# 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 129.01 3.23 9.74 14.71 115.41 -154.33 -94.17 135.62 99.83 0.13 0.04 99.69 0.15 0.06 0.01 0.00 0.00 0.06 0.03 1 S C C 82.26 2.51 7.90 12.14 113.63 -124.01 -81.68 141.80 87.78 1.39 10.83 82.73 1.15 6.20 4.52 3.96 0.00 0.72 0.72 2 S C C 91.59 1.50 7.83 10.64 106.75 -129.72 -83.55 69.53 79.20 2.14 18.66 41.08 18.17 20.60 7.56 10.41 0.01 1.04 1.14 3 H C C 152.67 1.50 8.05 10.83 108.35 61.67 -92.05 95.01 72.78 3.09 24.13 40.49 16.52 16.18 13.14 10.56 0.03 1.52 1.57 4 K C C 118.35 4.50 7.81 14.26 114.78 93.15 -90.21 135.95 77.98 2.93 19.09 55.74 17.55 4.56 15.57 3.75 0.01 1.25 1.57 5 T C C 73.85 2.73 10.20 14.32 117.12 -132.22 -83.79 159.13 79.99 3.11 16.90 71.13 5.98 2.18 16.41 1.46 0.00 1.20 1.64 6 F H H 151.94 1.50 10.36 12.58 92.79 -111.39 -60.53 -38.32 3.33 0.03 96.65 1.40 0.67 1.15 96.41 0.35 0.00 0.01 0.01 7 R H H 152.93 1.25 12.04 13.24 92.29 52.14 -64.84 -40.33 1.59 0.01 98.40 0.43 0.21 0.83 98.18 0.34 0.00 0.00 0.00 8 I H H 83.45 2.98 11.71 16.11 92.17 48.11 -65.97 -41.12 0.74 0.01 99.26 0.20 0.08 0.39 99.04 0.29 0.00 0.00 0.00 9 K H H 111.60 2.60 13.14 16.65 91.84 50.79 -64.41 -40.75 0.42 0.00 99.58 0.11 0.04 0.21 99.50 0.14 0.00 0.00 0.00 10 R H H 138.96 1.47 14.68 15.60 91.83 49.84 -64.66 -41.00 0.52 0.00 99.48 0.09 0.04 0.31 99.46 0.10 0.00 0.00 0.00 11 F H H 107.22 2.26 14.19 16.81 91.94 49.82 -64.46 -42.14 0.47 0.00 99.53 0.08 0.04 0.27 99.52 0.08 0.00 0.00 0.00 12 L H H 81.75 3.01 13.80 17.79 92.07 50.06 -64.21 -41.17 0.45 0.00 99.55 0.07 0.03 0.27 99.50 0.12 0.00 0.00 0.00 13 A H H 55.54 2.06 14.10 16.52 91.50 50.84 -63.69 -41.01 0.86 0.00 99.13 0.11 0.05 0.58 99.07 0.19 0.00 0.00 0.00 14 K H H 120.90 1.53 14.68 15.69 92.31 50.05 -65.29 -40.04 1.38 0.00 98.61 0.17 0.09 0.98 98.44 0.32 0.00 0.00 0.00 15 K H H 111.08 2.61 13.30 16.68 92.44 51.30 -65.53 -39.81 2.16 0.01 97.83 0.28 0.16 1.52 97.05 0.97 0.00 0.00 0.00 16 Q H H 107.47 2.31 12.96 16.01 92.20 51.85 -65.22 -37.38 6.34 0.03 93.64 0.70 0.47 4.81 91.98 2.01 0.01 0.01 0.01 17 K H H 137.43 1.66 12.73 14.68 92.60 53.48 -69.30 -28.88 19.64 0.13 80.22 2.92 1.83 14.59 77.27 3.23 0.04 0.06 0.07 18 Q H H 119.84 2.49 11.39 15.01 94.61 60.31 -75.12 -19.05 47.15 0.48 52.37 8.63 6.27 32.35 48.84 3.35 0.07 0.18 0.31 19 N C T 112.01 2.76 10.81 14.75 99.96 56.45 -89.96 6.36 74.99 0.93 24.08 24.39 11.92 39.11 20.18 3.45 0.02 0.36 0.57 20 R C C 142.46 3.04 10.26 15.22 117.94 114.36 -95.61 136.23 97.15 2.33 0.53 58.54 37.98 1.01 0.31 0.18 0.00 0.98 1.00 21 P C C 101.57 2.46 11.56 15.48 113.86 -105.17 -67.21 146.15 92.20 6.98 0.82 86.60 4.56 0.71 0.54 0.21 0.00 2.28 5.10 22 I C C 94.17 6.76 8.28 16.79 114.68 -111.35 -82.34 139.81 94.09 2.03 3.88 84.27 8.32 1.30 3.58 0.51 0.00 0.77 1.25 23 P C C 74.61 3.94 11.35 17.00 110.65 -105.36 -65.49 140.47 84.89 1.27 13.83 78.47 2.95 3.09 13.12 1.22 0.00 0.54 0.62 24 Q H H 124.34 2.69 11.02 15.25 93.75 -137.17 -65.31 -32.84 21.98 1.47 76.54 12.43 4.99 7.08 68.60 5.47 0.05 0.92 0.45 25 W H H 161.54 1.82 11.73 14.12 93.30 60.41 -66.11 -35.18 9.64 2.79 87.57 4.29 1.77 4.59 78.21 7.98 0.07 2.82 0.27 26 I H H 81.07 4.06 10.65 16.51 93.86 53.82 -67.25 -38.92 4.92 3.13 91.96 2.20 0.82 2.27 82.19 8.78 0.03 3.57 0.14 27 W H H 129.87 4.47 10.25 16.49 93.83 53.50 -68.15 -36.15 6.01 3.71 90.28 2.59 0.95 2.82 81.48 7.84 0.05 4.07 0.19 28 M H H 115.17 2.40 10.74 14.27 95.90 52.82 -74.12 -29.46 15.50 6.76 77.74 6.65 2.49 7.18 70.19 6.15 0.18 6.40 0.76 29 K H H 134.86 2.26 9.88 13.32 100.80 61.80 -80.18 -12.63 32.71 8.49 58.80 12.80 5.74 15.22 53.39 4.18 0.35 6.54 1.78 30 T C H 84.16 3.46 8.64 13.64 104.22 55.26 -96.18 20.76 52.81 7.77 39.41 15.90 10.82 26.47 35.50 3.56 0.62 4.72 2.41 31 G C T 61.75 1.01 10.77 11.91 100.78 -95.43 69.42 0.24 89.42 0.90 9.69 15.36 20.15 54.01 6.67 2.89 0.00 0.47 0.45 32 N C T 121.15 2.47 9.08 12.99 100.96 -18.12 -85.14 20.42 93.25 1.05 5.71 21.33 30.53 41.76 2.65 2.73 0.00 0.58 0.42 33 K C C 149.00 1.52 10.43 12.95 111.19 123.01 -93.91 118.36 80.07 14.82 5.11 44.81 27.48 8.40 3.02 2.40 0.01 9.95 3.92 34 I C C 102.33 5.55 8.06 15.45 114.34 -124.74 -91.22 127.95 76.80 19.11 4.09 63.81 8.72 3.16 2.88 1.67 0.00 14.43 5.33 35 R C C 156.50 2.87 11.24 15.67 111.60 -172.25 -103.17 74.12 82.76 13.32 3.92 66.90 12.01 3.37 3.00 1.36 0.00 10.79 2.59 36 Y C C 147.44 4.04 9.84 15.73 121.61 10.18 -114.40 136.73 82.95 11.91 5.14 61.66 16.75 4.09 3.91 1.71 0.00 7.96 3.91 37 N C C 77.34 5.53 9.27 16.80 114.34 -165.82 -111.33 118.53 91.63 3.52 4.85 82.87 6.29 2.23 3.74 1.26 0.00 2.21 1.39 38 S C T 81.12 2.90 9.90 14.53 94.14 -153.71 -69.37 -20.42 61.70 1.09 37.21 19.82 11.70 29.80 21.87 15.61 0.02 0.57 0.61 39 K C T 153.84 1.26 11.10 12.75 94.61 64.72 -76.93 -16.19 58.11 1.13 40.76 15.58 12.40 30.05 25.46 15.23 0.06 0.53 0.69 40 R C C 134.57 4.16 9.08 14.94 100.56 70.42 -84.62 12.02 54.10 1.50 44.40 32.04 11.57 10.74 29.47 14.69 0.02 0.72 0.77 41 R C H 139.49 3.98 9.83 15.51 100.34 107.06 -79.44 -19.94 50.67 1.26 48.07 34.34 8.02 8.86 38.24 9.34 0.01 0.65 0.55 42 H H H 125.61 2.73 10.33 14.34 102.81 66.83 -84.54 -3.25 46.00 1.46 52.54 29.45 7.23 10.18 40.52 11.21 0.02 0.79 0.60 43 W H H 150.74 3.74 9.14 14.55 102.94 62.22 -77.16 -10.58 38.64 1.21 60.15 20.52 7.06 11.89 44.48 14.88 0.02 0.67 0.47 44 R H H 147.58 2.65 9.68 13.80 103.11 61.21 -78.70 -18.54 38.06 1.25 60.70 19.94 7.14 11.90 47.13 12.69 0.04 0.68 0.49 45 R H H 152.00 2.81 9.28 13.53 101.20 58.81 -77.18 -25.30 40.45 1.23 58.32 21.25 9.04 11.23 46.42 10.88 0.04 0.61 0.52 46 T H H 92.02 2.66 8.62 12.75 102.52 71.15 -83.91 -20.85 43.37 1.16 55.47 22.41 8.76 12.76 43.29 11.65 0.04 0.58 0.51 47 K C H 156.87 1.37 8.86 11.17 98.86 62.52 -76.82 -15.22 49.81 1.36 48.82 21.40 10.13 19.03 35.95 12.09 0.06 0.67 0.66 48 L C T 118.03 2.59 7.83 11.90 99.63 64.07 -82.85 -3.12 63.45 1.47 35.08 19.20 12.15 32.81 24.20 10.09 0.06 0.70 0.79 49 G C C 59.28 1.47 10.40 12.74 100.39 -105.26 75.10 9.15 90.41 0.83 8.77 53.31 3.64 34.68 5.26 2.26 0.00 0.45 0.41 50 L C C 101.50 5.28 9.64 16.53 104.19 125.99 -82.90 19.05 99.80 0.14 0.06 99.56 0.18 0.12 0.03 0.01 0.00 0.07 0.03