# 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 127.07 3.42 11.02 16.02 116.94 -156.34 -94.41 141.03 99.93 0.05 0.02 99.84 0.08 0.04 0.01 0.00 0.00 0.02 0.01 1 A C C 75.45 4.11 8.69 14.63 112.38 -109.90 -76.07 142.91 89.43 1.75 8.81 85.31 0.94 4.27 6.45 1.38 0.00 0.92 0.75 2 Q C C 134.15 2.31 9.24 13.21 109.59 -124.93 -84.25 124.01 83.38 3.75 12.87 65.49 11.03 6.22 10.97 2.70 0.00 2.11 1.48 3 R C C 155.97 3.41 9.70 15.04 115.60 -139.79 -95.46 133.93 78.24 6.69 15.06 64.95 8.84 3.71 13.78 2.50 0.01 3.84 2.37 4 T C C 61.82 6.32 9.82 17.92 119.16 -150.58 -94.72 154.67 76.95 4.63 18.42 67.09 5.85 3.02 18.29 1.73 0.00 2.68 1.33 5 W H H 170.24 2.43 13.67 16.80 93.92 -119.45 -63.38 -36.31 25.64 2.08 72.28 17.43 5.88 4.58 68.29 2.01 0.03 1.15 0.63 6 L H H 75.20 6.39 13.23 20.94 92.52 52.80 -65.69 -39.90 9.85 0.27 89.88 3.82 1.67 5.04 85.62 3.55 0.05 0.16 0.10 7 G H H 20.04 9.13 12.27 23.23 92.29 52.41 -63.66 -40.43 6.97 0.16 92.86 2.20 1.04 4.07 87.90 4.57 0.05 0.10 0.06 8 D H H 91.91 2.57 16.11 18.97 92.98 51.11 -66.99 -37.23 6.59 0.14 93.27 1.57 0.95 4.08 86.85 6.32 0.08 0.08 0.06 9 R H H 131.96 3.34 15.99 19.76 93.34 50.13 -69.88 -35.36 14.08 0.13 85.79 1.24 1.31 11.45 80.58 5.16 0.13 0.06 0.07 10 L H H 57.39 11.24 12.85 24.88 95.18 48.65 -80.20 -23.86 23.29 0.14 76.57 2.21 2.49 19.03 72.96 3.06 0.10 0.05 0.10 11 R H H 119.90 7.06 14.65 23.15 93.14 73.51 -60.38 -42.84 15.32 0.15 84.53 4.66 2.16 8.49 72.86 11.66 0.02 0.08 0.07 12 P H H 78.24 2.05 17.63 18.97 92.11 50.28 -65.05 -37.92 13.71 0.20 86.09 3.99 1.53 7.87 73.19 13.18 0.03 0.14 0.07 13 L H H 62.98 6.32 14.95 22.80 92.58 50.88 -66.38 -39.60 7.68 0.18 92.14 2.46 1.16 4.11 78.00 14.06 0.03 0.13 0.05 14 N H H 43.86 10.46 11.85 23.77 92.51 52.26 -64.62 -38.89 8.49 0.25 91.26 3.31 1.33 4.28 80.07 10.73 0.04 0.16 0.08 15 S H H 70.75 2.40 14.41 17.38 92.74 52.95 -65.99 -37.50 12.60 0.21 87.20 2.23 1.34 8.41 73.31 14.42 0.07 0.13 0.07 16 E H H 137.60 1.56 14.01 15.56 92.99 52.80 -69.21 -31.72 18.81 0.37 80.82 2.44 2.06 13.75 68.86 12.32 0.18 0.22 0.17 17 Y H H 120.06 5.68 10.70 17.99 97.49 42.87 -93.94 -1.42 48.34 0.93 50.73 4.26 6.10 37.16 41.35 9.68 0.37 0.44 0.65 18 G C T 56.24 2.18 13.71 16.73 97.45 -116.96 72.10 13.92 88.78 0.62 10.60 9.51 11.46 68.12 5.37 4.82 0.00 0.33 0.37 19 K C C 129.93 4.11 13.55 19.11 107.10 103.61 -99.36 20.21 87.21 4.24 8.54 34.75 22.73 30.40 2.64 5.60 0.01 2.38 1.49 20 V C C 64.64 10.63 9.74 21.28 118.47 106.83 -103.04 134.95 78.59 17.23 4.18 49.19 24.50 4.38 2.24 1.97 0.03 6.48 11.21 21 A C C 57.72 5.02 12.91 19.55 118.11 -129.05 -89.14 145.30 92.85 5.85 1.31 74.09 16.05 2.63 0.46 0.90 0.00 3.64 2.23 22 P C T 107.60 2.46 13.07 16.82 111.35 -97.10 -63.75 141.14 92.98 2.48 4.54 24.32 19.62 49.18 0.73 3.81 0.00 1.49 0.85 23 G C T 58.08 1.90 13.37 15.90 99.61 19.56 83.58 -1.81 92.48 2.29 5.23 30.66 16.14 45.85 0.90 4.26 0.00 1.24 0.94 24 W C C 135.38 6.79 9.64 17.87 105.44 114.23 -84.48 41.00 85.06 4.86 10.08 44.16 17.52 23.39 2.23 7.77 0.01 2.22 2.69 25 G C C 43.25 4.91 13.51 19.56 108.99 49.81 38.27 -48.42 86.93 4.63 8.45 35.14 24.66 27.93 2.14 5.74 0.01 2.17 2.20 26 T C C 85.01 4.61 13.05 18.98 103.57 25.48 -91.26 15.08 82.59 4.14 13.27 44.46 23.74 14.84 6.22 6.39 0.01 1.69 2.65 27 T C H 65.83 5.62 11.85 19.17 110.48 87.28 -80.16 146.03 52.92 1.02 46.06 26.89 22.09 4.17 44.77 1.28 0.01 0.27 0.51 28 P H H 95.35 2.02 14.09 16.37 93.66 -2.86 -62.27 -37.81 12.47 0.20 87.33 4.47 2.42 6.25 84.90 1.76 0.03 0.08 0.09 29 L H H 99.72 2.25 14.44 17.01 92.80 50.73 -66.09 -40.26 6.18 0.20 93.62 2.33 0.87 3.17 91.93 1.52 0.02 0.10 0.06 30 M H H 75.79 5.66 13.01 20.45 92.34 50.90 -65.17 -40.31 2.51 0.08 97.40 1.13 0.33 1.11 96.34 1.02 0.00 0.05 0.02 31 G H H 32.83 3.89 14.14 19.48 91.95 51.84 -63.48 -41.34 2.07 0.06 97.88 0.86 0.25 0.94 97.40 0.51 0.00 0.03 0.01 32 V H H 88.50 1.79 16.11 17.28 92.20 49.48 -64.85 -41.47 1.31 0.05 98.64 0.48 0.13 0.65 98.41 0.29 0.00 0.03 0.01 33 F H H 108.09 3.11 15.46 19.23 92.31 49.77 -64.96 -41.27 0.61 0.01 99.38 0.21 0.05 0.29 99.30 0.13 0.00 0.01 0.00 34 M H H 89.02 4.18 14.82 20.24 91.98 50.25 -64.63 -40.94 0.27 0.00 99.73 0.06 0.02 0.14 99.72 0.06 0.00 0.00 0.00 35 G H H 37.26 2.49 15.42 18.28 91.71 50.89 -63.43 -41.10 0.20 0.00 99.79 0.03 0.01 0.12 99.78 0.06 0.00 0.00 0.00 36 L H H 95.30 1.95 15.71 17.37 91.91 50.21 -64.64 -41.07 0.23 0.00 99.77 0.02 0.01 0.16 99.72 0.08 0.00 0.00 0.00 37 F H H 109.56 3.01 15.01 18.73 92.02 49.91 -64.48 -41.29 0.45 0.00 99.55 0.03 0.01 0.38 99.49 0.09 0.00 0.00 0.00 38 F H H 111.58 2.82 14.85 18.25 92.04 50.49 -64.29 -41.31 0.32 0.00 99.67 0.03 0.01 0.22 99.68 0.05 0.00 0.00 0.00 39 V H H 84.66 1.95 15.49 17.19 91.78 50.18 -63.85 -42.03 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 40 F H H 116.32 2.12 15.26 17.44 91.88 49.96 -63.97 -41.51 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 41 L H H 87.27 2.97 14.77 18.42 91.87 50.13 -64.72 -40.96 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 42 L H H 88.84 2.62 15.02 18.07 91.97 50.49 -64.48 -41.08 0.07 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 43 I H H 92.19 2.23 15.29 17.60 91.95 49.91 -64.54 -42.02 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 44 I H H 90.51 2.49 15.08 17.92 91.92 49.48 -64.30 -41.59 0.21 0.00 99.79 0.02 0.01 0.14 99.79 0.05 0.00 0.00 0.00 45 L H H 84.06 3.07 14.27 18.19 91.94 50.39 -64.28 -41.12 0.38 0.00 99.62 0.04 0.02 0.26 99.53 0.16 0.00 0.00 0.00 46 Q H H 98.14 2.67 14.24 17.64 92.22 50.44 -64.95 -40.04 1.24 0.01 98.76 0.12 0.07 0.95 98.43 0.44 0.00 0.00 0.00 47 I H H 101.00 1.98 14.33 16.40 92.51 48.99 -66.34 -40.52 3.27 0.02 96.72 0.32 0.22 2.54 96.18 0.72 0.01 0.01 0.00 48 Y H H 139.93 2.13 13.81 16.16 93.38 48.47 -69.39 -37.10 9.92 0.09 89.99 1.48 1.16 7.22 88.96 1.07 0.03 0.04 0.04 49 N H H 86.04 3.98 12.24 17.62 95.97 50.06 -78.75 -17.03 35.74 0.55 63.70 10.26 5.03 21.20 60.61 2.32 0.05 0.22 0.31 50 S H H 63.21 3.42 12.50 17.20 95.25 71.90 -69.80 -29.37 46.65 0.96 52.40 16.50 9.25 22.34 44.71 6.21 0.07 0.44 0.49 51 S H H 61.39 3.15 12.30 16.65 95.71 59.94 -71.45 -33.71 41.14 1.71 57.15 17.23 8.11 17.13 44.42 11.33 0.13 0.93 0.72 52 L H H 95.92 3.28 10.51 15.33 94.62 60.64 -69.66 -32.88 30.35 3.60 66.05 12.45 6.30 12.18 45.38 20.08 0.24 2.42 0.95 53 I H H 115.49 2.30 10.60 14.08 94.64 56.44 -71.46 -33.02 29.46 5.95 64.59 10.76 5.92 13.19 43.70 20.31 0.53 4.28 1.32 54 L H H 125.06 1.61 9.76 12.20 98.21 54.82 -80.76 -16.03 36.75 5.77 57.48 12.91 7.86 16.64 37.77 18.58 0.72 3.72 1.81 55 E C T 129.83 2.43 9.31 13.20 103.16 71.60 -83.04 17.10 66.53 2.64 30.83 15.44 13.78 36.92 21.11 9.83 0.17 1.45 1.30 56 N C T 138.22 0.93 10.92 12.08 99.77 -110.71 1.38 40.88 90.03 2.31 7.66 30.10 13.23 47.67 3.64 3.25 0.00 1.50 0.61 57 V C C 84.89 5.43 7.11 14.46 118.27 156.43 -100.18 133.76 88.33 9.31 2.36 76.30 8.99 2.74 1.29 1.08 0.00 7.03 2.57 58 S C C 92.13 1.17 12.35 13.93 114.43 -145.54 -96.63 127.73 84.87 13.38 1.75 78.28 3.95 2.21 0.86 0.77 0.00 10.97 2.97 59 V C C 82.31 8.55 7.43 17.08 119.52 -168.75 -113.95 132.26 84.83 12.97 2.20 76.21 6.45 1.84 1.33 0.90 0.00 9.79 3.47 60 D C C 98.96 2.16 12.49 15.51 111.94 -158.72 -99.03 116.81 91.44 5.59 2.98 84.90 4.72 1.99 1.93 0.91 0.00 3.81 1.73 61 W H H 151.12 5.95 9.00 16.69 96.17 -167.05 -70.54 -22.02 46.74 1.74 51.52 22.23 7.34 17.10 26.04 25.55 0.03 1.00 0.71 62 A H G 77.39 1.87 10.88 13.70 95.06 70.33 -69.40 -28.51 41.21 1.13 57.66 12.52 6.87 20.81 27.78 30.83 0.06 0.64 0.50 63 N H G 101.27 2.50 9.79 13.65 97.56 59.73 -79.44 -13.73 35.98 1.42 62.59 14.27 6.77 14.69 27.18 35.72 0.04 0.77 0.56 64 L H H 107.73 3.80 7.46 12.95 98.75 70.95 -78.75 -13.21 47.99 1.86 50.14 17.55 9.59 20.78 25.32 24.78 0.09 0.95 0.95 65 T C C 105.11 1.80 7.92 11.20 106.05 70.99 -88.27 49.22 69.96 1.55 28.49 45.34 2.80 24.20 16.01 9.91 0.00 0.87 0.85 66 R C C 169.42 2.19 9.89 13.68 108.64 113.33 -86.21 106.86 99.90 0.04 0.05 99.72 0.13 0.09 0.03 0.00 0.00 0.02 0.01