# 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 87.12 8.61 11.81 21.48 118.04 -156.97 -92.51 148.53 99.69 0.22 0.09 99.48 0.24 0.07 0.07 0.01 0.00 0.09 0.05 1 S C C 61.22 3.26 13.41 17.54 114.89 -109.75 -76.46 153.28 86.49 1.10 12.42 83.83 0.89 1.64 12.24 0.48 0.00 0.38 0.54 2 T H H 87.32 4.64 10.41 16.65 94.53 -110.95 -63.73 -35.20 10.70 0.09 89.21 3.83 1.88 5.14 86.50 2.55 0.01 0.04 0.04 3 K H H 139.10 2.05 13.32 15.99 92.50 54.51 -65.72 -38.24 5.77 0.04 94.19 1.06 0.66 3.83 91.93 2.48 0.01 0.02 0.01 4 Y H H 125.36 3.56 13.92 18.49 92.89 50.09 -66.62 -39.94 3.69 0.07 96.24 0.91 0.43 2.33 93.81 2.45 0.01 0.05 0.02 5 I H H 71.30 7.14 14.06 22.46 92.56 49.44 -65.08 -42.12 1.41 0.04 98.55 0.44 0.18 0.70 98.31 0.34 0.00 0.02 0.01 6 V H H 73.73 4.79 16.87 22.26 92.02 49.18 -64.73 -42.15 0.54 0.01 99.45 0.18 0.05 0.24 99.41 0.11 0.00 0.00 0.00 7 S H H 54.55 3.61 17.95 22.09 91.90 50.12 -64.68 -41.07 0.52 0.00 99.48 0.10 0.03 0.29 99.44 0.13 0.00 0.00 0.00 8 A H H 46.43 6.13 17.12 24.41 92.04 50.20 -65.22 -41.01 0.65 0.00 99.35 0.10 0.04 0.42 99.26 0.18 0.00 0.00 0.00 9 I H H 76.56 7.32 18.36 26.02 92.11 49.17 -65.21 -41.70 0.80 0.01 99.19 0.10 0.05 0.55 99.11 0.18 0.00 0.00 0.00 10 L H H 88.32 4.41 19.94 24.35 91.70 49.20 -64.89 -40.86 1.37 0.01 98.62 0.14 0.08 1.01 98.53 0.23 0.00 0.00 0.00 11 G H H 33.07 5.10 18.75 24.59 92.17 51.01 -64.96 -40.54 6.83 0.01 93.16 0.38 0.27 5.79 93.20 0.35 0.00 0.00 0.01 12 S H H 46.19 8.26 18.18 26.93 92.24 50.61 -65.71 -40.46 5.27 0.01 94.72 0.38 0.30 4.31 94.60 0.41 0.00 0.00 0.01 13 F H H 96.39 7.44 19.45 27.00 92.56 49.52 -65.59 -40.91 1.49 0.01 98.50 0.26 0.16 0.92 98.34 0.32 0.00 0.00 0.00 14 G H H 31.72 5.33 19.64 25.46 92.12 51.37 -64.13 -42.03 0.95 0.00 99.04 0.16 0.07 0.59 98.96 0.22 0.00 0.00 0.00 15 I H H 80.89 5.78 20.40 26.38 92.00 49.61 -64.97 -41.47 0.59 0.00 99.41 0.09 0.04 0.36 99.35 0.16 0.00 0.00 0.00 16 A H H 36.00 9.50 17.84 28.32 91.88 51.10 -64.04 -41.42 0.55 0.00 99.45 0.07 0.03 0.35 99.38 0.17 0.00 0.00 0.00 17 W H H 115.42 6.58 19.90 26.87 91.77 50.85 -64.39 -41.64 0.61 0.00 99.39 0.05 0.03 0.45 99.27 0.20 0.00 0.00 0.00 18 V H H 67.07 5.11 19.86 25.37 91.65 49.84 -64.18 -42.32 0.54 0.00 99.46 0.05 0.03 0.39 99.33 0.20 0.00 0.00 0.00 19 C H H 48.78 7.57 18.22 26.63 91.79 49.27 -64.78 -41.19 0.88 0.01 99.11 0.09 0.06 0.65 98.89 0.30 0.00 0.00 0.00 20 D H H 55.84 8.76 17.16 26.83 92.27 49.95 -65.42 -40.86 1.54 0.02 98.44 0.14 0.10 1.24 98.08 0.41 0.02 0.01 0.00 21 Y H H 109.64 5.20 17.76 23.58 93.42 46.36 -67.15 -41.48 3.33 0.03 96.64 0.17 0.20 3.02 95.96 0.59 0.04 0.01 0.01 22 Y H H 111.54 4.57 17.32 22.49 95.09 42.71 -71.47 -40.63 10.53 0.12 89.35 0.46 0.83 9.88 87.50 1.00 0.21 0.05 0.07 23 V H H 57.83 7.52 14.93 23.77 96.63 40.39 -76.94 -39.09 29.51 0.96 69.53 2.19 4.34 23.73 65.72 1.88 1.11 0.35 0.68 24 S H H 45.30 7.71 13.35 22.49 95.28 46.58 -72.57 -37.29 46.63 2.23 51.14 6.42 9.31 31.56 44.77 4.38 1.18 0.96 1.43 25 E C T 118.05 3.43 14.66 18.87 96.24 45.75 -77.77 -20.78 63.81 1.31 34.88 6.62 10.49 45.68 29.44 6.06 0.21 0.63 0.86 26 K C T 128.83 3.85 13.82 18.69 98.95 43.85 -87.89 0.73 69.49 2.06 28.44 14.40 16.49 39.10 21.18 6.56 0.14 0.92 1.21 27 K C C 110.89 7.08 10.98 19.35 109.28 95.25 -83.65 107.28 70.79 7.89 21.32 33.58 20.76 17.61 13.05 7.19 0.16 3.45 4.20 28 I C T 116.10 4.09 12.15 17.61 99.15 -136.60 -79.93 -24.44 72.92 8.02 19.06 19.27 22.20 32.62 9.05 8.79 0.29 4.35 3.43 29 F C T 135.38 4.22 11.83 17.18 109.24 32.45 -107.87 46.11 72.68 11.49 15.83 16.59 21.23 35.57 6.99 7.92 0.38 6.17 5.15 30 G C C 49.90 3.36 13.02 17.73 115.78 -86.87 99.84 128.03 85.75 6.62 7.64 34.86 22.62 29.32 2.65 4.49 0.02 3.86 2.17 31 G C C 44.47 4.53 13.52 19.46 122.58 41.85 125.41 -173.19 89.16 9.10 1.74 45.29 34.07 10.35 0.38 1.49 0.00 6.15 2.26 32 S C C 76.39 4.29 16.07 21.61 120.50 -64.25 -102.56 144.67 83.78 15.34 0.88 59.65 21.49 2.65 0.30 0.68 0.00 8.80 6.44 33 T C C 57.78 12.72 12.64 25.76 119.22 -130.61 -99.60 136.96 90.35 9.20 0.45 77.35 12.42 0.65 0.23 0.23 0.00 5.82 3.31 34 P C C 49.58 10.71 14.76 26.63 113.72 -106.90 -67.06 150.68 89.78 4.32 5.90 75.65 8.63 5.40 2.56 3.21 0.00 2.81 1.73 35 G C C 35.94 7.52 16.77 25.08 107.89 -112.55 -73.87 143.47 77.11 3.62 19.26 54.22 11.85 10.49 9.15 10.25 0.01 1.70 2.33 36 T H G 50.30 10.91 14.36 25.82 101.61 -105.77 -77.24 -20.96 47.63 4.63 47.74 23.92 10.36 14.52 16.56 29.81 0.10 2.13 2.59 37 I H G 76.45 11.06 12.20 23.67 95.25 63.89 -73.81 -20.79 48.08 1.00 50.92 6.48 8.13 32.36 17.01 34.73 0.09 0.53 0.67 38 T C T 99.13 2.57 15.30 18.21 97.37 54.33 -88.57 -9.48 51.07 0.83 48.10 5.87 9.10 35.37 14.16 34.39 0.07 0.42 0.62 39 N C S 73.13 6.35 11.11 19.38 112.04 81.88 -95.76 116.78 88.22 2.31 9.46 41.06 42.88 4.41 5.83 3.08 0.00 0.66 2.07 40 K H H 143.38 3.15 12.35 17.22 93.91 -158.89 -64.91 -31.92 26.36 0.21 73.43 4.12 6.14 16.92 68.48 4.03 0.09 0.08 0.14 41 E H H 130.18 1.77 15.37 16.96 93.28 57.17 -66.47 -35.67 18.92 0.08 81.00 1.80 1.92 15.20 76.84 4.10 0.05 0.04 0.05 42 W H H 75.72 9.53 12.69 23.62 93.44 50.69 -67.27 -38.71 8.72 0.05 91.23 1.29 0.85 6.57 87.54 3.70 0.02 0.02 0.02 43 G H H 20.98 9.18 13.74 24.63 92.55 53.56 -62.46 -42.24 2.97 0.03 97.01 1.06 0.38 1.52 95.66 1.36 0.00 0.01 0.01 44 E H H 111.80 1.94 19.15 19.99 92.54 49.93 -65.04 -41.05 1.47 0.01 98.52 0.41 0.17 0.84 97.92 0.65 0.00 0.01 0.00 45 E H H 86.22 3.54 18.16 22.08 92.05 49.91 -64.92 -41.13 1.06 0.01 98.93 0.28 0.11 0.59 98.56 0.46 0.00 0.00 0.00 46 T H H 26.16 12.73 13.79 27.81 92.19 50.23 -64.81 -41.52 1.18 0.01 98.81 0.30 0.11 0.67 98.49 0.42 0.00 0.00 0.00 47 D H H 67.44 6.27 16.58 24.08 91.64 51.58 -63.96 -40.16 1.98 0.01 98.01 0.33 0.15 1.31 97.59 0.61 0.00 0.01 0.00 48 K H H 127.78 1.57 18.22 18.56 92.00 50.56 -65.73 -39.86 4.05 0.02 95.93 0.46 0.30 3.09 94.90 1.22 0.01 0.01 0.01 49 K H H 99.54 6.11 15.57 22.79 92.27 50.20 -68.02 -35.42 10.06 0.04 89.90 0.95 0.73 8.17 88.27 1.81 0.02 0.02 0.02 50 F H H 69.73 12.53 11.56 24.48 93.94 52.33 -74.34 -23.73 28.48 0.48 71.04 5.84 3.56 19.57 67.17 3.28 0.09 0.22 0.26 51 Q C H 127.39 2.77 15.11 18.74 95.15 65.38 -74.67 -17.54 52.45 1.76 45.79 15.58 8.30 29.82 40.82 3.70 0.11 0.82 0.85 52 A C S 71.88 3.20 13.07 17.29 102.09 72.37 -82.01 -10.03 70.66 2.28 27.06 22.62 25.05 23.17 22.84 4.11 0.07 0.95 1.18 53 W C C 135.07 7.02 10.37 18.91 116.52 54.80 -96.61 131.82 93.30 2.53 4.17 44.84 44.07 4.80 2.56 1.35 0.00 1.11 1.27 54 P C C 82.65 4.97 12.13 18.66 112.48 -110.37 -69.03 146.05 90.55 3.21 6.24 72.85 8.87 8.88 2.27 3.80 0.00 2.05 1.27 55 R C C 161.30 4.56 10.21 16.61 108.45 -133.01 -82.86 104.09 80.81 11.32 7.87 48.80 17.34 15.06 2.34 5.51 0.01 6.82 4.11 56 T C C 92.88 3.25 11.10 16.09 120.70 151.15 -111.81 145.15 75.30 18.81 5.89 42.66 19.02 14.62 1.80 4.12 0.03 10.90 6.85 57 A C C 85.63 3.24 10.53 15.52 111.18 -121.96 -85.61 126.34 84.80 12.60 2.60 44.45 29.64 11.37 0.61 2.19 0.00 8.51 3.23 58 G C S 41.47 4.05 11.40 17.09 130.22 81.89 -141.09 174.65 92.40 7.28 0.32 39.19 51.64 2.32 0.06 0.28 0.00 4.87 1.63 59 P C C 97.83 2.56 14.36 17.71 116.26 -49.85 -70.97 150.33 96.24 3.49 0.27 46.50 46.13 3.84 0.04 0.27 0.00 2.71 0.51 60 P C C 84.87 6.29 12.79 20.53 113.51 -88.51 -69.92 145.12 88.89 10.64 0.47 66.74 18.30 3.36 0.08 0.48 0.00 9.99 1.05 61 V E E 65.41 10.73 10.42 22.24 118.25 -138.22 -96.58 133.16 30.74 68.65 0.61 26.59 2.82 0.54 0.34 0.37 0.00 62.64 6.68 62 V E E 86.89 5.07 14.82 21.42 118.71 -153.62 -106.61 132.17 22.28 77.26 0.46 19.82 2.09 0.46 0.22 0.27 0.00 74.93 2.22 63 V E E 77.48 8.67 10.90 20.88 116.63 -148.65 -98.28 132.69 31.18 68.23 0.59 25.58 5.00 0.93 0.29 0.39 0.00 63.92 3.88 64 N C C 75.36 5.71 10.83 18.44 111.72 -143.26 -102.91 112.27 68.91 30.83 0.26 60.84 5.89 0.89 0.08 0.21 0.00 30.19 1.92 65 P C T 91.34 4.34 9.76 16.09 96.22 -158.97 -68.04 -16.26 88.92 9.40 1.68 22.74 29.27 37.01 0.25 1.44 0.00 8.56 0.73 66 I C T 133.89 1.49 9.64 11.88 101.78 58.39 -89.16 -9.27 88.99 8.65 2.36 19.76 31.98 37.78 0.37 1.95 0.00 6.80 1.35 67 T C C 88.27 2.88 9.09 13.42 114.60 54.55 -106.15 130.94 82.58 13.81 3.61 33.72 28.82 20.83 0.67 3.06 0.01 10.45 2.45 68 R C T 174.18 2.43 9.95 13.67 100.69 -127.81 -73.38 16.49 81.09 12.14 6.77 29.08 22.73 30.16 1.58 5.08 0.01 9.73 1.63 69 Q C C 119.69 3.98 11.16 16.56 105.61 87.51 -92.10 43.23 74.77 18.57 6.66 29.70 19.84 26.23 1.55 4.92 0.01 16.27 1.47 70 N C E 86.99 6.26 11.73 19.41 114.58 101.86 -99.07 128.39 55.59 39.37 5.03 31.58 14.75 10.79 1.80 3.33 0.02 36.03 1.72 71 F E E 88.96 9.92 11.15 22.23 122.39 -171.00 -111.15 137.27 25.53 72.33 2.14 20.83 3.55 1.50 1.39 0.97 0.00 70.08 1.67 72 V E E 77.33 6.33 14.76 22.67 120.74 -159.99 -113.40 132.58 14.51 84.43 1.06 12.70 1.39 0.49 0.86 0.41 0.00 81.97 2.18 73 V E E 71.45 9.83 11.13 22.08 115.15 -148.73 -97.71 126.95 23.25 75.25 1.50 20.25 2.17 0.80 1.14 0.61 0.00 72.36 2.66 74 K C C 134.13 3.88 12.63 17.86 109.08 -167.06 -99.82 80.21 69.80 27.38 2.82 47.20 16.70 5.49 1.11 1.69 0.00 26.42 1.38 75 S C C 68.60 4.70 9.82 16.27 119.87 35.46 -110.07 145.67 82.83 12.79 4.38 44.42 27.37 11.43 1.15 3.23 0.00 10.93 1.46 76 R C C 166.01 3.20 8.74 13.92 110.74 -145.80 -95.93 113.81 89.27 6.75 3.98 53.34 25.68 10.24 0.91 3.21 0.00 5.24 1.37 77 S C C 82.27 2.56 8.21 12.60 113.10 -153.16 -87.04 131.20 93.85 3.58 2.57 85.18 2.99 5.94 0.69 1.63 0.00 2.54 1.03 78 E C C 151.48 1.85 10.52 13.68 106.94 -125.31 -81.85 98.78 99.88 0.09 0.03 99.68 0.15 0.10 0.01 0.00 0.00 0.04 0.01