# 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 122.74 3.74 9.94 15.43 116.62 -153.68 -93.55 137.17 99.85 0.10 0.05 99.72 0.14 0.05 0.02 0.00 0.00 0.04 0.02 1 A C C 79.38 2.67 8.38 12.74 112.59 -111.59 -74.64 145.40 80.70 1.78 17.52 75.59 1.28 6.65 8.03 6.63 0.00 0.98 0.84 2 A C C 90.92 1.63 7.66 10.75 104.24 -117.88 -78.73 13.21 71.63 2.30 26.07 34.82 16.66 20.75 10.87 14.58 0.02 1.14 1.18 3 Q C C 145.46 1.26 8.47 10.75 108.36 34.51 -91.77 93.50 66.78 3.48 29.74 36.09 14.58 16.44 14.92 14.49 0.04 1.79 1.63 4 K C C 116.20 4.85 7.45 14.23 115.67 106.65 -92.96 139.42 76.65 2.98 20.37 52.70 19.28 4.70 16.49 4.08 0.01 1.26 1.48 5 S C C 59.72 2.45 10.37 14.11 118.67 -122.45 -79.36 159.78 80.29 3.05 16.67 71.18 6.14 2.05 16.70 1.22 0.00 1.11 1.59 6 F H H 157.72 1.36 10.11 12.21 92.62 -109.41 -60.59 -37.25 2.94 0.03 97.04 1.20 0.55 1.09 96.80 0.34 0.00 0.01 0.01 7 R H H 156.63 1.09 12.03 12.85 91.97 52.10 -64.69 -40.56 1.47 0.01 98.51 0.44 0.19 0.75 98.30 0.31 0.00 0.00 0.00 8 I H H 79.98 3.04 11.66 16.21 92.12 48.15 -65.49 -41.24 0.71 0.01 99.28 0.22 0.08 0.35 99.08 0.26 0.00 0.00 0.00 9 K H H 109.00 2.88 13.01 16.99 91.87 51.00 -64.15 -41.09 0.37 0.00 99.63 0.11 0.03 0.17 99.58 0.11 0.00 0.00 0.00 10 Q H H 104.06 1.62 14.57 15.82 91.85 50.06 -64.48 -40.98 0.41 0.00 99.59 0.08 0.03 0.23 99.59 0.07 0.00 0.00 0.00 11 K H H 116.54 1.89 14.71 16.53 91.96 49.58 -64.80 -41.21 0.50 0.00 99.49 0.08 0.03 0.30 99.51 0.08 0.00 0.00 0.00 12 M H H 92.15 2.86 13.71 17.50 92.20 49.77 -64.66 -40.89 0.63 0.00 99.36 0.11 0.04 0.38 99.33 0.13 0.00 0.00 0.00 13 A H H 54.48 2.19 13.90 16.60 91.56 50.94 -63.71 -41.29 1.17 0.00 98.83 0.19 0.08 0.75 98.75 0.23 0.00 0.00 0.00 14 K H H 123.19 1.54 14.23 15.43 92.31 50.17 -65.28 -39.59 2.07 0.01 97.93 0.29 0.16 1.41 97.67 0.46 0.00 0.00 0.00 15 A H H 56.68 2.92 12.17 16.33 92.37 52.14 -65.43 -38.98 4.46 0.02 95.52 0.58 0.35 3.22 94.60 1.23 0.01 0.01 0.01 16 K H H 138.46 1.61 12.75 14.65 92.55 53.06 -67.62 -31.30 15.14 0.07 84.79 1.52 1.15 12.12 83.23 1.90 0.03 0.03 0.04 17 K H H 137.43 1.88 11.46 14.03 94.82 54.55 -76.29 -18.35 37.88 0.39 61.73 7.49 3.62 26.85 58.47 3.14 0.04 0.16 0.23 18 Q C T 121.07 2.87 9.71 14.23 98.00 78.14 -73.76 -17.54 64.71 0.89 34.40 11.92 8.36 43.49 31.66 3.63 0.05 0.36 0.53 19 N C T 129.45 1.25 10.55 12.29 99.64 50.48 -90.30 11.42 83.49 0.85 15.66 22.84 12.97 48.16 11.65 3.52 0.01 0.38 0.47 20 R C C 144.33 2.76 9.00 13.78 119.37 119.05 -93.60 139.40 97.61 2.03 0.36 53.95 43.26 0.80 0.19 0.13 0.00 0.82 0.85 21 P C C 108.55 1.67 10.99 13.85 114.44 -104.13 -67.36 146.57 90.97 8.53 0.51 85.28 4.64 0.69 0.27 0.19 0.00 3.03 5.89 22 L C C 101.46 6.11 7.65 15.58 115.40 -108.55 -80.24 140.52 94.97 3.57 1.47 84.41 9.17 1.34 0.95 0.49 0.00 1.87 1.76 23 P C C 78.18 4.10 10.23 16.11 112.77 -105.04 -65.65 145.65 88.31 3.46 8.24 74.84 7.72 5.94 5.42 2.66 0.00 2.27 1.15 24 Q C H 140.82 1.96 10.68 14.01 95.65 -131.78 -71.61 -23.76 52.84 12.28 34.89 19.61 20.10 14.84 22.77 10.34 0.32 9.94 2.08 25 W H E 170.84 2.79 10.81 14.69 97.62 66.69 -77.15 -18.55 30.49 32.55 36.97 13.31 9.65 10.52 24.01 11.18 0.76 28.45 2.12 26 I E E 85.58 6.29 9.20 17.09 104.86 64.62 -89.74 26.30 12.49 55.07 32.43 8.31 2.65 2.99 25.49 6.42 0.07 53.01 1.06 27 R E E 130.10 4.61 10.66 16.93 108.75 86.79 -89.46 100.83 8.88 72.88 18.23 6.09 1.41 1.54 16.43 2.80 0.01 71.01 0.70 28 L E E 97.41 4.11 9.44 15.34 115.51 -48.01 -99.35 128.24 8.22 84.96 6.82 6.12 1.12 1.06 6.75 1.22 0.00 82.85 0.87 29 R E E 150.45 3.35 8.67 13.80 113.06 -158.96 -99.50 129.13 22.69 72.68 4.63 16.74 3.58 2.39 3.43 1.36 0.00 71.66 0.84 30 T E E 95.98 2.01 8.61 11.78 119.22 15.70 -122.22 133.37 44.85 48.99 6.17 12.67 12.13 23.01 3.13 2.68 0.04 44.69 1.65 31 N C T 143.82 0.48 10.15 9.74 98.45 -37.67 38.01 -0.70 97.25 0.60 2.15 5.29 15.88 76.39 0.57 1.27 0.00 0.43 0.15 32 N C T 132.64 1.39 9.01 11.35 100.76 -22.88 -83.96 13.48 97.55 1.26 1.19 7.68 23.37 66.67 0.14 0.94 0.00 1.02 0.17 33 T E E 83.55 2.43 9.88 14.02 121.16 107.37 -106.77 139.18 25.60 74.22 0.19 21.38 3.81 0.50 0.06 0.12 0.00 72.57 1.55 34 I E E 93.03 6.94 8.13 16.88 118.44 -150.33 -106.08 131.24 9.15 90.78 0.08 8.68 0.44 0.08 0.04 0.03 0.00 89.85 0.88 35 R E E 136.99 3.32 13.13 18.23 122.96 -170.16 -117.67 140.91 13.03 86.82 0.15 11.83 0.96 0.19 0.07 0.06 0.00 86.29 0.59 36 Y E E 124.13 7.85 9.87 19.26 119.22 -146.11 -105.73 135.99 33.16 65.92 0.92 29.32 2.93 0.65 0.54 0.40 0.00 64.20 1.95 37 N C C 70.69 5.27 11.36 18.66 113.03 -156.98 -105.34 116.58 86.07 10.60 3.33 79.39 5.01 1.54 1.96 1.29 0.00 9.76 1.06 38 A C T 73.65 4.31 10.21 16.48 94.25 -159.55 -67.46 -24.29 55.13 1.66 43.21 18.06 11.26 25.46 19.99 23.54 0.04 0.94 0.70 39 K C T 157.01 1.07 12.33 13.35 93.53 64.41 -72.50 -20.47 54.02 1.39 44.59 14.52 11.50 27.46 21.92 23.05 0.08 0.70 0.77 40 R C C 128.37 4.70 9.92 16.22 100.67 62.59 -87.23 7.03 50.66 1.70 47.64 27.61 10.81 12.39 24.96 22.56 0.03 0.85 0.80 41 R C H 126.16 5.92 10.05 17.59 99.85 102.86 -72.22 -23.41 52.21 1.35 46.45 33.64 9.13 10.00 35.23 10.70 0.01 0.67 0.62 42 N C H 98.48 3.05 11.73 15.93 100.83 61.57 -82.80 3.52 50.12 1.52 48.37 31.55 7.58 11.70 34.85 12.84 0.01 0.80 0.66 43 W H H 146.39 3.97 10.17 15.76 98.55 79.67 -72.39 -29.48 40.79 1.37 57.84 20.78 7.60 13.22 39.83 17.25 0.03 0.74 0.55 44 R H H 140.60 3.26 10.34 15.08 98.32 65.11 -77.43 -19.67 40.99 1.63 57.38 22.62 7.07 12.26 41.72 14.76 0.03 0.89 0.65 45 R H H 144.36 3.25 9.80 14.58 98.09 72.23 -75.77 -27.17 41.93 1.47 56.60 23.36 8.64 10.94 42.89 12.78 0.03 0.74 0.61 46 T H H 89.39 2.82 9.16 13.44 100.68 68.75 -81.56 -21.37 45.15 1.36 53.49 23.36 8.67 13.58 40.17 12.90 0.04 0.70 0.58 47 K C H 151.60 1.65 9.32 12.03 98.27 67.91 -76.96 -16.39 51.38 1.75 46.86 23.40 10.34 18.48 33.74 12.28 0.06 0.90 0.81 48 M C C 124.07 2.98 7.84 12.43 101.10 61.68 -85.03 -2.59 63.82 2.18 34.00 27.74 13.47 23.65 22.82 10.15 0.04 1.07 1.06 49 N C C 130.51 1.43 9.96 12.49 101.33 -124.20 30.49 38.48 88.85 1.44 9.72 64.98 3.61 21.28 5.76 2.84 0.00 0.83 0.70 50 I C C 105.37 5.05 9.46 16.15 106.14 143.76 -88.29 50.85 99.84 0.12 0.04 99.68 0.14 0.08 0.02 0.00 0.00 0.06 0.02