# 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 117.93 4.72 11.57 17.88 115.91 -163.49 -94.69 133.27 99.78 0.14 0.08 99.65 0.13 0.07 0.04 0.01 0.00 0.07 0.03 1 A C C 69.47 4.92 8.60 15.29 113.04 -118.39 -76.71 143.55 86.51 2.17 11.32 82.39 0.97 3.59 9.85 1.19 0.00 1.10 0.90 2 K C C 142.62 2.47 9.62 13.69 112.44 -137.95 -89.49 135.15 74.67 3.09 22.24 58.93 8.27 5.81 21.81 2.43 0.00 1.55 1.20 3 K H H 142.58 2.89 9.85 14.29 105.96 -141.12 -79.87 54.77 42.14 2.44 55.42 28.36 7.66 7.67 49.23 4.86 0.02 1.52 0.67 4 S H H 65.83 4.04 9.73 15.31 108.34 64.87 -83.69 124.72 36.34 2.15 61.51 24.84 5.76 7.39 54.67 5.34 0.02 1.44 0.55 5 M H H 109.13 3.56 11.10 15.99 97.97 -148.03 -75.74 -26.19 25.45 2.85 71.70 17.50 4.75 5.68 63.67 5.64 0.03 2.10 0.63 6 I H H 88.37 4.44 10.92 16.91 98.84 59.56 -73.30 -38.07 22.49 3.32 74.19 15.48 4.27 5.26 67.37 4.42 0.05 2.47 0.68 7 A H H 59.77 4.13 11.27 16.85 98.56 53.02 -72.10 -35.09 25.77 2.42 71.80 16.97 4.39 6.45 65.46 4.38 0.03 1.74 0.56 8 K H H 138.88 2.60 11.29 15.08 96.59 54.37 -74.48 -26.53 32.76 1.48 65.76 16.94 5.77 11.70 59.11 5.02 0.05 0.88 0.51 9 N C H 111.23 2.81 10.45 14.58 99.97 56.61 -83.33 -4.80 51.72 1.00 47.28 20.36 9.11 22.90 42.27 4.37 0.05 0.47 0.47 10 K C C 148.54 2.26 10.17 13.74 103.56 86.86 -85.12 21.84 71.29 1.09 27.62 31.49 19.30 20.44 23.79 3.91 0.02 0.41 0.64 11 R C C 146.07 3.55 8.78 14.35 117.30 105.54 -91.36 139.21 88.97 0.91 10.12 51.60 32.44 4.70 8.47 1.85 0.00 0.30 0.64 12 P C C 92.22 3.15 10.15 14.92 113.41 -103.98 -68.07 148.41 80.86 0.82 18.32 64.76 7.17 8.97 11.15 7.04 0.00 0.41 0.50 13 A C C 79.05 3.47 9.15 14.49 109.20 -104.99 -70.51 142.11 73.24 1.53 25.23 47.29 11.20 14.39 12.30 13.16 0.00 0.75 0.90 14 K C C 154.07 2.10 9.83 13.39 104.89 -136.17 -82.65 29.60 70.77 2.84 26.40 40.25 15.46 15.16 12.74 13.47 0.02 1.35 1.55 15 H C C 131.07 3.75 8.60 14.07 110.31 63.19 -94.11 109.38 71.46 3.73 24.82 43.70 16.83 11.06 14.02 10.60 0.02 1.74 2.03 16 S C C 78.56 3.24 10.03 15.00 107.86 -156.90 -86.36 97.04 71.36 3.47 25.17 43.34 15.94 12.11 15.69 9.45 0.02 1.78 1.67 17 T C C 90.49 4.48 9.86 15.94 108.58 154.11 -93.11 73.51 65.07 4.84 30.09 38.30 14.55 12.47 16.90 12.91 0.05 2.42 2.40 18 Q C C 114.20 5.00 11.34 17.99 109.01 110.41 -84.66 107.82 61.68 5.01 33.32 32.27 15.09 15.01 16.30 16.49 0.09 2.64 2.11 19 A C C 71.24 4.88 13.83 19.85 100.03 68.14 -83.72 -13.22 61.83 7.17 31.00 32.94 13.69 16.09 13.51 16.91 0.08 4.31 2.46 20 Y C C 106.08 9.40 14.55 24.81 117.09 71.49 -105.02 127.79 69.84 11.99 18.18 48.29 13.69 7.62 8.92 9.64 0.05 7.81 3.97 21 T C C 46.68 12.42 15.78 28.91 109.44 128.83 -101.23 56.99 76.51 16.97 6.52 60.39 10.82 4.70 3.29 3.46 0.02 14.00 3.32 22 R E B 111.65 7.48 20.23 28.53 124.33 98.74 -109.61 143.41 33.26 66.17 0.57 26.71 2.06 0.17 0.45 0.10 0.00 13.49 57.01 23 C C C 11.82 19.34 11.03 30.96 110.61 -110.40 -69.29 131.69 94.19 5.72 0.09 94.42 0.65 0.10 0.04 0.03 0.00 2.51 2.25 24 E C T 126.46 3.67 18.37 23.04 92.88 -146.48 -69.45 -27.69 99.63 0.14 0.23 0.99 7.76 90.92 0.02 0.16 0.00 0.07 0.07 25 R C T 125.33 6.14 16.40 23.65 99.42 43.63 -82.70 -40.85 99.73 0.08 0.19 0.10 2.97 96.77 0.00 0.11 0.00 0.03 0.03 26 C C T 55.95 7.43 14.35 23.31 102.54 19.28 -108.04 -13.47 99.76 0.08 0.16 0.26 3.83 95.73 0.01 0.11 0.00 0.04 0.02 27 G C C 45.99 4.63 15.69 21.67 95.47 -120.99 79.56 5.64 99.22 0.66 0.12 74.99 19.49 4.63 0.03 0.09 0.00 0.24 0.54 28 R C C 104.22 6.82 15.33 23.83 117.60 133.33 -83.82 141.54 95.61 4.33 0.06 77.98 17.61 0.28 0.02 0.04 0.00 1.21 2.86 29 P C B 72.55 7.44 18.19 26.34 112.05 -105.37 -66.93 148.09 49.95 49.31 0.73 19.70 24.99 2.54 0.33 0.42 0.02 17.84 34.16 30 H C S 84.69 11.81 18.65 30.18 111.61 6.95 56.88 102.30 90.10 9.61 0.29 36.96 47.03 6.12 0.02 0.43 0.00 8.34 1.10 31 S C C 22.02 14.01 18.10 32.89 127.60 155.00 -116.51 154.04 74.82 24.98 0.20 64.18 9.34 0.65 0.03 0.21 0.00 24.01 1.57 32 V E E 44.95 12.58 18.77 32.32 120.48 -141.35 -113.44 131.67 9.65 90.31 0.04 8.25 1.24 0.06 0.03 0.03 0.00 82.85 7.54 33 Y E E 44.24 14.36 13.97 29.68 110.38 -151.12 -97.41 116.27 6.53 93.40 0.06 5.83 0.39 0.05 0.04 0.03 0.00 86.20 7.45 34 R C T 151.32 4.55 15.37 21.45 94.31 -159.69 -67.24 -33.12 76.81 0.93 22.26 0.83 2.42 72.55 0.33 23.10 0.00 0.65 0.11 35 K C T 145.88 2.01 16.51 18.53 93.11 50.18 -69.60 -38.52 75.74 0.18 24.08 0.35 1.46 72.97 0.45 24.62 0.00 0.10 0.05 36 F C T 76.20 10.05 13.99 25.21 99.17 27.63 -103.20 -4.52 73.81 0.12 26.07 0.44 1.38 71.24 0.78 26.06 0.00 0.07 0.03 37 H C T 108.32 7.34 19.53 27.98 94.06 -125.70 59.83 37.36 98.40 1.19 0.41 3.83 2.45 92.47 0.07 0.22 0.00 0.88 0.07 38 L E E 17.23 17.58 17.03 35.34 131.75 131.06 -122.27 154.58 7.83 92.12 0.06 5.86 2.03 0.16 0.04 0.03 0.00 81.10 10.79 39 C E E 15.54 14.84 20.44 36.33 118.61 -108.44 -71.56 153.29 22.69 77.25 0.06 23.90 0.36 0.03 0.06 0.02 0.00 69.23 6.40 40 R H H 78.74 14.15 19.53 33.86 91.76 -113.90 -59.06 -38.69 4.74 0.09 95.17 0.51 0.75 3.20 95.15 0.29 0.03 0.04 0.02 41 I H H 74.80 5.87 23.96 30.24 91.63 53.82 -63.41 -41.76 1.29 0.02 98.69 0.11 0.13 1.04 98.48 0.19 0.02 0.01 0.01 42 C H H 18.47 14.05 20.79 35.62 91.64 48.88 -64.58 -42.55 0.32 0.00 99.68 0.04 0.02 0.22 99.54 0.18 0.00 0.00 0.00 43 F H H 12.89 22.38 17.61 39.95 91.56 50.33 -63.78 -43.24 0.07 0.00 99.93 0.01 0.00 0.04 99.91 0.04 0.00 0.00 0.00 44 R H H 99.97 8.89 21.85 30.92 91.54 50.21 -63.40 -42.11 0.09 0.00 99.90 0.01 0.01 0.06 99.90 0.02 0.00 0.00 0.00 45 E H H 86.94 4.01 22.23 26.06 91.63 49.19 -64.56 -42.25 0.10 0.00 99.90 0.00 0.00 0.08 99.89 0.02 0.00 0.00 0.00 46 L H H 22.59 12.57 16.71 30.93 91.84 49.04 -64.55 -41.95 0.19 0.00 99.81 0.01 0.01 0.13 99.80 0.05 0.00 0.00 0.00 47 A H H 21.92 14.45 13.54 28.71 91.81 50.75 -63.40 -41.92 0.47 0.00 99.53 0.03 0.01 0.37 99.41 0.18 0.00 0.00 0.00 48 Y H H 159.89 2.57 16.65 19.86 91.57 50.31 -66.16 -33.02 2.89 0.00 97.10 0.05 0.07 2.96 96.67 0.24 0.00 0.00 0.00 49 K C T 133.62 2.17 15.28 17.58 92.69 51.32 -86.08 -3.39 66.70 0.02 33.28 0.16 0.76 65.86 32.71 0.48 0.00 0.00 0.02 50 G C T 49.69 4.89 13.55 20.05 94.46 -112.39 79.00 13.64 99.17 0.02 0.81 0.88 2.27 96.15 0.61 0.07 0.00 0.01 0.01 51 Q C S 99.68 5.42 15.99 22.78 95.14 123.48 -77.02 -23.44 99.20 0.66 0.14 32.81 64.70 1.70 0.06 0.07 0.00 0.20 0.48 52 I C S 25.86 19.21 10.36 29.15 114.34 38.04 -124.78 103.06 98.50 1.26 0.24 37.42 60.11 0.99 0.06 0.15 0.00 0.43 0.83 53 P C T 85.09 4.23 18.57 23.61 112.25 -136.96 -67.10 139.03 97.99 0.94 1.07 15.93 13.62 68.18 0.13 1.09 0.00 0.57 0.48 54 G C T 47.50 4.45 18.00 23.00 98.55 18.04 85.47 -2.20 95.36 3.08 1.55 14.08 12.68 68.44 0.20 1.57 0.00 2.37 0.67 55 V C C 40.62 17.99 9.53 26.82 115.63 132.19 -84.22 130.52 84.20 14.64 1.17 75.95 6.54 1.33 0.43 0.82 0.00 8.29 6.65 56 K C C 127.52 3.35 17.13 21.77 125.07 -171.60 -122.24 147.25 76.94 20.96 2.10 69.71 4.54 1.69 0.90 1.28 0.00 15.44 6.44 57 K C C 127.56 6.62 12.46 20.66 114.35 -105.63 -72.93 139.76 70.54 18.39 11.07 51.06 11.82 7.61 2.51 8.80 0.01 15.29 2.90 58 A C C 65.58 7.13 8.99 17.41 107.73 -122.64 -81.94 122.31 79.76 7.53 12.71 48.92 16.07 14.27 1.45 12.24 0.00 5.95 1.10 59 S C C 90.36 1.79 10.02 12.80 107.07 -141.37 -95.49 48.50 85.21 5.32 9.47 70.04 3.70 11.78 1.51 7.65 0.00 4.12 1.19 60 W C C 171.86 4.37 10.44 16.35 104.85 79.84 -89.37 23.81 99.58 0.33 0.08 99.37 0.20 0.13 0.03 0.02 0.00 0.21 0.04