# 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 T C C 104.27 2.19 12.75 15.95 115.02 -165.89 -101.29 129.95 99.79 0.20 0.01 99.69 0.16 0.03 0.00 0.00 0.00 0.09 0.03 1 I C C 97.59 6.19 7.47 15.31 117.30 -151.57 -100.54 136.20 96.84 2.85 0.31 95.77 1.18 0.19 0.25 0.04 0.00 1.00 1.56 2 T C C 74.69 2.37 10.81 14.32 117.52 -120.99 -77.32 155.93 99.18 0.21 0.62 97.23 1.82 0.17 0.60 0.03 0.00 0.07 0.08 3 P H H 104.12 1.75 10.32 13.12 92.27 -110.24 -58.49 -36.87 11.20 0.03 88.76 1.93 1.18 7.69 82.85 6.30 0.01 0.02 0.02 4 S H H 78.46 1.26 11.43 12.77 92.64 53.58 -66.11 -37.91 8.88 0.03 91.09 1.06 0.73 6.62 83.63 7.92 0.01 0.02 0.01 5 L H H 87.08 2.88 11.32 15.42 92.80 49.97 -66.90 -38.70 4.17 0.03 95.80 0.83 0.45 2.54 87.60 8.56 0.00 0.02 0.01 6 K H H 114.19 2.57 13.04 16.48 92.28 53.02 -64.45 -40.76 1.15 0.00 98.84 0.30 0.12 0.59 98.34 0.65 0.00 0.00 0.00 7 G H H 38.94 2.05 13.20 15.74 92.19 50.21 -64.33 -40.90 1.26 0.00 98.73 0.20 0.09 0.80 98.51 0.39 0.00 0.00 0.00 8 F H H 125.51 1.82 13.67 15.61 92.20 50.26 -65.25 -41.16 0.88 0.00 99.12 0.12 0.06 0.58 98.94 0.29 0.00 0.00 0.00 9 F H H 123.91 1.82 14.19 15.94 92.44 49.55 -64.87 -41.56 0.61 0.00 99.39 0.10 0.04 0.38 99.27 0.21 0.00 0.00 0.00 10 I H H 103.33 1.59 14.75 15.92 92.18 49.02 -65.10 -41.20 0.62 0.00 99.38 0.08 0.04 0.43 99.21 0.24 0.00 0.00 0.00 11 G H H 38.03 2.55 13.55 16.90 92.14 51.39 -64.79 -40.97 1.46 0.00 98.54 0.11 0.07 1.19 98.28 0.34 0.00 0.00 0.00 12 L H H 103.07 1.82 14.51 16.25 92.12 49.73 -65.28 -40.81 2.40 0.00 97.60 0.12 0.11 2.12 97.31 0.33 0.00 0.00 0.00 13 L H H 101.18 1.54 15.48 16.31 92.32 49.31 -64.78 -41.73 1.23 0.00 98.77 0.15 0.10 0.83 98.73 0.19 0.00 0.00 0.00 14 S H H 62.24 1.88 15.19 16.85 91.88 50.01 -64.48 -41.32 0.65 0.00 99.35 0.08 0.04 0.42 99.30 0.15 0.00 0.00 0.00 15 G H H 35.51 2.92 13.90 17.83 91.95 50.98 -63.61 -41.20 0.47 0.00 99.53 0.05 0.02 0.30 99.51 0.11 0.00 0.00 0.00 16 A H H 63.06 2.00 14.81 16.80 92.04 50.76 -64.94 -40.63 0.25 0.00 99.75 0.03 0.01 0.15 99.74 0.07 0.00 0.00 0.00 17 V H H 92.85 1.38 15.56 15.91 92.30 49.60 -65.14 -41.72 0.24 0.00 99.76 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 18 V H H 86.74 1.95 14.64 16.52 92.21 48.75 -64.89 -42.19 0.27 0.00 99.73 0.04 0.01 0.16 99.75 0.04 0.00 0.00 0.00 19 L H H 97.13 2.20 14.13 16.61 91.82 49.65 -64.64 -41.15 0.48 0.00 99.52 0.06 0.02 0.30 99.54 0.07 0.00 0.00 0.00 20 G H H 41.65 1.62 14.56 15.82 92.17 50.23 -64.34 -41.25 1.05 0.01 98.95 0.13 0.06 0.71 98.96 0.13 0.00 0.00 0.00 21 L H H 101.80 1.37 14.84 15.38 92.60 49.16 -65.18 -40.64 1.67 0.02 98.31 0.31 0.12 1.06 98.28 0.22 0.00 0.01 0.01 22 T H H 77.06 2.15 14.01 16.41 92.39 50.14 -65.19 -41.39 2.03 0.02 97.95 0.37 0.15 1.28 97.94 0.25 0.00 0.01 0.01 23 F H H 123.64 1.82 14.25 15.99 92.08 50.24 -65.11 -40.67 1.66 0.01 98.32 0.32 0.14 1.00 98.32 0.21 0.00 0.01 0.00 24 A H H 64.88 1.47 14.72 15.54 91.91 51.05 -64.28 -41.13 0.91 0.01 99.09 0.23 0.07 0.45 99.12 0.12 0.00 0.00 0.00 25 V H H 87.23 1.58 14.39 15.57 91.84 50.27 -64.97 -41.15 0.69 0.01 99.31 0.16 0.04 0.35 99.34 0.11 0.00 0.00 0.00 26 L H H 94.82 2.06 13.70 16.07 91.99 50.50 -64.87 -41.48 0.47 0.01 99.53 0.10 0.03 0.24 99.53 0.10 0.00 0.00 0.00 27 I H H 100.20 1.64 13.99 15.39 91.96 49.98 -64.72 -41.78 0.49 0.01 99.50 0.10 0.03 0.26 99.50 0.11 0.00 0.00 0.00 28 A H H 64.96 1.43 14.22 15.06 92.28 50.01 -64.82 -41.27 0.83 0.01 99.16 0.14 0.05 0.50 99.10 0.21 0.00 0.00 0.00 29 I H H 100.50 1.63 13.31 14.82 92.80 48.44 -65.66 -40.90 1.68 0.01 98.30 0.27 0.13 1.09 98.04 0.45 0.00 0.01 0.00 30 S H H 62.51 2.18 12.02 15.05 92.95 51.31 -65.55 -38.48 6.30 0.02 93.68 0.89 0.50 4.39 93.30 0.90 0.00 0.01 0.01 31 Q H H 121.74 1.41 12.33 13.70 93.77 51.19 -68.60 -34.62 18.34 0.06 81.60 2.47 1.76 13.56 80.25 1.89 0.02 0.03 0.03 32 I H H 115.51 1.63 11.34 13.36 94.68 53.81 -71.39 -32.01 25.57 0.28 74.15 7.60 5.17 13.30 71.14 2.50 0.03 0.12 0.14 33 D H H 98.63 2.25 9.93 13.45 97.54 60.78 -75.60 -20.29 40.13 0.75 59.12 24.51 5.71 9.58 56.34 3.21 0.01 0.39 0.25 34 K H H 150.39 1.41 9.30 11.62 100.95 68.57 -79.91 -6.42 42.73 1.95 55.32 26.78 6.13 10.20 50.41 4.66 0.01 1.33 0.48 35 V H H 111.82 1.77 7.86 11.00 106.84 71.31 -87.29 64.13 43.83 5.08 51.10 29.14 6.59 8.61 46.24 4.60 0.04 3.84 0.95 36 Q C H 137.23 1.53 7.59 10.49 109.10 87.21 -88.54 101.34 51.15 6.81 42.05 36.13 6.33 8.54 38.24 4.28 0.03 5.17 1.29 37 R C C 178.43 1.47 6.82 9.75 108.60 83.05 -88.50 95.71 64.03 4.70 31.27 38.51 8.99 15.71 27.78 4.51 0.03 3.33 1.13 38 S C C 93.34 1.16 7.54 9.82 108.75 76.30 -91.84 93.20 81.15 1.48 17.37 60.83 1.87 17.87 15.44 2.43 0.00 1.01 0.55 39 L C C 127.57 2.34 9.04 13.00 105.73 -141.16 -85.53 53.92 99.95 0.03 0.02 99.86 0.06 0.05 0.01 0.00 0.00 0.01 0.00