# 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 A C C 77.67 3.36 10.87 15.83 113.27 -116.61 -77.39 144.70 99.83 0.08 0.09 99.66 0.13 0.10 0.04 0.01 0.00 0.03 0.02 1 A C C 85.71 2.35 8.10 12.21 110.94 -131.14 -86.42 120.64 80.69 1.49 17.81 68.88 2.76 9.12 15.11 2.56 0.00 0.73 0.83 2 H C C 152.88 1.52 7.67 10.63 113.04 -141.60 -92.34 124.83 72.30 3.25 24.45 47.15 14.25 10.40 21.07 4.03 0.01 1.60 1.48 3 K C C 130.14 3.54 7.66 13.15 114.79 -153.31 -92.61 136.83 69.84 2.70 27.47 51.40 12.60 5.17 25.49 2.97 0.01 1.28 1.08 4 S C C 61.66 2.51 9.56 13.48 116.96 -128.33 -81.93 159.36 66.92 2.17 30.91 56.97 6.12 2.93 30.73 1.48 0.00 0.88 0.88 5 F H H 159.29 1.18 9.76 11.53 92.99 -110.75 -61.49 -37.40 3.86 0.04 96.10 1.81 0.72 1.25 95.80 0.40 0.00 0.02 0.01 6 R H H 157.32 1.04 11.53 12.34 92.04 51.92 -65.12 -40.16 1.84 0.02 98.14 0.66 0.26 0.87 97.83 0.37 0.00 0.01 0.00 7 I H H 84.35 2.70 11.41 15.44 92.28 48.20 -65.72 -41.38 0.98 0.01 99.01 0.34 0.12 0.47 98.77 0.29 0.00 0.01 0.00 8 K H H 113.29 2.43 12.84 16.14 91.81 50.85 -64.33 -40.74 0.54 0.00 99.45 0.17 0.06 0.25 99.38 0.14 0.00 0.00 0.00 9 Q H H 104.26 1.50 14.24 15.31 91.89 50.08 -64.58 -40.90 0.55 0.00 99.45 0.13 0.04 0.29 99.44 0.09 0.00 0.00 0.00 10 K H H 112.73 1.87 14.32 16.15 91.97 49.84 -64.68 -41.34 0.57 0.00 99.43 0.12 0.04 0.32 99.43 0.09 0.00 0.00 0.00 11 L H H 83.96 2.68 13.37 16.91 92.07 50.06 -64.61 -40.94 0.51 0.00 99.49 0.10 0.04 0.29 99.47 0.11 0.00 0.00 0.00 12 A H H 56.53 1.99 13.66 16.02 91.58 51.01 -63.81 -40.79 0.80 0.00 99.19 0.13 0.05 0.49 99.17 0.15 0.00 0.00 0.00 13 K H H 122.62 1.46 14.10 15.11 92.26 50.10 -65.60 -39.74 1.26 0.00 98.73 0.18 0.08 0.83 98.64 0.27 0.00 0.00 0.00 14 K H H 115.81 2.13 12.89 15.57 92.41 51.35 -65.61 -39.42 2.30 0.01 97.69 0.32 0.17 1.56 97.24 0.70 0.00 0.00 0.00 15 L H H 101.57 2.08 12.11 14.90 92.38 51.38 -65.84 -37.52 6.82 0.03 93.14 0.88 0.54 4.99 92.12 1.44 0.01 0.01 0.01 16 K H H 139.58 1.62 11.78 13.87 93.48 53.52 -69.57 -30.67 20.13 0.14 79.74 3.21 1.85 14.68 77.81 2.29 0.03 0.06 0.07 17 Q H H 126.12 1.97 10.54 13.54 95.32 60.52 -73.88 -21.36 44.47 0.43 55.09 6.94 5.67 31.77 52.29 2.83 0.06 0.17 0.26 18 N C T 121.55 1.70 10.09 12.72 99.83 54.67 -90.71 11.58 70.95 0.80 28.25 19.83 10.45 40.65 25.12 3.16 0.02 0.32 0.46 19 R C C 149.07 2.59 9.21 13.73 117.23 118.96 -92.42 138.86 95.45 2.36 2.19 58.26 33.84 3.47 1.48 0.69 0.00 0.93 1.33 20 S C C 88.44 1.56 11.00 13.70 114.43 -105.75 -71.92 145.55 91.85 7.38 0.77 83.27 6.99 1.19 0.43 0.30 0.00 2.91 4.92 21 V C C 89.10 6.31 7.49 15.61 115.80 -115.55 -86.62 137.68 95.52 3.63 0.85 80.88 13.84 0.88 0.62 0.26 0.00 1.93 1.60 22 P C C 75.93 3.90 10.60 16.24 112.81 -105.91 -64.10 143.13 94.12 3.22 2.66 87.45 4.65 2.24 1.72 0.77 0.00 2.21 0.95 23 Q C H 141.24 1.90 10.69 14.02 93.98 -131.08 -67.59 -27.99 50.61 8.48 40.91 13.76 20.74 17.75 26.33 12.28 0.50 6.99 1.67 24 W H H 174.82 2.30 11.11 14.27 94.78 64.36 -74.10 -20.58 30.46 27.92 41.62 10.40 9.49 13.24 26.44 13.05 0.89 24.58 1.89 25 V E E 71.12 6.43 9.32 17.42 100.21 58.92 -86.32 -5.84 11.63 52.76 35.61 7.56 2.65 3.14 26.53 7.64 0.08 51.43 0.98 26 R E E 127.76 5.03 10.82 17.47 107.79 82.79 -87.75 85.78 8.44 73.56 18.00 5.78 1.36 1.47 16.49 2.76 0.01 71.41 0.72 27 L E E 99.18 3.80 9.80 15.37 115.96 58.98 -97.13 129.73 7.80 86.55 5.65 5.87 1.06 0.94 5.76 1.07 0.00 84.42 0.88 28 R E E 149.51 3.45 8.57 13.92 115.10 -159.02 -96.31 134.22 21.78 73.92 4.30 15.63 3.68 2.57 3.08 1.35 0.00 72.87 0.82 29 T E E 101.10 1.89 8.69 11.70 115.34 3.01 -118.51 114.74 41.88 51.74 6.37 10.74 11.02 24.10 2.83 3.05 0.04 46.43 1.80 30 G C T 66.89 0.41 10.60 9.80 103.64 -45.02 62.59 -82.23 97.14 0.54 2.32 4.03 14.15 79.28 0.48 1.52 0.00 0.38 0.15 31 N C T 136.28 1.09 9.20 10.84 99.79 -16.59 -95.79 8.98 97.74 0.94 1.32 5.77 21.47 70.65 0.14 1.08 0.00 0.74 0.15 32 T E E 86.15 2.32 10.08 14.05 120.59 101.72 -103.94 139.29 23.60 76.19 0.20 18.93 4.54 0.60 0.07 0.14 0.00 74.10 1.62 33 I E E 91.44 7.12 8.26 17.16 117.62 -150.27 -103.22 131.26 9.51 90.42 0.07 9.02 0.46 0.08 0.03 0.03 0.00 89.42 0.96 34 R E E 134.23 3.52 13.33 18.61 122.93 -168.56 -117.85 140.36 15.44 84.41 0.15 14.00 1.12 0.19 0.07 0.07 0.00 83.87 0.70 35 Y E E 120.10 8.23 10.06 19.74 119.73 -143.19 -103.32 136.48 35.10 64.00 0.89 30.96 3.15 0.67 0.52 0.40 0.00 61.94 2.35 36 N C C 67.90 5.62 11.56 19.22 112.62 -151.71 -104.20 115.31 86.69 10.25 3.06 80.44 4.72 1.41 1.87 1.11 0.00 9.36 1.09 37 A C T 72.28 4.34 10.70 16.98 94.02 -159.60 -67.24 -23.97 54.83 1.69 43.48 18.23 11.49 24.87 23.18 20.51 0.05 0.96 0.71 38 K C T 153.71 1.17 12.81 13.96 93.36 63.39 -69.88 -25.47 53.25 1.38 45.37 14.07 11.63 27.14 25.38 20.25 0.09 0.70 0.74 39 R H H 119.11 5.32 10.27 17.22 98.39 58.71 -87.14 1.54 49.00 1.69 49.31 27.25 10.20 11.64 29.66 19.60 0.03 0.86 0.77 40 R H H 119.21 6.14 10.66 18.42 96.34 95.50 -66.92 -35.99 45.77 1.32 52.91 30.63 7.36 8.64 42.59 9.54 0.01 0.69 0.54 41 H H H 117.62 2.69 12.82 16.25 96.50 57.14 -73.13 -28.89 39.91 1.50 58.60 24.90 6.13 9.96 45.58 11.99 0.02 0.85 0.57 42 W H H 134.57 3.90 11.18 16.59 94.32 64.13 -68.30 -34.50 31.15 1.23 67.62 16.12 5.51 10.36 50.98 15.86 0.03 0.71 0.43 43 R H H 127.08 3.76 11.00 16.27 95.72 56.24 -71.06 -33.22 31.19 1.39 67.42 17.14 5.24 9.81 53.16 13.32 0.03 0.81 0.49 44 R H H 134.19 3.39 10.62 15.45 95.81 58.61 -71.10 -34.27 32.85 1.22 65.93 17.45 6.56 10.06 53.58 11.21 0.04 0.64 0.47 45 T H H 86.26 2.54 10.10 13.80 96.92 57.44 -72.80 -33.83 37.30 1.00 61.70 17.37 7.35 13.31 50.18 10.80 0.04 0.52 0.43 46 K H H 147.67 1.64 9.89 12.41 96.11 55.53 -73.25 -26.24 44.83 1.22 53.96 18.13 8.82 18.83 42.49 10.49 0.06 0.60 0.57 47 L C H 107.41 3.32 8.00 12.97 99.18 56.07 -83.54 -5.93 59.57 1.71 38.72 23.29 12.05 25.14 29.06 8.75 0.05 0.80 0.86 48 K C C 165.58 1.29 10.22 12.46 100.05 -126.47 38.39 37.23 84.43 1.25 14.32 58.18 3.17 23.71 10.46 3.15 0.00 0.67 0.66 49 L C C 105.31 4.72 9.73 16.09 105.86 141.08 -85.45 43.98 99.87 0.08 0.05 99.67 0.14 0.11 0.02 0.00 0.00 0.04 0.01