# 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 115.43 4.34 11.18 16.83 108.65 -159.33 -88.20 113.87 99.86 0.08 0.06 99.80 0.07 0.05 0.03 0.00 0.00 0.03 0.01 1 A C C 76.02 2.79 8.98 13.23 102.72 117.80 -79.68 -14.23 71.43 1.45 27.12 66.90 1.31 6.25 15.67 8.42 0.00 0.77 0.68 2 T H G 100.79 1.77 8.76 11.58 98.65 68.00 -75.50 -26.24 44.07 1.51 54.42 22.53 7.66 14.16 20.94 33.27 0.01 0.84 0.59 3 A H G 79.54 1.79 9.39 12.12 97.30 64.23 -72.45 -28.58 42.05 1.17 56.77 14.77 7.78 18.90 22.48 34.91 0.02 0.65 0.50 4 F H H 134.78 2.30 9.45 12.94 97.32 57.38 -76.31 -23.73 35.03 0.79 64.18 12.89 6.67 14.99 35.38 29.23 0.04 0.40 0.41 5 L H H 96.81 2.74 10.28 14.44 96.24 64.43 -68.20 -38.13 24.20 0.28 75.52 15.06 6.20 4.38 70.20 3.92 0.00 0.12 0.11 6 P H H 81.35 2.20 12.20 15.07 94.35 52.59 -66.73 -38.19 16.25 0.20 83.55 10.64 1.92 4.50 78.55 4.20 0.01 0.12 0.07 7 S H H 66.54 2.27 12.21 15.19 94.13 52.45 -67.54 -38.45 8.35 0.19 91.45 4.36 1.33 3.31 84.99 5.82 0.01 0.13 0.06 8 I H H 103.30 2.34 11.82 15.01 93.45 51.21 -67.33 -38.86 6.97 0.18 92.84 3.01 1.21 3.25 87.51 4.83 0.02 0.12 0.06 9 L H H 105.26 2.05 12.20 14.94 93.75 51.17 -67.95 -37.04 10.85 0.24 88.91 4.40 1.82 5.38 83.69 4.46 0.03 0.14 0.10 10 A H H 67.89 2.24 12.34 15.31 94.98 53.20 -69.31 -36.47 20.43 0.33 79.24 7.42 3.47 10.73 73.65 4.37 0.04 0.15 0.17 11 D H H 94.05 2.43 12.07 15.37 96.78 53.77 -73.05 -29.88 26.17 0.30 73.53 8.87 4.44 14.06 65.57 6.71 0.04 0.13 0.18 12 A H H 65.57 3.73 11.04 16.22 96.29 58.33 -71.50 -27.55 25.93 0.27 73.80 6.69 3.77 14.57 54.54 20.11 0.05 0.14 0.15 13 S H H 74.03 2.58 12.13 15.68 95.57 60.07 -74.03 -25.06 37.51 0.29 62.20 6.25 4.49 24.61 41.82 22.43 0.06 0.15 0.20 14 F H H 132.52 2.67 11.85 15.49 96.66 55.53 -78.50 -20.09 40.82 0.42 58.77 9.73 6.01 24.19 38.35 21.17 0.06 0.20 0.30 15 L H H 94.11 3.40 11.34 16.25 94.53 72.01 -66.65 -38.45 28.86 0.40 70.74 14.62 6.68 8.83 60.51 8.95 0.03 0.18 0.20 16 S H H 63.78 3.18 11.91 16.37 93.69 55.36 -65.98 -36.33 13.31 0.16 86.53 4.15 1.86 6.98 71.42 15.42 0.03 0.09 0.06 17 S H H 74.14 2.06 12.66 15.26 93.05 53.13 -68.19 -34.16 8.57 0.06 91.37 1.11 0.80 5.80 72.74 19.49 0.02 0.03 0.02 18 I H H 108.60 1.96 12.92 15.21 94.87 49.06 -71.66 -36.88 15.83 0.06 84.10 0.85 1.12 12.72 67.11 18.09 0.05 0.03 0.03 19 F H H 114.58 3.44 12.78 17.26 94.78 47.58 -75.00 -31.50 19.53 0.06 80.41 0.95 1.40 16.76 72.18 8.57 0.07 0.03 0.04 20 V H H 78.01 3.36 12.70 17.49 92.41 61.09 -63.34 -42.98 4.19 0.02 95.79 0.94 0.67 2.44 92.29 3.64 0.01 0.01 0.01 21 P H H 76.83 2.46 14.33 17.29 91.94 49.88 -64.76 -39.93 3.23 0.03 96.75 0.53 0.26 2.23 92.27 4.67 0.01 0.01 0.01 22 V H H 88.70 1.85 14.99 16.57 92.70 48.67 -66.30 -40.81 2.05 0.03 97.92 0.30 0.20 1.44 93.34 4.69 0.01 0.02 0.01 23 I H H 93.40 2.46 14.34 17.25 92.28 48.98 -65.82 -40.83 2.46 0.03 97.50 0.33 0.25 1.79 94.34 3.24 0.01 0.02 0.01 24 G H H 36.25 3.42 13.02 17.80 92.33 50.92 -65.37 -39.35 18.13 0.04 81.83 0.61 0.66 17.55 77.02 4.09 0.03 0.02 0.02 25 W H H 162.12 1.73 14.59 16.09 93.67 47.19 -68.76 -38.28 42.91 0.05 57.04 0.65 1.41 40.91 53.88 3.05 0.04 0.02 0.04 26 V H H 89.20 1.75 15.11 16.38 94.28 46.66 -70.13 -41.19 13.99 0.04 85.97 0.72 1.63 11.54 84.94 1.10 0.03 0.01 0.03 27 V H H 81.66 2.45 14.45 17.30 92.61 49.35 -65.53 -41.97 5.79 0.02 94.20 1.65 1.02 2.87 93.72 0.72 0.00 0.00 0.01 28 P H H 69.49 3.06 13.86 18.01 91.95 50.71 -64.25 -40.55 2.73 0.01 97.25 1.01 0.23 1.30 96.79 0.66 0.00 0.00 0.00 29 I H H 101.09 1.68 15.46 16.62 92.08 49.90 -64.83 -41.32 0.31 0.00 99.69 0.06 0.02 0.16 99.51 0.25 0.00 0.00 0.00 30 A H H 61.37 1.88 15.26 16.84 91.98 49.64 -64.67 -41.56 0.15 0.00 99.85 0.02 0.01 0.08 99.83 0.06 0.00 0.00 0.00 31 T H H 71.13 2.52 14.47 17.52 92.07 49.49 -64.66 -41.74 0.14 0.00 99.86 0.02 0.01 0.08 99.86 0.04 0.00 0.00 0.00 32 F H H 119.69 1.96 14.96 16.90 92.00 49.70 -64.43 -41.21 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 33 S H H 59.98 1.87 14.68 16.47 91.63 50.79 -63.89 -41.67 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 34 F H H 119.49 1.74 14.72 16.20 91.93 49.92 -64.60 -41.11 0.16 0.00 99.84 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 35 L H H 91.88 2.00 14.37 16.50 91.65 50.57 -64.16 -41.45 0.15 0.00 99.85 0.01 0.00 0.10 99.84 0.04 0.00 0.00 0.00 36 F H H 117.80 1.76 14.34 15.98 91.71 50.41 -64.42 -41.23 0.26 0.00 99.74 0.02 0.01 0.18 99.71 0.08 0.00 0.00 0.00 37 L H H 89.93 1.84 14.13 15.96 91.76 50.28 -64.12 -41.56 0.48 0.00 99.51 0.05 0.02 0.35 99.43 0.14 0.00 0.00 0.00 38 Y H H 125.84 1.74 13.84 15.50 92.18 49.57 -64.58 -41.41 1.17 0.02 98.82 0.16 0.08 0.84 98.63 0.27 0.00 0.01 0.00 39 I H H 93.15 1.70 12.97 14.80 91.91 49.39 -64.74 -41.52 2.55 0.10 97.35 0.61 0.28 1.56 97.05 0.41 0.00 0.07 0.02 40 E H H 108.22 1.76 11.96 14.22 92.22 50.44 -65.65 -39.64 5.06 0.12 94.83 1.41 0.61 2.83 94.34 0.70 0.00 0.08 0.03 41 R H H 149.21 1.46 11.36 13.17 92.80 51.13 -66.85 -38.10 10.81 0.12 89.07 2.77 1.44 6.43 87.72 1.52 0.01 0.06 0.05 42 E H H 134.19 1.20 10.67 12.07 94.16 50.96 -69.36 -34.01 19.99 0.17 79.84 5.98 3.03 10.80 78.23 1.79 0.01 0.07 0.09 43 D H H 112.94 1.17 9.42 11.08 96.17 52.75 -75.69 -22.19 39.31 0.56 60.14 16.20 5.24 17.76 58.18 2.11 0.01 0.22 0.28 44 V C C 109.35 1.90 7.55 10.82 100.57 61.51 -83.64 -7.74 61.26 0.65 38.10 40.23 2.11 17.06 38.41 1.59 0.00 0.26 0.35 45 A C C 85.00 1.95 10.72 13.85 103.34 69.13 -75.30 58.30 99.89 0.03 0.08 99.74 0.07 0.11 0.06 0.00 0.00 0.01 0.00