 113.44 -133.88 -89.98 131.20 66.83 3.65 29.52 51.40 8.50 6.72 21.61 8.28 0.01 2.02 1.47 12 E C C 139.08 1.98 9.61 13.02 111.39 -134.93 -85.66 124.23 62.61 4.54 32.85 47.59 7.94 6.90 25.39 7.87 0.01 2.78 1.52 13 L C C 113.36 3.35 8.63 13.65 111.30 -152.86 -88.19 121.51 59.55 3.16 37.29 38.70 13.08 8.43 30.92 6.05 0.03 1.62 1.16 14 N C C 98.49 2.78 10.70 14.71 111.87 -137.35 -89.45 134.01 63.04 1.76 35.20 47.60 7.25 7.55 32.71 3.29 0.01 0.81 0.78 15 R H H 157.82 2.15 10.97 14.24 94.82 -121.48 -65.77 -34.49 14.80 0.22 84.98 7.44 3.33 4.75 82.68 1.61 0.01 0.09 0.09 16 T H H 82.82 2.11 12.30 15.05 93.36 52.95 -66.73 -39.73 7.29 0.14 92.57 2.87 1.26 3.38 91.04 1.32 0.01 0.07 0.05 17 S H H 58.88 2.76 12.66 16.37 93.15 50.97 -66.24 -39.66 3.87 0.08 96.05 1.77 0.57 1.72 94.62 1.25 0.01 0.04 0.03 18 L H H 93.88 2.42 13.03 16.13 92.88 50.69 -65.71 -40.69 2.35 0.05 97.61 0.97 0.30 1.09 96.75 0.83 0.00 0.02 0.02 19 Y H H 133.25 2.08 13.90 16.31 92.67 49.94 -65.69 -41.17 2.09 0.04 97.87 0.73 0.25 1.13 97.31 0.54 0.01 0.02 0.01 20 L H H 93.40 2.39 14.09 17.03 92.20 50.30 -64.99 -40.92 1.10 0.01 98.90 0.30 0.11 0.61 98.75 0.21 0.00 0.00 0.00 21 G H H 36.61 2.52 14.17 17.36 92.09 51.60 -63.75 -41.44 0.87 0.00 99.13 0.21 0.07 0.49 99.07 0.16 0.00 0.00 0.00 22 L H H 98.52 1.78 14.75 16.32 92.03 49.94 -65.20 -40.92 0.46 0.00 99.53 0.07 0.03 0.31 99.46 0.13 0.00 0.00 0.00 23 L H H 93.40 2.40 14.28 17.19 92.05 49.99 -65.24 -40.85 0.30 0.00 99.70 0.04 0.02 0.20 99.67 0.08 0.00 0.00 0.00 24 L H H 95.07 2.36 14.09 17.01 92.03 50.64 -65.13 -40.73 0.25 0.00 99.75 0.03 0.01 0.15 99.74 0.06 0.00 0.00 0.00 25 I H H 106.27 1.54 14.90 15.90 92.14 50.14 -65.06 -41.08 0.20 0.00 99.80 0.03 0.01 0.12 99.79 0.06 0.00 0.00 0.00 26 F H H 125.39 1.74 14.72 16.24 92.24 49.19 -65.71 -41.11 0.25 0.00 99.75 0.03 0.01 0.16 99.72 0.08 0.00 0.00 0.00 27 V H H 80.39 2.56 14.23 17.36 92.34 48.89 -65.54 -41.88 0.46 0.00 99.53 0.06 0.03 0.30 99.49 0.11 0.00 0.00 0.00 28 L H H 92.98 2.02 14.58 16.72 91.97 49.98 -64.49 -40.86 1.34 0.01 98.64 0.20 0.10 0.89 98.52 0.27 0.00 0.00 0.00 29 G H H 38.21 2.07 14.09 16.50 91.90 51.27 -64.11 -40.87 4.38 0.03 95.59 0.57 0.33 3.17 95.23 0.66 0.01 0.01 0.01 30 I H H 100.46 1.76 14.12 15.78 92.22 49.45 -65.38 -41.18 6.49 0.06 93.45 1.22 0.71 4.37 92.20 1.43 0.01 0.03 0.02 31 L H H 95.86 1.98 13.48 15.81 92.31 50.44 -65.04 -40.55 8.62 0.15 91.23 2.68 1.21 4.83 88.67 2.46 0.02 0.08 0.06 32 F H H 126.09 1.59 13.24 14.81 92.72 49.85 -66.00 -39.16 13.30 0.31 86.38 5.58 1.96 6.08 80.82 5.24 0.02 0.18 0.12 33 S H H 62.52 2.11 12.34 15.08 92.94 52.30 -66.63 -37.69 15.27 0.37 84.37 6.23 2.16 7.00 76.95 7.27 0.02 0.25 0.12 34 S H H 65.42 2.22 11.02 14.21 93.93 54.36 -68.22 -35.36 17.77 0.41 81.82 6.31 2.56 8.85 70.66 11.17 0.03 0.27 0.14 35 Y H H 155.35 1.63 10.16 12.54 94.90 54.56 -71.33 -33.03 23.49 0.81 75.69 7.81 3.47 12.21 63.29 12.31 0.08 0.56 0.28 36 F H H 158.11 1.16 9.05 10.77 97.24 54.54 -75.49 -26.22 36.15 1.73 62.12 12.76 5.33 18.72 52.71 8.54 0.16 1.09 0.69 37 F C H 162.11 1.18 7.84 9.86 101.33 51.24 -87.84 1.23 57.55 2.19 40.26 35.07 2.63 19.79 36.55 3.67 0.01 1.10 1.18 38 N C C 117.82 2.20 9.78 13.43 105.68 86.70 -88.00 72.10 99.90 0.06 0.04 99.77 0.08 0.08 0.03 0.00 0.00 0.03 0.01