# 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 129.72 3.46 9.77 14.88 113.94 -168.59 -89.92 129.08 99.94 0.05 0.01 99.87 0.07 0.03 0.00 0.00 0.00 0.02 0.01 1 S C C 84.30 2.25 8.69 12.58 113.65 -134.55 -86.44 137.62 94.67 0.79 4.53 89.75 1.42 3.98 3.09 0.92 0.00 0.34 0.50 2 S C C 83.33 2.21 8.65 12.49 114.38 -109.00 -85.33 140.83 87.25 0.83 11.91 54.16 18.53 14.66 7.36 4.38 0.00 0.36 0.55 3 P C C 94.47 3.71 8.58 14.09 108.72 -109.34 -73.68 131.24 82.61 0.69 16.71 49.72 16.27 16.64 11.48 5.12 0.00 0.29 0.47 4 T C C 80.37 3.03 9.97 14.46 114.26 -138.28 -87.34 156.74 67.43 1.12 31.45 46.18 14.53 6.66 28.13 3.37 0.00 0.36 0.78 5 I H H 120.43 1.87 10.85 13.48 94.38 -110.79 -64.04 -37.71 17.08 0.21 82.72 6.47 4.26 7.26 79.68 2.09 0.03 0.08 0.12 6 P H H 83.54 2.05 12.09 14.78 92.85 51.95 -65.52 -38.84 12.75 0.12 87.13 4.81 2.04 6.03 85.13 1.85 0.03 0.06 0.06 7 S H H 51.52 4.09 11.77 17.58 92.56 51.27 -66.20 -39.60 4.85 0.07 95.08 2.24 0.84 2.03 93.25 1.56 0.01 0.04 0.03 8 R H H 134.99 2.36 13.66 16.61 92.62 50.52 -65.78 -40.42 2.49 0.06 97.45 0.90 0.39 1.31 96.19 1.14 0.02 0.03 0.02 9 L H H 91.96 2.10 13.93 16.24 92.36 49.50 -65.22 -41.50 2.31 0.05 97.63 0.67 0.31 1.35 96.43 1.17 0.02 0.03 0.02 10 Y H H 114.41 3.47 12.76 17.52 92.59 48.89 -66.66 -40.23 3.91 0.09 96.01 1.03 0.55 2.48 94.40 1.42 0.04 0.04 0.04 11 S H H 57.33 3.74 12.76 17.82 93.02 51.07 -66.52 -38.73 8.34 0.08 91.58 0.97 0.84 6.89 89.56 1.55 0.12 0.03 0.05 12 L H H 102.79 1.82 14.04 15.73 95.72 43.36 -73.64 -40.31 22.24 0.13 77.63 0.71 1.82 20.83 73.96 2.16 0.37 0.04 0.11 13 L C T 100.30 2.52 13.42 16.33 99.43 34.80 -84.27 -39.30 55.08 0.28 44.64 0.95 3.60 50.14 41.03 3.40 0.50 0.10 0.29 14 F C T 111.75 4.44 11.68 17.53 100.19 34.49 -89.97 -24.62 63.32 0.52 36.16 3.51 7.21 51.56 28.17 8.60 0.21 0.22 0.53 15 R C T 144.25 3.17 12.64 16.95 95.84 64.48 -72.48 -29.14 68.03 0.95 31.01 9.02 13.80 44.81 19.91 11.09 0.14 0.42 0.82 16 R C T 149.28 2.54 12.83 16.21 102.94 47.58 -93.41 11.27 71.64 1.54 26.82 27.98 16.12 28.33 15.96 9.86 0.04 0.60 1.10 17 T H H 67.41 5.35 11.09 18.13 112.24 86.82 -91.82 145.48 48.11 1.10 50.79 31.44 12.99 4.30 48.48 1.79 0.01 0.30 0.69 18 S H H 75.08 2.58 13.48 16.72 94.55 -114.41 -66.75 -33.90 10.87 0.07 89.06 3.30 2.01 5.68 87.57 1.37 0.01 0.03 0.03 19 T H H 75.05 2.90 14.14 17.78 92.91 54.91 -65.60 -40.07 3.94 0.03 96.03 1.24 0.48 2.02 95.44 0.80 0.00 0.01 0.01 20 F H H 96.75 4.81 13.44 19.82 92.37 51.25 -64.93 -40.58 0.87 0.00 99.12 0.27 0.09 0.40 98.87 0.37 0.00 0.00 0.00 21 A H H 56.83 3.60 14.55 19.07 91.83 50.90 -63.96 -41.28 0.38 0.00 99.62 0.09 0.03 0.18 99.58 0.12 0.00 0.00 0.00 22 L H H 99.01 1.97 16.05 17.67 92.05 50.19 -65.04 -40.65 0.28 0.00 99.72 0.05 0.01 0.15 99.71 0.07 0.00 0.00 0.00 23 T H H 71.45 2.74 15.45 18.69 92.36 49.87 -65.18 -41.80 0.27 0.00 99.73 0.04 0.02 0.16 99.73 0.05 0.00 0.00 0.00 24 I H H 87.90 3.70 15.17 19.81 92.24 49.22 -65.16 -42.06 0.27 0.00 99.73 0.03 0.01 0.18 99.73 0.04 0.00 0.00 0.00 25 A H H 59.06 2.90 16.06 19.27 91.85 49.88 -64.22 -42.36 0.42 0.00 99.58 0.05 0.02 0.28 99.58 0.06 0.00 0.00 0.00 26 V H H 84.01 1.82 17.22 18.18 91.90 49.18 -64.41 -42.14 0.55 0.00 99.45 0.07 0.04 0.36 99.46 0.07 0.00 0.00 0.00 27 G H H 32.38 2.96 15.85 19.54 91.88 50.52 -63.57 -41.73 0.58 0.00 99.42 0.09 0.03 0.35 99.46 0.07 0.00 0.00 0.00 28 A H H 49.59 3.64 15.11 19.86 91.70 50.86 -63.52 -41.62 0.30 0.00 99.70 0.04 0.01 0.18 99.71 0.06 0.00 0.00 0.00 29 L H H 91.75 2.43 16.18 18.66 91.74 50.08 -64.05 -42.05 0.19 0.00 99.81 0.02 0.01 0.12 99.80 0.05 0.00 0.00 0.00 30 F H H 124.17 1.60 16.61 17.27 91.85 50.04 -64.17 -42.07 0.22 0.00 99.78 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 31 F H H 117.62 1.97 15.95 17.64 91.91 49.29 -64.32 -41.54 0.29 0.00 99.71 0.03 0.01 0.19 99.71 0.06 0.00 0.00 0.00 32 E H H 94.27 3.53 14.88 19.41 91.97 50.11 -64.24 -41.08 0.25 0.00 99.75 0.02 0.01 0.16 99.77 0.05 0.00 0.00 0.00 33 R H H 128.39 2.50 15.77 18.53 91.82 50.48 -64.49 -40.91 0.30 0.00 99.70 0.03 0.01 0.20 99.68 0.07 0.00 0.00 0.00 34 A H H 60.80 1.82 16.50 17.65 91.82 50.43 -64.05 -41.74 0.54 0.00 99.46 0.06 0.03 0.37 99.43 0.12 0.00 0.00 0.00 35 F H H 118.71 2.05 16.39 18.12 92.11 49.12 -64.87 -41.38 0.78 0.00 99.22 0.11 0.05 0.51 99.20 0.14 0.00 0.00 0.00 36 D H H 71.66 4.02 14.87 20.07 92.10 50.09 -64.64 -41.22 0.97 0.00 99.03 0.16 0.07 0.59 99.06 0.12 0.00 0.00 0.00 37 Q H H 105.11 2.23 16.60 18.68 91.92 49.92 -64.87 -41.14 0.84 0.00 99.16 0.09 0.05 0.57 99.18 0.11 0.00 0.00 0.00 38 G H H 39.49 1.81 17.02 18.06 91.99 50.28 -64.17 -41.53 0.90 0.00 99.10 0.11 0.06 0.58 99.12 0.12 0.00 0.00 0.00 39 A H H 52.49 3.05 15.72 19.53 91.68 50.35 -64.25 -41.39 0.57 0.00 99.43 0.08 0.03 0.33 99.46 0.10 0.00 0.00 0.00 40 D H H 71.87 3.90 15.45 20.44 91.74 50.87 -64.03 -40.66 0.41 0.00 99.59 0.05 0.02 0.24 99.63 0.07 0.00 0.00 0.00 41 A H H 57.13 2.20 16.12 18.28 91.63 50.73 -63.64 -41.58 0.50 0.00 99.50 0.04 0.02 0.32 99.53 0.08 0.00 0.00 0.00 42 I H H 94.91 1.76 16.11 17.27 91.68 49.46 -63.72 -42.59 0.51 0.00 99.49 0.05 0.03 0.34 99.48 0.10 0.00 0.00 0.00 43 Y H H 111.94 3.49 14.01 18.68 92.13 48.98 -64.85 -41.39 0.60 0.00 99.40 0.07 0.04 0.40 99.27 0.21 0.00 0.00 0.00 44 E H H 95.78 3.93 12.92 18.30 91.88 50.86 -64.87 -39.87 1.27 0.00 98.73 0.13 0.08 0.95 98.37 0.47 0.00 0.00 0.00 45 H H H 137.11 1.12 14.64 14.83 92.99 48.56 -67.60 -38.64 3.28 0.01 96.72 0.22 0.21 2.71 96.13 0.72 0.00 0.00 0.00 46 I H H 112.27 1.70 13.72 15.27 95.74 44.12 -77.10 -33.89 11.98 0.03 88.00 0.66 0.96 10.25 87.21 0.87 0.02 0.01 0.02 47 N C H 76.01 5.52 9.99 17.35 100.21 42.74 -99.47 6.57 51.91 0.44 47.65 10.78 6.05 34.56 46.24 1.91 0.03 0.15 0.29 48 E C T 127.18 3.20 11.77 16.58 104.25 135.83 -60.66 104.29 63.43 0.75 35.82 14.57 9.03 40.09 29.92 5.52 0.04 0.30 0.53 49 G C T 50.64 2.55 13.41 16.75 98.01 -4.82 78.91 -6.22 63.21 0.41 36.38 10.29 10.86 42.12 27.66 8.54 0.04 0.16 0.33 50 K C H 125.33 2.36 13.65 16.51 96.89 89.90 -80.64 -20.24 52.19 0.56 47.25 19.31 10.45 23.48 37.48 8.66 0.03 0.24 0.36 51 L H H 75.87 5.61 11.79 19.15 94.36 60.99 -66.85 -36.97 35.06 0.49 64.45 14.98 6.64 14.54 56.36 6.96 0.03 0.23 0.26 52 W H H 131.24 4.14 12.42 18.01 92.53 53.92 -64.95 -38.25 10.76 0.13 89.11 3.94 1.59 5.35 80.13 8.85 0.01 0.08 0.04 53 K H H 129.67 1.52 14.99 16.11 92.16 53.04 -65.01 -39.59 6.55 0.05 93.39 1.40 0.73 4.11 84.17 9.53 0.01 0.03 0.01 54 H H H 107.46 2.24 14.10 16.68 92.75 49.86 -66.30 -39.32 9.42 0.06 90.52 1.54 0.95 6.55 81.09 9.79 0.02 0.04 0.03 55 I H H 75.60 4.21 12.62 18.43 92.98 48.28 -67.31 -39.09 10.93 0.12 88.95 3.05 1.58 6.53 83.82 4.88 0.03 0.06 0.06 56 K H H 104.78 2.98 13.37 17.52 91.73 54.32 -62.63 -41.62 4.37 0.04 95.59 1.35 0.54 2.41 92.27 3.39 0.00 0.02 0.01 57 H H H 109.77 1.53 13.95 15.15 92.02 50.74 -64.71 -40.46 4.27 0.03 95.70 0.92 0.43 2.77 91.66 4.19 0.01 0.02 0.01 58 K H H 115.11 1.88 13.07 15.22 92.16 50.11 -65.55 -39.57 4.96 0.04 95.00 1.25 0.62 2.97 90.90 4.20 0.01 0.02 0.01 59 Y H H 118.95 3.03 10.56 15.09 92.70 49.49 -67.37 -37.92 8.62 0.12 91.27 3.04 1.49 4.50 88.00 2.84 0.01 0.06 0.05 60 E H H 125.50 1.64 10.26 12.70 93.25 53.05 -68.18 -33.05 16.55 0.15 83.30 5.20 2.56 9.07 80.52 2.48 0.02 0.06 0.08 61 N H H 123.74 1.00 9.49 10.74 96.15 53.74 -77.78 -15.00 34.72 0.18 65.10 10.07 4.37 20.35 62.92 2.10 0.02 0.06 0.12 62 K C C 149.22 1.77 7.74 10.93 101.71 70.86 -82.61 3.40 64.38 0.17 35.44 37.93 1.83 22.47 36.13 1.46 0.00 0.06 0.12 63 E C C 144.88 1.96 10.14 13.45 106.22 125.88 -81.63 94.78 99.93 0.01 0.06 99.74 0.08 0.13 0.05 0.00 0.00 0.00 0.00