# 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 116.51 6.00 11.37 18.74 111.86 -163.75 -92.84 120.00 99.89 0.09 0.02 99.75 0.11 0.08 0.01 0.00 0.00 0.04 0.02 1 G C C 52.70 3.68 9.87 15.18 110.79 -159.66 -89.75 133.23 94.50 1.81 3.69 83.32 2.05 9.70 1.01 2.02 0.00 0.93 0.98 2 G C C 55.50 2.49 9.51 13.60 110.12 31.41 25.78 139.69 89.95 2.46 7.59 45.14 21.64 23.15 1.59 5.99 0.00 1.08 1.40 3 G C C 56.76 2.19 9.64 13.21 108.15 -21.04 -55.62 50.70 83.08 1.39 15.53 35.14 24.73 23.30 3.27 12.03 0.00 0.58 0.94 4 M C C 129.61 3.17 8.60 13.40 105.99 69.23 -85.76 42.23 75.64 1.35 23.00 36.33 20.30 19.26 6.13 16.44 0.00 0.56 0.98 5 E C C 135.27 2.68 9.49 13.77 105.39 90.96 -83.17 54.52 71.83 1.67 26.50 43.63 14.02 13.83 8.04 18.67 0.00 0.76 1.06 6 T C C 98.68 3.04 9.19 13.85 104.52 78.03 -83.99 4.01 70.75 2.08 27.17 40.70 15.32 14.80 8.64 18.30 0.01 0.94 1.29 7 N C C 103.17 3.88 10.58 16.09 106.83 71.70 -93.61 84.92 77.39 2.03 20.58 50.93 13.81 12.57 7.12 13.43 0.00 0.97 1.17 8 K C C 132.61 4.22 10.91 16.88 108.60 116.72 -86.34 92.61 84.85 1.89 13.25 54.22 22.42 8.38 6.54 6.28 0.00 0.69 1.46 9 N C C 72.29 6.47 9.67 17.89 110.07 122.66 -90.65 111.08 97.04 0.55 2.41 85.21 10.84 0.78 2.23 0.31 0.00 0.14 0.49 10 K H H 140.36 2.03 13.16 16.04 94.06 -154.80 -63.78 -33.86 3.55 0.01 96.44 0.58 0.48 2.23 96.21 0.49 0.00 0.00 0.00 11 F H H 119.09 2.80 13.43 17.09 92.67 53.63 -65.63 -40.31 2.01 0.00 97.98 0.25 0.19 1.47 97.64 0.45 0.00 0.00 0.00 12 I H H 69.31 5.96 12.57 20.34 92.68 48.98 -66.06 -41.43 0.53 0.00 99.47 0.12 0.05 0.30 99.23 0.29 0.00 0.00 0.00 13 E H H 93.01 3.76 14.50 19.45 92.00 50.65 -64.08 -41.59 0.22 0.00 99.78 0.06 0.02 0.10 99.70 0.11 0.00 0.00 0.00 14 D H H 88.16 1.95 16.53 18.05 92.27 49.64 -64.74 -41.22 0.27 0.00 99.73 0.05 0.02 0.15 99.71 0.07 0.00 0.00 0.00 15 W H H 120.01 4.29 15.57 20.88 92.30 49.48 -64.97 -41.29 0.25 0.00 99.75 0.04 0.01 0.15 99.73 0.06 0.00 0.00 0.00 16 G H H 27.05 5.58 14.70 22.13 91.99 51.37 -63.75 -41.57 0.46 0.00 99.54 0.06 0.02 0.30 99.53 0.08 0.00 0.00 0.00 17 S H H 59.68 2.55 16.99 19.51 92.13 50.47 -64.43 -40.44 0.99 0.00 99.01 0.11 0.06 0.70 98.97 0.17 0.00 0.00 0.00 18 A H H 55.10 3.51 16.02 20.28 92.18 50.58 -64.96 -40.59 1.39 0.00 98.61 0.20 0.10 0.90 98.49 0.30 0.00 0.00 0.00 19 R H H 115.71 5.28 15.29 21.66 92.60 49.93 -66.09 -39.30 2.37 0.00 97.62 0.37 0.20 1.58 97.24 0.60 0.00 0.00 0.00 20 E H H 98.28 3.46 15.70 19.93 92.72 51.49 -65.43 -38.77 4.96 0.01 95.03 0.66 0.42 3.46 94.56 0.87 0.00 0.00 0.00 21 N H H 87.29 2.35 15.59 18.02 93.22 49.40 -68.03 -37.64 11.19 0.03 88.78 1.92 1.02 7.74 87.73 1.57 0.01 0.01 0.02 22 L H H 71.21 5.77 12.94 20.35 92.87 52.41 -66.89 -38.57 6.28 0.03 93.69 1.10 0.65 4.14 87.89 6.18 0.01 0.01 0.01 23 E H H 96.99 6.12 12.55 20.16 93.06 53.73 -66.93 -36.42 5.74 0.04 94.23 0.79 0.51 4.02 84.98 9.66 0.01 0.02 0.01 24 H H H 137.23 1.89 14.42 16.53 94.50 50.53 -74.37 -27.87 11.81 0.03 88.16 0.73 0.81 9.73 79.84 8.83 0.03 0.02 0.02 25 N H H 109.55 2.08 13.32 15.69 99.97 39.60 -100.09 -10.71 25.03 0.12 74.84 1.82 2.86 20.50 69.67 4.92 0.08 0.05 0.09 26 F C C 97.91 8.16 9.08 18.61 115.03 72.11 -106.84 121.87 77.92 8.44 13.64 50.44 18.90 7.91 11.38 2.31 0.06 2.94 6.06 27 R C C 150.48 2.67 14.39 18.36 118.36 -163.82 -107.00 132.66 91.51 6.79 1.70 84.44 5.14 1.94 1.18 0.52 0.00 3.82 2.97 28 W C C 126.81 9.83 9.48 20.40 110.41 -123.50 -79.30 125.37 92.76 6.46 0.78 88.31 4.04 0.66 0.49 0.25 0.00 2.60 3.64 29 T C C 62.76 3.18 13.81 18.14 128.19 171.17 -116.86 171.97 98.01 1.62 0.37 90.60 7.06 0.23 0.33 0.06 0.00 0.41 1.31 30 R H H 178.02 1.38 12.46 14.33 91.42 -94.22 -59.74 -36.80 6.08 0.00 93.91 0.21 0.63 5.31 93.15 0.68 0.01 0.00 0.00 31 R H H 157.69 1.29 14.02 14.91 92.09 52.49 -65.19 -39.54 6.46 0.00 93.54 0.18 0.35 5.96 92.58 0.92 0.01 0.00 0.00 32 N H H 45.07 8.86 11.08 21.65 92.58 49.00 -67.81 -39.23 3.97 0.01 96.02 0.33 0.25 3.18 95.15 1.07 0.00 0.00 0.00 33 F H H 100.44 5.42 13.96 20.73 91.57 52.23 -63.27 -41.58 0.50 0.00 99.50 0.09 0.04 0.27 99.37 0.23 0.00 0.00 0.00 34 A H H 63.03 1.73 16.58 17.58 91.58 50.27 -64.03 -41.61 0.57 0.00 99.42 0.06 0.03 0.38 99.31 0.21 0.00 0.00 0.00 35 L H H 81.57 3.61 15.96 20.35 92.31 49.08 -65.36 -41.70 0.93 0.00 99.06 0.07 0.05 0.73 98.91 0.24 0.00 0.00 0.00 36 I H H 64.05 7.43 13.96 22.81 92.25 49.57 -64.41 -41.83 2.08 0.01 97.90 0.15 0.14 1.75 97.56 0.38 0.01 0.00 0.00 37 G H H 36.64 3.48 15.70 19.80 92.17 49.65 -64.12 -41.90 3.96 0.01 96.02 0.21 0.26 3.49 95.26 0.74 0.03 0.00 0.01 38 I H H 105.93 1.70 16.42 17.38 93.14 45.71 -67.09 -41.22 5.31 0.03 94.66 0.22 0.39 4.89 93.16 1.19 0.12 0.01 0.02 39 F H H 120.89 2.65 15.80 18.60 94.96 41.36 -74.18 -39.31 8.56 0.04 91.40 0.23 0.55 8.21 89.15 1.63 0.20 0.01 0.03 40 G H H 33.69 5.17 14.38 20.55 96.24 41.43 -74.08 -40.60 31.33 0.06 68.61 0.34 1.38 30.86 65.32 1.82 0.18 0.02 0.06 41 I C T 92.12 3.87 15.50 19.84 96.63 39.42 -77.29 -39.47 70.79 0.09 29.13 0.46 3.02 65.85 29.35 1.15 0.06 0.02 0.09 42 A H H 58.38 2.44 16.19 18.67 92.88 48.34 -65.39 -42.08 10.29 0.04 89.67 0.88 1.62 7.75 88.87 0.79 0.04 0.01 0.04 43 L H H 85.98 2.53 16.54 19.11 92.14 49.25 -65.06 -42.16 1.83 0.00 98.17 0.29 0.18 1.14 97.94 0.45 0.00 0.00 0.00 44 P H H 55.19 5.63 14.65 21.71 91.83 49.39 -64.54 -40.77 0.91 0.00 99.08 0.19 0.06 0.54 98.69 0.52 0.00 0.00 0.00 45 I H H 86.93 3.90 15.75 20.34 91.94 50.18 -64.18 -41.26 0.21 0.00 99.79 0.02 0.01 0.13 99.61 0.22 0.00 0.00 0.00 46 I H H 101.53 1.59 17.13 17.65 91.87 49.83 -64.42 -41.69 0.18 0.00 99.82 0.02 0.01 0.12 99.75 0.10 0.00 0.00 0.00 47 V H H 82.58 2.52 16.45 18.96 91.97 48.69 -64.71 -42.01 0.22 0.00 99.78 0.02 0.01 0.16 99.74 0.08 0.00 0.00 0.00 48 Y H H 105.53 5.74 14.83 21.49 92.20 49.20 -64.99 -41.10 0.42 0.00 99.58 0.04 0.02 0.31 99.52 0.11 0.00 0.00 0.00 49 K H H 109.36 3.06 16.01 19.59 91.77 50.41 -64.54 -40.81 0.60 0.00 99.39 0.05 0.03 0.47 99.34 0.10 0.00 0.00 0.00 50 G H H 38.51 1.81 16.91 17.95 91.82 50.49 -64.11 -41.73 1.09 0.00 98.91 0.12 0.08 0.80 98.84 0.15 0.00 0.00 0.00 51 I H H 82.77 3.30 16.16 19.85 92.23 49.31 -64.66 -42.08 1.38 0.01 98.60 0.24 0.13 0.95 98.49 0.18 0.00 0.00 0.00 52 V H H 62.18 5.88 14.69 21.91 91.86 49.72 -64.28 -42.11 1.04 0.02 98.94 0.28 0.12 0.60 98.82 0.16 0.00 0.01 0.00 53 K H H 115.46 2.12 17.23 19.00 91.85 50.04 -64.26 -41.43 0.84 0.00 99.15 0.19 0.08 0.51 99.03 0.18 0.00 0.00 0.00 54 D H H 81.01 1.87 17.52 18.51 91.95 49.49 -64.59 -41.15 0.91 0.00 99.09 0.17 0.07 0.58 98.96 0.21 0.00 0.00 0.00 55 F H H 88.91 5.50 15.46 22.20 92.13 49.80 -64.73 -41.27 0.91 0.00 99.09 0.14 0.07 0.61 98.95 0.24 0.00 0.00 0.00 56 H H H 89.49 5.72 15.02 22.02 91.87 50.58 -64.26 -41.02 1.34 0.00 98.66 0.15 0.09 0.94 98.55 0.26 0.00 0.00 0.00 57 M H H 102.20 1.66 17.07 17.68 91.86 49.74 -64.33 -41.52 2.06 0.00 97.94 0.24 0.17 1.43 97.84 0.31 0.00 0.00 0.00 58 Q H H 92.18 2.19 15.81 17.89 92.12 49.41 -64.87 -41.51 2.62 0.01 97.37 0.39 0.31 1.72 97.14 0.44 0.00 0.00 0.00 59 D H H 43.02 6.80 10.90 19.94 92.26 50.28 -65.23 -41.03 3.54 0.02 96.44 0.83 0.41 2.11 95.86 0.78 0.00 0.01 0.01 60 E H H 121.23 2.22 12.54 15.60 92.31 50.27 -64.81 -40.33 3.41 0.01 96.58 0.46 0.29 2.42 95.40 1.42 0.00 0.00 0.00 61 D H H 121.47 0.69 12.65 12.25 92.33 50.28 -68.28 -32.19 9.10 0.02 90.88 0.55 0.67 7.70 89.62 1.42 0.02 0.01 0.01 62 A C T 73.99 2.26 10.17 13.55 94.16 49.30 -86.77 -5.85 59.91 0.05 40.03 0.99 2.96 54.80 39.27 1.90 0.01 0.02 0.05 63 G C T 63.79 0.66 12.44 12.25 96.21 -112.16 77.23 13.43 99.50 0.03 0.47 5.69 5.42 88.53 0.19 0.15 0.00 0.01 0.01 64 R C C 118.17 5.29 7.79 15.15 120.57 131.73 -100.50 141.56 99.49 0.36 0.15 80.26 18.90 0.33 0.05 0.07 0.00 0.11 0.26 65 P C C 95.24 1.96 12.71 15.23 114.62 -105.11 -65.58 150.59 98.34 0.33 1.32 92.25 4.36 1.85 0.29 0.89 0.00 0.15 0.21 66 H C C 129.30 5.38 9.32 16.63 112.59 -108.69 -77.59 139.58 88.71 1.19 10.09 64.44 15.06 7.91 1.56 9.74 0.00 0.57 0.71 67 R C C 141.31 4.92 8.90 15.52 115.39 -134.43 -89.71 137.48 86.16 1.46 12.38 58.16 16.85 9.51 1.51 12.56 0.00 0.78 0.63 68 K C C 159.87 1.71 10.01 13.03 109.78 -140.06 -88.89 115.17 85.37 2.09 12.54 51.14 20.06 13.09 1.42 12.35 0.00 1.19 0.74 69 F C C 144.22 3.69 7.92 13.22 111.50 68.25 -97.69 110.12 90.82 2.86 6.32 77.88 4.29 8.82 1.18 4.76 0.00 1.58 1.47 70 L C C 112.10 4.68 10.48 16.64 106.69 -130.44 -83.02 97.83 99.93 0.07 0.01 99.88 0.06 0.02 0.00 0.00 0.00 0.03 0.01