# 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 I C C 95.98 7.08 10.83 19.30 116.13 -163.91 -96.49 127.66 99.90 0.09 0.01 99.78 0.15 0.02 0.01 0.00 0.00 0.03 0.02 1 A C C 74.71 2.69 11.22 15.23 116.23 -115.38 -77.62 146.96 98.75 0.25 1.01 98.16 0.33 0.54 0.70 0.08 0.00 0.09 0.10 2 P C C 96.67 3.07 9.84 14.61 112.18 -102.76 -68.53 146.05 88.29 1.06 10.65 75.89 6.17 6.31 8.37 2.17 0.00 0.53 0.56 3 I C C 115.60 3.64 7.94 13.37 106.99 -117.57 -83.14 115.51 80.01 2.75 17.25 61.63 10.22 7.45 14.92 2.99 0.00 1.19 1.59 4 T C C 98.57 2.04 10.02 13.20 106.79 95.70 -90.95 45.08 72.63 1.78 25.59 48.84 12.67 9.91 23.87 3.07 0.00 0.80 0.83 5 G C C 44.54 2.80 10.69 14.66 101.70 33.39 7.89 -32.74 63.41 0.76 35.83 38.53 14.11 9.12 35.30 2.30 0.00 0.28 0.36 6 T H H 87.94 2.08 10.98 13.82 96.21 60.31 -69.27 -37.31 22.98 0.41 76.61 14.18 4.70 4.82 74.00 1.96 0.01 0.18 0.16 7 I H H 104.97 2.19 11.13 14.19 94.16 51.97 -67.25 -39.28 12.38 0.43 87.19 7.38 2.24 3.70 84.22 2.09 0.01 0.24 0.13 8 K H H 125.34 2.00 12.28 14.88 93.56 52.32 -66.58 -39.79 9.65 0.35 89.99 6.36 1.42 2.66 87.31 1.94 0.01 0.21 0.10 9 R H H 141.57 1.85 13.14 15.27 93.51 50.96 -66.61 -39.42 6.40 0.12 93.47 3.69 0.92 2.05 92.23 1.01 0.00 0.06 0.04 10 R H H 135.52 2.26 13.30 16.08 93.39 51.69 -66.62 -39.45 4.09 0.07 95.85 2.15 0.52 1.41 95.33 0.54 0.00 0.03 0.02 11 V H H 83.84 2.47 13.32 16.49 92.65 51.13 -65.12 -41.60 2.32 0.03 97.65 1.11 0.26 0.87 97.37 0.36 0.00 0.02 0.01 12 I H H 103.60 1.64 14.66 15.91 92.30 49.67 -64.87 -41.47 1.05 0.01 98.94 0.39 0.11 0.45 98.84 0.21 0.00 0.01 0.00 13 M H H 104.10 1.90 14.85 16.63 92.23 49.36 -65.06 -41.24 0.65 0.00 99.35 0.17 0.06 0.32 99.33 0.13 0.00 0.00 0.00 14 D H H 78.47 2.77 14.08 17.66 92.25 49.56 -65.69 -40.58 0.78 0.00 99.21 0.17 0.06 0.43 99.21 0.13 0.00 0.00 0.00 15 I H H 97.10 2.28 15.18 17.60 92.16 49.54 -65.18 -41.26 0.58 0.00 99.41 0.10 0.05 0.34 99.40 0.12 0.00 0.00 0.00 16 V H H 85.42 1.83 16.05 17.32 92.17 49.38 -64.59 -42.06 0.51 0.00 99.48 0.08 0.04 0.30 99.46 0.13 0.00 0.00 0.00 17 L H H 92.79 2.02 15.98 17.74 92.16 48.71 -64.78 -41.41 0.67 0.00 99.33 0.08 0.04 0.43 99.24 0.22 0.00 0.00 0.00 18 G H H 35.33 2.97 14.64 18.49 92.03 50.88 -63.78 -41.61 1.29 0.00 98.71 0.13 0.08 0.90 98.54 0.36 0.00 0.00 0.00 19 F H H 126.01 1.95 16.12 17.75 92.16 49.54 -65.08 -40.62 2.91 0.01 97.08 0.25 0.20 2.24 96.72 0.59 0.00 0.00 0.00 20 S H H 63.38 1.90 16.18 17.61 92.27 50.62 -64.58 -41.57 5.19 0.01 94.80 0.53 0.42 3.91 94.44 0.68 0.00 0.00 0.01 21 L H H 95.96 1.90 16.25 17.69 92.21 49.58 -65.00 -41.13 5.66 0.01 94.32 0.74 0.57 4.05 93.82 0.80 0.00 0.00 0.01 22 G H H 36.02 2.94 15.06 18.61 92.31 51.12 -63.96 -41.20 4.55 0.01 95.44 0.70 0.45 3.07 94.94 0.82 0.00 0.00 0.00 23 G H H 39.12 2.32 15.41 17.92 92.36 50.53 -64.76 -40.92 3.63 0.01 96.36 0.62 0.38 2.37 95.76 0.86 0.00 0.00 0.00 24 V H H 86.65 1.78 16.01 17.21 92.08 50.15 -64.79 -41.49 2.76 0.01 97.23 0.56 0.29 1.69 96.70 0.75 0.00 0.00 0.00 25 M H H 105.18 1.77 16.03 17.16 92.16 49.92 -64.53 -40.93 2.77 0.01 97.23 0.52 0.25 1.73 96.84 0.65 0.00 0.00 0.00 26 A H H 55.02 2.77 14.31 17.76 92.07 50.62 -64.43 -40.45 2.46 0.01 97.54 0.41 0.19 1.57 97.31 0.51 0.00 0.00 0.00 27 S H H 60.71 2.51 14.16 17.31 92.07 50.96 -64.40 -40.38 1.81 0.01 98.19 0.27 0.14 1.18 97.89 0.51 0.00 0.00 0.00 28 Y H H 141.80 1.34 14.83 15.36 92.04 50.50 -65.07 -40.85 1.16 0.00 98.84 0.12 0.08 0.83 98.46 0.50 0.00 0.00 0.00 29 W H H 157.41 1.41 14.45 15.12 92.44 48.88 -65.95 -40.89 1.29 0.00 98.71 0.12 0.09 0.99 98.23 0.58 0.00 0.00 0.00 30 W H H 138.55 2.61 13.18 16.53 92.45 48.74 -66.38 -40.53 1.94 0.01 98.05 0.15 0.13 1.57 97.41 0.73 0.00 0.00 0.00 31 W H H 151.62 2.12 13.51 16.08 92.29 48.91 -65.88 -39.88 3.40 0.01 96.60 0.15 0.19 3.11 95.46 1.08 0.01 0.00 0.00 32 G H H 43.15 1.59 14.44 15.56 93.23 47.68 -66.54 -40.03 9.98 0.01 90.01 0.24 0.43 9.61 88.30 1.39 0.02 0.00 0.01 33 F H H 124.18 1.81 14.26 15.77 96.44 43.52 -75.68 -39.58 38.57 0.05 61.37 0.67 1.87 35.47 60.13 1.74 0.06 0.02 0.05 34 H H H 95.81 3.74 12.87 17.90 95.26 44.32 -73.25 -36.67 22.95 0.06 76.99 1.73 1.84 19.19 75.55 1.59 0.04 0.02 0.05 35 M H H 99.31 2.60 13.82 17.18 92.02 53.59 -63.36 -41.89 3.60 0.01 96.39 0.92 0.43 1.97 95.80 0.88 0.00 0.00 0.00 36 D H H 86.76 1.53 15.36 16.14 92.31 49.85 -65.06 -39.90 2.55 0.01 97.44 0.90 0.24 1.29 96.71 0.85 0.00 0.00 0.00 37 K H H 112.40 2.22 15.03 17.34 92.36 49.88 -65.68 -40.57 1.23 0.00 98.76 0.43 0.12 0.61 98.25 0.58 0.00 0.00 0.00 38 I H H 82.78 2.95 14.17 18.04 92.10 49.86 -64.33 -41.76 0.56 0.00 99.43 0.17 0.05 0.28 99.38 0.14 0.00 0.00 0.00 39 N H H 88.06 1.72 15.30 16.63 91.89 50.41 -64.22 -41.18 0.48 0.00 99.52 0.12 0.03 0.24 99.55 0.06 0.00 0.00 0.00 40 K H H 118.20 1.65 15.25 16.45 92.01 50.05 -64.85 -41.44 0.37 0.00 99.63 0.08 0.03 0.20 99.65 0.05 0.00 0.00 0.00 41 R H H 129.83 2.11 14.66 16.96 91.91 49.50 -64.90 -41.10 0.28 0.00 99.72 0.04 0.01 0.16 99.74 0.04 0.00 0.00 0.00 42 E H H 105.82 1.91 14.76 16.64 91.77 50.17 -64.52 -40.74 0.30 0.00 99.70 0.03 0.01 0.18 99.74 0.03 0.00 0.00 0.00 43 K H H 123.12 1.34 15.32 15.76 91.90 49.78 -64.99 -40.95 0.25 0.00 99.75 0.03 0.01 0.15 99.78 0.03 0.00 0.00 0.00 44 F H H 110.99 1.97 14.52 16.50 91.95 49.89 -64.34 -42.20 0.21 0.00 99.79 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 45 Y H H 124.05 2.05 14.03 16.31 91.99 49.39 -64.96 -41.09 0.17 0.00 99.83 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 46 A H H 56.14 1.85 13.61 15.73 91.76 50.60 -63.72 -41.17 0.19 0.00 99.80 0.02 0.01 0.12 99.82 0.04 0.00 0.00 0.00 47 E H H 108.60 1.39 13.65 14.56 92.01 50.22 -65.04 -40.77 0.42 0.00 99.58 0.04 0.02 0.28 99.59 0.07 0.00 0.00 0.00 48 L H H 92.35 1.81 11.54 13.94 92.19 50.11 -65.41 -39.74 0.89 0.00 99.11 0.09 0.05 0.61 99.02 0.23 0.00 0.00 0.00 49 A H H 69.59 1.64 10.64 12.96 92.26 51.50 -66.09 -37.78 2.99 0.00 97.01 0.22 0.16 2.28 96.71 0.62 0.00 0.00 0.00 50 E H H 145.89 0.89 10.12 10.98 93.31 52.45 -68.75 -30.62 16.88 0.01 83.11 0.81 0.69 14.56 83.01 0.92 0.00 0.00 0.01 51 R H H 175.41 1.03 9.29 10.67 96.08 54.19 -78.93 -12.89 47.82 0.04 52.14 13.78 1.05 29.89 54.30 0.92 0.00 0.01 0.04 52 K C C 151.02 2.20 10.23 13.95 101.36 85.21 -68.57 39.07 99.95 0.01 0.04 99.65 0.12 0.19 0.03 0.00 0.00 0.00 0.00