# 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 E C C 109.69 5.09 18.35 23.75 103.73 -127.31 -82.87 78.98 99.79 0.10 0.11 99.72 0.10 0.07 0.03 0.01 0.00 0.03 0.03 1 I H G 38.64 17.54 10.14 26.78 95.21 118.90 -74.26 -20.14 38.64 0.54 60.82 28.86 1.78 7.34 4.14 57.43 0.00 0.32 0.12 2 R H G 135.32 6.96 12.89 21.26 93.54 70.79 -67.24 -24.35 35.74 0.26 64.00 3.46 3.67 26.16 2.50 63.97 0.00 0.15 0.09 3 D H G 122.47 0.98 16.20 15.94 96.68 49.85 -91.22 1.34 34.68 0.23 65.08 3.43 4.11 24.15 1.74 66.37 0.00 0.13 0.07 4 L C S 42.28 13.96 8.05 22.17 119.38 114.45 -84.78 146.13 98.77 0.37 0.85 47.94 50.38 0.54 0.40 0.27 0.00 0.09 0.38 5 T C C 71.60 2.18 19.29 20.29 120.43 -118.59 -77.35 161.83 98.70 0.92 0.38 97.14 1.36 0.12 0.28 0.04 0.00 0.14 0.92 6 T H H 63.96 12.41 12.07 24.84 91.85 -106.04 -59.04 -38.47 2.89 0.01 97.10 0.56 0.60 1.63 96.70 0.49 0.00 0.00 0.00 7 S H H 73.52 1.61 18.04 18.63 92.14 53.10 -64.38 -40.20 1.81 0.00 98.18 0.18 0.17 1.36 97.73 0.54 0.00 0.00 0.00 8 E H H 91.31 3.49 18.28 22.13 91.73 49.29 -65.48 -40.21 0.71 0.00 99.29 0.15 0.06 0.46 98.85 0.48 0.00 0.00 0.00 9 I H H 12.64 18.86 12.69 32.02 91.89 50.59 -63.49 -42.99 0.17 0.00 99.83 0.04 0.01 0.09 99.78 0.09 0.00 0.00 0.00 10 E H H 83.87 8.53 18.53 27.84 91.17 50.92 -62.88 -41.42 0.15 0.00 99.85 0.02 0.01 0.09 99.85 0.04 0.00 0.00 0.00 11 E H H 115.26 1.45 22.21 21.14 91.98 49.55 -64.54 -41.55 0.18 0.00 99.82 0.01 0.01 0.11 99.83 0.04 0.00 0.00 0.00 12 Q H H 72.87 8.28 19.77 28.73 91.84 49.27 -65.21 -40.69 0.32 0.00 99.68 0.03 0.01 0.20 99.69 0.06 0.00 0.00 0.00 13 I H H 17.79 18.88 15.22 34.31 91.74 49.91 -64.23 -42.11 0.59 0.00 99.41 0.07 0.03 0.38 99.43 0.08 0.00 0.00 0.00 14 K H H 112.53 3.42 22.06 25.43 91.49 50.86 -63.60 -41.29 1.13 0.00 98.87 0.17 0.08 0.72 98.92 0.11 0.00 0.00 0.00 15 S H H 56.07 2.45 22.10 23.29 91.70 50.05 -64.40 -41.23 2.90 0.00 97.10 0.34 0.20 1.99 97.28 0.19 0.00 0.00 0.00 16 S H H 14.37 15.45 16.27 32.58 91.89 50.50 -64.75 -41.46 3.27 0.00 96.73 0.63 0.28 1.93 96.95 0.20 0.00 0.00 0.00 17 K H H 87.59 11.08 18.93 30.10 91.55 52.55 -62.67 -41.42 0.96 0.00 99.04 0.23 0.08 0.44 99.16 0.09 0.00 0.00 0.00 18 E H H 113.46 1.62 22.72 22.08 91.74 50.39 -64.30 -41.57 0.34 0.00 99.66 0.06 0.02 0.16 99.70 0.06 0.00 0.00 0.00 19 E H H 82.14 6.29 20.23 27.21 91.73 49.72 -64.84 -41.15 0.26 0.00 99.74 0.03 0.01 0.15 99.73 0.08 0.00 0.00 0.00 20 L H H 24.53 16.84 15.30 32.48 91.77 50.57 -63.94 -41.89 0.23 0.00 99.77 0.02 0.01 0.14 99.74 0.09 0.00 0.00 0.00 21 F H H 103.89 3.73 20.82 24.57 91.59 50.38 -63.56 -41.49 0.30 0.00 99.70 0.02 0.01 0.22 99.67 0.07 0.00 0.00 0.00 22 N H H 88.06 2.26 21.48 22.44 91.88 49.98 -64.93 -41.05 0.99 0.00 99.00 0.05 0.03 0.79 99.01 0.12 0.00 0.00 0.00 23 L H H 28.18 13.51 14.95 29.61 91.88 51.18 -64.34 -40.91 0.83 0.00 99.17 0.07 0.04 0.56 99.01 0.32 0.00 0.00 0.00 24 R H H 106.83 8.68 17.22 26.70 91.77 52.49 -62.94 -41.39 0.77 0.00 99.23 0.11 0.05 0.47 98.82 0.54 0.00 0.00 0.00 25 F H H 126.18 1.41 19.02 18.55 92.01 49.72 -64.60 -40.88 1.25 0.00 98.75 0.15 0.10 0.87 98.23 0.65 0.00 0.00 0.00 26 Q H H 73.30 4.67 15.30 21.36 92.49 49.39 -65.84 -40.23 2.31 0.02 97.68 0.46 0.26 1.45 97.04 0.77 0.01 0.01 0.01 27 L H H 50.52 11.71 11.24 23.79 92.39 51.89 -65.11 -40.28 3.29 0.02 96.69 0.55 0.31 2.32 94.72 2.07 0.01 0.01 0.01 28 A H H 81.04 2.14 13.73 16.78 91.57 53.24 -66.13 -30.50 9.47 0.03 90.50 0.50 0.54 8.46 88.76 1.70 0.02 0.01 0.01 29 T C T 98.58 1.35 13.13 14.17 93.83 50.56 -87.05 -2.50 65.73 0.05 34.22 0.68 2.56 61.79 33.08 1.81 0.01 0.02 0.05 30 G C T 56.72 2.45 11.66 15.75 95.36 -110.67 79.39 9.77 99.20 0.03 0.78 2.76 7.54 89.07 0.39 0.21 0.00 0.01 0.02 31 Q C C 124.02 2.15 13.39 16.38 97.08 122.84 -84.10 -13.90 99.12 0.19 0.69 61.27 35.53 2.29 0.23 0.47 0.00 0.06 0.15 32 L C C 52.23 13.62 7.84 21.21 117.61 62.25 -110.51 126.17 97.73 0.52 1.76 78.13 16.41 3.02 0.55 1.17 0.00 0.15 0.57 33 E C C 145.19 1.97 15.49 18.13 101.78 -166.75 -88.59 -18.01 98.92 0.15 0.93 54.36 42.43 2.20 0.45 0.38 0.00 0.04 0.14 34 E C C 101.51 5.12 13.51 20.05 107.15 52.31 -103.51 92.61 98.32 0.19 1.49 84.49 12.04 1.81 0.99 0.42 0.00 0.05 0.21 35 T H H 70.42 8.48 11.71 21.79 94.21 -169.35 -65.25 -33.74 17.70 0.07 82.23 9.53 2.44 5.86 78.47 3.63 0.00 0.03 0.05 36 A H H 71.56 1.61 17.24 17.98 91.43 57.84 -63.65 -39.53 6.52 0.02 93.46 1.23 0.71 4.14 90.21 3.69 0.00 0.01 0.01 37 R H H 111.18 5.35 17.26 23.58 92.09 50.35 -66.03 -39.93 2.78 0.01 97.20 0.78 0.29 1.54 94.03 3.36 0.00 0.01 0.00 38 I H H 24.17 16.80 13.00 30.16 91.96 51.15 -63.84 -42.07 0.72 0.00 99.28 0.21 0.07 0.35 98.72 0.65 0.00 0.00 0.00 39 R H H 126.57 3.46 20.68 24.16 91.63 51.15 -63.82 -41.22 0.51 0.00 99.49 0.15 0.04 0.25 99.33 0.24 0.00 0.00 0.00 40 T H H 71.60 2.74 21.70 23.56 91.98 49.76 -64.68 -41.76 0.51 0.00 99.49 0.10 0.04 0.30 99.40 0.17 0.00 0.00 0.00 41 V H H 21.81 15.65 16.66 32.93 91.95 49.81 -64.30 -42.43 0.47 0.00 99.53 0.08 0.03 0.27 99.50 0.12 0.00 0.00 0.00 42 R H H 100.23 10.97 19.69 30.70 91.72 51.37 -63.20 -41.52 0.44 0.00 99.56 0.07 0.03 0.24 99.60 0.06 0.00 0.00 0.00 43 K H H 119.51 2.04 23.32 23.83 91.90 49.41 -64.75 -41.51 0.20 0.00 99.80 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 44 T H H 47.02 8.54 20.86 30.22 91.89 49.02 -65.24 -41.51 0.13 0.00 99.87 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 45 I H H 22.21 17.57 17.50 35.23 91.59 49.90 -63.45 -42.60 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 46 A H H 49.36 4.45 22.30 26.80 91.21 51.06 -62.92 -41.96 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 47 R H H 127.50 2.94 23.53 25.85 91.58 49.85 -64.60 -41.81 0.16 0.00 99.84 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 48 L H H 27.19 16.27 17.85 34.50 91.74 50.24 -64.63 -42.01 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 49 K H H 87.73 10.61 20.91 31.45 91.48 50.79 -63.10 -41.03 0.14 0.00 99.86 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 50 T H H 68.80 2.65 22.99 24.26 91.62 49.78 -63.83 -42.13 0.23 0.00 99.77 0.03 0.01 0.13 99.81 0.03 0.00 0.00 0.00 51 V H H 43.98 7.64 20.41 29.24 91.80 49.21 -64.29 -42.79 0.20 0.00 99.80 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 52 A H H 15.51 14.94 16.36 32.34 91.44 50.09 -63.59 -42.25 0.22 0.00 99.78 0.03 0.01 0.12 99.81 0.04 0.00 0.00 0.00 53 R H H 121.64 3.98 20.31 24.60 91.76 50.14 -63.97 -41.16 0.41 0.00 99.59 0.06 0.02 0.23 99.63 0.06 0.00 0.00 0.00 54 E H H 101.74 2.49 19.49 21.32 92.00 49.95 -64.63 -41.34 0.59 0.00 99.41 0.08 0.04 0.34 99.44 0.11 0.00 0.00 0.00 55 R H H 91.87 6.98 16.27 24.44 92.30 49.09 -65.57 -40.74 1.28 0.00 98.72 0.23 0.10 0.72 98.71 0.22 0.00 0.00 0.00 56 E H H 78.43 6.34 14.46 22.40 92.18 50.79 -64.83 -40.56 3.29 0.01 96.70 0.70 0.30 1.92 96.66 0.43 0.00 0.00 0.00 57 I H H 95.97 2.09 14.36 16.63 92.27 49.52 -65.94 -40.09 7.71 0.04 92.26 2.11 0.95 4.17 91.93 0.80 0.00 0.01 0.02 58 E H H 121.04 1.90 12.95 15.25 92.99 50.83 -68.46 -35.89 16.38 0.06 83.55 4.10 2.00 9.47 83.17 1.20 0.01 0.02 0.04 59 Q H H 108.45 4.02 10.14 15.61 95.30 54.44 -73.33 -25.96 33.54 0.14 66.32 7.69 4.75 20.33 65.61 1.48 0.01 0.04 0.09 60 S C H 83.54 2.12 9.70 13.07 99.44 57.88 -80.32 -5.69 63.45 0.14 36.41 32.19 1.91 26.35 38.26 1.15 0.00 0.05 0.09 61 K C C 149.86 2.16 11.14 14.60 103.44 87.04 -79.15 38.27 99.96 0.01 0.04 99.85 0.05 0.07 0.02 0.00 0.00 0.00 0.00