# 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 110.08 5.90 10.98 18.54 115.16 -161.74 -96.95 131.38 99.81 0.15 0.04 99.71 0.13 0.05 0.02 0.00 0.00 0.07 0.03 1 G C C 43.65 3.67 10.71 15.88 118.31 -150.61 -91.33 169.14 86.81 1.57 11.61 81.73 1.35 4.55 8.91 1.85 0.00 0.67 0.93 2 H C H 140.35 3.27 9.08 13.86 98.78 -96.24 -74.07 -18.26 49.87 1.59 48.54 25.63 10.01 15.21 33.17 14.39 0.04 0.78 0.78 3 S H H 79.69 2.53 10.23 14.17 97.96 68.39 -72.80 -27.39 41.67 1.26 57.06 18.16 8.71 15.14 38.75 17.97 0.06 0.68 0.54 4 N H H 101.16 3.50 10.79 15.73 98.01 60.24 -81.45 -9.56 37.51 1.73 60.76 20.23 7.60 10.35 42.43 17.72 0.05 0.99 0.63 5 V H H 81.28 5.82 10.32 17.72 97.71 76.35 -76.18 -28.51 36.05 3.27 60.68 20.44 8.13 10.20 46.27 11.78 0.11 1.92 1.15 6 W H H 155.08 5.09 11.53 18.10 100.76 59.17 -77.98 -12.16 43.97 4.36 51.68 21.50 9.62 15.43 38.92 10.11 0.19 2.57 1.66 7 N C C 109.03 3.78 12.70 17.78 100.42 50.32 -87.23 19.28 62.12 3.29 34.59 30.24 12.29 20.73 26.09 7.41 0.07 1.68 1.49 8 S C C 64.70 5.91 11.91 19.34 103.56 104.68 -86.54 7.47 78.04 3.25 18.71 42.09 24.68 11.57 14.01 4.44 0.02 1.32 1.86 9 H C C 96.38 8.03 10.62 20.10 118.06 87.67 -98.36 136.74 91.47 2.29 6.23 50.67 36.18 4.55 4.31 1.82 0.00 0.83 1.64 10 P C C 74.40 5.92 12.02 19.61 111.15 -104.05 -67.19 147.81 84.67 1.50 13.83 67.30 6.48 10.69 5.20 8.62 0.00 0.77 0.94 11 K C T 149.49 3.23 11.19 16.11 98.23 -127.00 -73.02 -20.69 78.74 1.37 19.88 22.36 18.83 37.94 4.62 14.65 0.01 0.65 0.94 12 N C T 129.47 1.39 12.98 14.58 100.60 52.18 -89.70 9.23 78.85 1.96 19.19 19.18 22.19 38.28 3.94 14.22 0.02 0.93 1.25 13 Y C C 119.50 7.72 9.16 18.04 109.12 89.44 -95.99 75.72 82.38 4.48 13.15 43.36 26.53 12.42 3.86 8.28 0.01 1.53 4.01 14 G C C 36.12 3.95 13.19 18.55 127.17 -137.79 104.20 -177.31 92.00 2.27 5.72 59.36 22.35 9.50 1.30 4.62 0.00 0.85 2.02 15 A C T 91.97 2.00 12.97 15.89 105.25 -47.93 -65.19 108.29 88.32 0.81 10.87 4.72 9.16 72.74 0.78 11.65 0.00 0.48 0.47 16 G C T 50.41 4.10 14.20 19.40 96.34 32.79 76.73 -2.46 89.86 0.57 9.57 6.47 8.27 73.45 0.73 10.47 0.00 0.35 0.26 17 S C C 43.26 9.80 12.93 24.11 104.81 105.48 -82.52 44.71 90.92 3.27 5.81 72.72 12.96 4.05 0.86 5.75 0.00 1.54 2.12 18 R C C 108.23 9.87 16.83 27.17 108.54 93.90 -99.71 48.28 86.92 11.87 1.21 70.47 14.05 1.81 0.42 0.85 0.00 6.69 5.70 19 V E B 76.12 6.64 20.49 27.81 124.31 116.71 -108.05 144.20 40.18 59.56 0.26 34.38 2.10 0.08 0.20 0.05 0.00 9.41 53.78 20 C C C 12.41 19.64 11.09 31.19 109.75 -110.75 -68.80 128.65 93.09 6.84 0.06 93.68 0.77 0.07 0.02 0.02 0.00 2.97 2.46 21 R C T 147.30 4.00 18.48 23.64 92.86 -148.50 -70.27 -26.77 99.41 0.37 0.23 1.09 9.75 88.60 0.02 0.18 0.00 0.23 0.13 22 V C T 76.01 7.73 16.25 24.93 99.81 44.18 -83.69 -42.22 99.80 0.08 0.12 0.08 3.17 96.62 0.00 0.07 0.00 0.03 0.02 23 C C T 59.27 7.12 14.52 23.11 102.50 20.69 -108.19 -13.36 99.79 0.07 0.13 0.23 3.80 95.82 0.01 0.08 0.00 0.04 0.02 24 G C C 49.92 3.45 15.91 20.43 94.96 -118.48 80.71 5.07 98.26 1.64 0.10 73.25 21.02 3.78 0.03 0.08 0.00 0.62 1.22 25 N C C 65.58 7.62 13.41 23.01 114.03 135.07 -80.74 137.16 96.61 3.22 0.17 82.76 12.41 0.85 0.05 0.13 0.00 1.02 2.78 26 S C S 72.77 6.28 17.01 24.50 96.43 -143.32 -75.87 -10.95 78.21 20.29 1.49 27.23 32.66 17.72 0.40 1.19 0.02 7.65 13.13 27 H C C 95.36 7.96 19.38 27.79 115.06 70.80 -106.87 114.16 94.37 4.86 0.77 42.38 31.10 21.03 0.14 0.73 0.00 2.52 2.09 28 G C C 11.41 15.20 15.92 31.72 123.42 133.62 -95.00 161.18 90.35 7.42 2.23 76.79 10.62 1.91 1.19 0.94 0.00 2.85 5.69 29 L C S 45.34 11.37 20.18 32.39 96.17 -123.34 -77.79 -18.76 68.39 18.48 13.13 24.22 37.47 6.45 8.54 3.75 0.17 6.56 12.83 30 I H B 23.24 18.33 14.07 32.47 93.89 70.44 -71.69 -31.06 21.15 39.39 39.45 9.95 6.15 7.60 19.20 17.85 0.53 16.16 22.57 31 R H G 133.58 6.19 16.10 23.62 92.33 59.62 -63.94 -37.56 10.89 1.94 87.18 3.67 1.94 5.97 14.63 71.67 0.01 1.92 0.18 32 K H G 142.14 2.49 16.48 19.72 91.27 53.82 -67.42 -30.71 11.39 0.69 87.91 0.99 1.33 9.25 12.08 75.64 0.03 0.58 0.10 33 Y H G 100.02 8.96 13.73 23.95 97.57 38.31 -100.77 3.92 18.49 0.10 81.41 0.51 1.26 17.20 8.34 72.60 0.00 0.05 0.04 34 G C T 49.62 3.36 19.27 22.85 94.10 -107.96 79.17 12.98 99.56 0.08 0.36 2.89 3.68 93.10 0.07 0.20 0.00 0.05 0.02 35 L C C 31.22 17.06 12.77 30.08 118.12 131.46 -102.52 134.20 88.60 10.94 0.45 75.21 11.07 1.93 0.16 0.35 0.00 5.33 5.96 36 M C S 91.29 7.81 22.40 30.87 103.25 -153.46 -97.15 44.44 87.78 12.05 0.17 34.71 52.62 1.56 0.05 0.13 0.00 9.30 1.63 37 C C C 16.55 17.35 17.88 35.59 135.76 107.19 -130.16 160.03 58.86 40.94 0.20 31.47 28.22 0.48 0.11 0.09 0.00 17.87 21.75 38 C C C 26.01 11.55 20.48 33.15 116.93 -103.60 -70.61 153.57 85.09 14.79 0.12 85.81 0.92 0.03 0.10 0.02 0.00 9.80 3.33 39 R H H 101.74 12.05 17.42 29.89 90.92 -113.01 -58.26 -39.35 1.31 0.00 98.68 0.13 0.14 0.89 98.58 0.26 0.00 0.00 0.00 40 Q H H 104.08 2.69 22.53 24.53 91.58 53.50 -63.97 -41.20 0.60 0.01 99.40 0.04 0.04 0.47 99.13 0.32 0.00 0.00 0.00 41 C H H 27.65 10.18 18.59 30.34 92.23 48.71 -65.37 -41.94 0.41 0.00 99.59 0.05 0.03 0.28 99.21 0.42 0.00 0.00 0.00 42 F H H 11.42 22.00 13.77 35.77 91.62 50.44 -63.89 -43.15 0.23 0.00 99.77 0.03 0.02 0.14 99.62 0.19 0.00 0.00 0.00 43 R H H 113.10 7.83 18.51 27.08 91.44 51.22 -63.91 -40.29 0.73 0.00 99.26 0.06 0.03 0.56 98.97 0.37 0.00 0.00 0.00 44 S H H 71.35 1.78 20.83 20.94 92.39 49.33 -69.68 -34.55 3.74 0.00 96.26 0.09 0.12 3.54 95.85 0.40 0.00 0.00 0.00 45 D H H 47.17 9.71 15.91 26.98 99.07 38.73 -98.93 -11.63 21.96 0.07 77.97 1.20 1.49 18.74 77.65 0.82 0.03 0.02 0.05 46 A H H 14.73 17.81 10.20 28.02 92.56 89.21 -61.76 -41.08 19.78 0.54 79.68 4.09 2.24 12.95 55.28 24.79 0.10 0.26 0.30 47 K H H 146.18 2.05 15.78 18.55 91.90 53.39 -64.63 -37.99 11.68 0.25 88.08 1.60 0.92 8.17 49.87 39.16 0.04 0.19 0.07 48 D H H 112.51 1.58 15.81 17.07 91.53 53.82 -69.19 -26.09 13.62 0.16 86.22 0.99 0.87 10.57 50.64 36.70 0.07 0.10 0.06 49 I H T 67.75 10.15 11.59 22.87 96.17 47.24 -93.68 -0.96 37.93 0.14 61.93 0.98 2.14 34.25 30.08 32.29 0.07 0.06 0.12 50 G C T 50.88 2.36 17.24 19.56 98.80 -101.30 87.85 9.03 99.22 0.08 0.70 3.04 3.47 92.84 0.41 0.16 0.00 0.05 0.02 51 F C C 69.41 13.34 8.93 22.38 118.37 129.39 -93.68 137.03 90.85 8.29 0.86 77.62 11.64 1.94 0.44 0.45 0.00 5.48 2.44 52 I C C 103.19 4.39 13.58 19.58 119.03 -159.17 -110.12 134.67 83.19 15.81 1.00 73.31 8.07 1.72 0.52 0.52 0.00 12.19 3.67 53 K C C 127.99 5.79 10.68 18.39 114.57 -139.76 -88.76 129.62 82.31 16.33 1.36 70.20 8.01 3.36 0.53 0.88 0.00 13.87 3.14 54 Y C C 146.36 4.93 8.94 15.60 113.86 -154.70 -97.32 126.47 91.83 7.00 1.17 87.81 1.41 2.92 0.34 0.61 0.00 5.37 1.53 55 R C C 174.42 2.27 11.51 15.27 110.18 -150.98 -92.79 109.50 99.84 0.15 0.01 99.77 0.09 0.04 0.00 0.00 0.00 0.09 0.01