# 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 116.15 5.04 10.37 17.06 112.27 -152.12 -89.67 128.25 99.85 0.07 0.08 99.63 0.16 0.12 0.04 0.01 0.00 0.03 0.02 1 A C C 80.06 2.77 8.76 13.26 111.57 -133.84 -84.86 132.64 89.64 0.83 9.53 84.67 1.12 5.38 5.51 2.47 0.00 0.40 0.45 2 R C C 171.43 2.09 7.99 11.72 110.41 -141.80 -91.59 118.37 82.01 2.01 15.97 55.35 14.64 11.92 9.49 6.45 0.00 0.98 1.16 3 F C C 141.63 3.43 7.64 12.90 113.08 -157.83 -95.89 126.07 77.41 3.18 19.41 52.89 14.49 9.82 11.80 7.68 0.00 1.64 1.67 4 Y C C 150.41 3.90 8.20 14.01 114.61 -157.01 -98.63 128.16 75.95 3.42 20.64 56.84 11.33 7.42 13.87 7.03 0.00 1.83 1.67 5 R C C 157.16 3.11 9.24 14.26 113.58 -152.79 -95.14 129.30 73.88 2.74 23.38 54.00 11.41 8.14 16.15 7.52 0.01 1.52 1.26 6 R C C 160.28 3.38 9.73 14.97 111.01 -143.76 -88.43 122.21 69.62 2.58 27.80 46.64 12.62 9.97 16.93 11.22 0.01 1.41 1.21 7 R C C 138.94 5.98 10.08 17.65 114.07 -148.50 -89.68 132.00 71.76 2.78 25.46 47.86 13.02 10.55 14.37 11.38 0.01 1.54 1.27 8 K C C 139.75 3.77 14.08 19.26 110.09 -147.81 -89.58 111.35 75.33 4.92 19.75 52.14 13.00 10.02 10.90 9.03 0.02 3.01 1.90 9 F C C 95.97 10.02 13.66 24.50 120.71 -122.33 -103.55 143.69 76.50 12.26 11.25 59.12 11.48 4.56 7.80 3.82 0.01 5.46 7.74 10 C C C 29.01 14.65 12.88 28.20 113.16 -124.06 -87.81 128.80 84.42 7.29 8.29 74.70 6.42 2.83 6.40 2.15 0.00 3.90 3.62 11 R C H 123.63 6.26 19.15 26.30 94.54 -144.59 -68.16 -26.37 54.37 4.14 41.49 18.65 15.69 21.56 28.19 11.59 0.33 2.30 1.68 12 F C H 49.09 14.11 14.39 29.01 94.54 58.66 -73.31 -24.94 51.65 5.15 43.20 14.85 13.85 24.21 27.66 13.67 0.69 2.87 2.20 13 T C H 42.66 12.55 13.95 26.92 98.70 60.28 -78.10 -33.45 49.51 6.49 44.00 23.55 11.26 16.18 28.08 14.36 0.36 3.58 2.63 14 A C H 63.68 6.24 14.27 21.67 94.54 61.44 -70.20 -25.72 49.53 4.11 46.36 13.56 12.37 23.99 28.34 16.75 0.77 2.11 2.10 15 E C T 122.38 3.76 14.90 19.62 99.14 49.44 -89.70 2.25 66.83 1.04 32.13 5.36 9.79 49.99 18.06 15.20 0.18 0.57 0.85 16 N C T 114.92 3.69 15.40 20.18 96.76 -107.71 61.57 29.72 76.69 1.82 21.49 14.01 10.96 51.48 11.05 10.45 0.05 1.09 0.91 17 V C C 37.68 15.78 9.33 24.82 114.47 160.91 -91.96 125.08 75.04 13.71 11.24 64.00 6.00 4.16 5.50 5.99 0.01 9.00 5.34 18 A C C 73.47 4.46 17.99 23.42 100.99 -175.36 -90.36 -22.31 75.91 13.95 10.14 43.31 25.55 8.18 3.20 6.76 0.07 10.29 2.64 19 Y C C 135.36 5.09 19.77 25.88 125.35 24.82 -129.72 136.57 66.91 23.89 9.20 47.03 13.68 6.93 3.03 6.44 0.08 17.87 4.93 20 I C C 24.43 21.56 11.55 32.41 120.94 -162.96 -113.81 129.99 82.08 15.61 2.31 76.55 4.33 0.96 1.31 1.14 0.00 11.29 4.42 21 D C C 66.26 5.80 21.76 28.03 109.61 -147.45 -100.97 112.27 94.57 4.65 0.78 93.23 1.49 0.48 0.31 0.30 0.00 2.84 1.35 22 Y C T 57.77 19.07 12.12 30.83 93.68 -168.53 -71.07 -15.48 76.45 0.56 22.99 5.61 7.10 62.40 2.47 21.81 0.00 0.33 0.28 23 K C T 144.21 2.84 17.91 21.52 91.97 66.03 -77.37 -13.77 78.81 0.44 20.75 3.39 8.50 65.80 2.17 19.63 0.00 0.24 0.27 24 D C C 66.75 6.38 15.50 23.42 107.01 68.56 -107.06 90.60 83.70 1.81 14.49 63.96 11.71 6.97 3.20 12.17 0.00 0.77 1.22 25 I H H 60.04 15.80 11.52 27.15 93.55 174.24 -64.00 -34.61 6.62 0.06 93.32 2.45 1.19 3.28 87.21 5.80 0.01 0.03 0.03 26 D H H 103.73 1.78 19.00 20.27 91.70 58.54 -63.86 -38.14 2.72 0.01 97.26 0.25 0.23 2.11 89.42 7.97 0.00 0.01 0.01 27 T H H 42.67 8.40 17.36 27.25 92.62 50.35 -66.29 -40.22 1.64 0.01 98.35 0.16 0.13 1.27 91.00 7.43 0.00 0.01 0.00 28 L H H 6.38 24.36 12.49 36.71 91.80 52.05 -65.51 -38.45 1.79 0.01 98.20 0.20 0.16 1.31 91.66 6.66 0.00 0.01 0.00 29 K H H 105.84 10.22 19.03 29.57 91.00 59.23 -64.08 -31.61 9.64 0.07 90.30 0.55 0.56 7.94 69.64 21.19 0.04 0.04 0.03 30 Q H H 116.99 2.96 22.98 25.65 91.38 57.85 -71.98 -22.72 37.24 0.09 62.67 0.74 1.48 35.36 43.20 19.06 0.05 0.04 0.08 31 Y C T 30.86 18.73 16.27 35.25 96.79 48.51 -95.86 -7.48 53.60 0.41 45.99 2.74 4.30 45.13 27.52 19.70 0.06 0.24 0.31 32 I E B 24.64 19.98 13.13 33.01 121.51 88.50 -100.59 138.96 5.72 94.07 0.22 3.21 0.65 0.03 0.22 0.02 0.00 9.05 86.83 33 T C C 42.96 8.32 15.54 25.53 123.17 -133.84 -81.25 171.58 94.97 4.86 0.16 95.45 0.42 0.14 0.07 0.05 0.00 2.78 1.08 34 E C T 159.92 1.82 14.59 17.46 90.52 -91.97 -63.20 -23.26 98.87 0.57 0.56 0.46 3.25 95.44 0.08 0.32 0.00 0.33 0.12 35 N C T 111.04 2.03 17.32 18.99 92.47 55.42 -87.61 -1.83 99.40 0.12 0.48 0.22 3.16 96.16 0.03 0.33 0.00 0.06 0.03 36 G C S 16.45 16.00 12.96 29.06 95.34 -107.49 83.12 8.09 99.47 0.34 0.18 10.57 88.09 0.94 0.02 0.11 0.00 0.13 0.13 37 K C C 98.03 5.43 22.13 28.52 120.56 136.04 -86.88 145.59 94.30 5.62 0.08 75.55 18.94 0.24 0.04 0.04 0.00 2.84 2.36 38 I E B 25.73 21.64 15.00 36.49 113.02 -113.47 -80.18 130.81 8.16 91.75 0.09 5.86 0.55 0.02 0.09 0.01 0.00 12.61 80.87 39 V C C 33.16 13.92 18.48 33.28 116.69 -132.40 -86.97 134.07 91.85 8.07 0.08 90.99 1.48 0.07 0.04 0.03 0.00 6.60 0.79 40 P C C 47.53 9.32 19.79 30.06 113.67 -105.08 -66.45 145.98 92.97 3.54 3.49 89.71 2.62 1.20 1.86 1.24 0.00 2.11 1.26 41 S H G 51.18 13.77 13.56 27.43 92.45 -121.90 -62.44 -25.74 46.13 1.31 52.57 13.14 9.94 23.55 15.63 36.37 0.03 0.71 0.63 42 R H G 166.85 2.27 18.32 20.90 92.03 65.49 -71.24 -18.98 42.82 2.64 54.54 11.21 8.93 23.11 18.77 35.23 0.15 1.49 1.11 43 I H G 71.34 10.97 14.33 25.93 98.25 57.63 -86.16 -10.01 45.21 5.52 49.27 19.31 12.13 15.82 19.36 28.07 0.20 2.96 2.15 44 T C C 42.60 15.77 12.21 27.30 105.80 68.74 -96.57 8.86 72.59 6.16 21.25 39.86 18.38 14.93 15.35 5.38 0.11 2.63 3.37 45 G C S 53.79 3.40 18.46 22.37 98.85 -109.11 80.66 5.40 89.72 2.64 7.65 23.48 44.86 22.17 4.00 2.91 0.02 1.26 1.30 46 T C S 42.24 14.19 10.88 25.11 122.46 108.72 -96.97 154.13 87.64 3.96 8.41 28.41 48.95 10.55 5.82 2.35 0.03 1.59 2.30 47 K C C 111.17 4.05 17.64 21.92 113.99 -99.35 -72.57 149.29 88.60 3.90 7.50 78.15 6.78 3.10 6.46 1.47 0.00 1.54 2.50 48 A H H 64.12 7.11 13.55 22.15 92.83 -114.16 -59.56 -38.46 3.09 0.02 96.89 1.00 0.56 1.35 96.51 0.56 0.00 0.01 0.01 49 R H H 151.66 1.80 19.03 20.22 91.74 53.50 -64.20 -40.19 1.22 0.01 98.77 0.23 0.12 0.74 98.42 0.48 0.00 0.00 0.00 50 Y H H 65.12 11.48 17.03 29.32 92.42 48.00 -66.69 -40.47 0.53 0.00 99.46 0.12 0.05 0.30 99.09 0.44 0.00 0.00 0.00 51 Q H H 34.44 17.05 15.65 32.54 91.77 52.48 -62.89 -42.17 0.18 0.00 99.82 0.03 0.01 0.10 99.77 0.09 0.00 0.00 0.00 52 R H H 131.91 3.46 22.86 26.33 91.60 50.27 -64.05 -40.94 0.16 0.00 99.84 0.02 0.01 0.09 99.83 0.04 0.00 0.00 0.00 53 Q H H 82.06 6.22 23.09 29.49 91.71 49.52 -64.75 -41.27 0.11 0.00 99.89 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 54 L H H 14.60 20.86 18.72 39.42 92.25 50.02 -64.83 -42.07 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 55 A H H 26.88 13.06 21.55 34.95 91.52 51.44 -62.91 -42.31 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 56 L H H 84.06 3.10 25.70 28.00 91.67 49.54 -64.24 -42.20 0.10 0.00 99.90 0.00 0.00 0.07 99.91 0.02 0.00 0.00 0.00 57 A H H 18.40 12.76 21.24 35.04 91.69 50.47 -64.19 -42.67 0.14 0.00 99.86 0.01 0.01 0.10 99.86 0.03 0.00 0.00 0.00 58 I H H 14.76 21.15 19.05 39.83 91.82 49.87 -63.88 -42.88 0.15 0.00 99.85 0.02 0.01 0.10 99.82 0.05 0.00 0.00 0.00 59 K H H 98.38 6.64 23.73 30.64 91.53 50.48 -63.16 -41.88 0.17 0.00 99.83 0.01 0.01 0.11 99.81 0.06 0.00 0.00 0.00 60 Q H H 83.95 4.07 23.05 26.96 91.76 49.64 -64.60 -41.61 0.23 0.00 99.77 0.02 0.01 0.16 99.71 0.10 0.00 0.00 0.00 61 A H H 9.68 15.40 15.31 32.22 91.69 51.06 -63.78 -42.09 0.34 0.00 99.66 0.03 0.01 0.24 99.49 0.23 0.00 0.00 0.00 62 R H H 87.61 11.44 16.20 28.07 92.06 50.72 -63.89 -40.88 0.75 0.00 99.25 0.05 0.03 0.60 98.90 0.41 0.00 0.00 0.00 63 Y H H 154.22 2.27 17.04 19.43 91.92 49.86 -66.29 -35.75 1.93 0.00 98.07 0.08 0.08 1.74 97.66 0.43 0.00 0.00 0.00 64 L H H 95.32 4.28 14.19 19.71 94.17 50.65 -85.01 -7.57 19.17 0.04 80.79 0.33 0.63 19.41 78.55 0.98 0.05 0.01 0.03 65 S C T 79.21 4.17 14.54 20.12 95.77 -109.34 67.24 9.35 74.82 0.06 25.12 0.75 2.07 70.72 25.46 0.91 0.00 0.02 0.05 66 L C T 92.07 6.05 14.88 22.27 97.58 110.85 -87.40 -10.48 89.42 0.66 9.92 10.46 19.72 58.36 9.32 1.37 0.00 0.25 0.51 67 I C S 49.24 13.98 10.13 24.35 122.62 59.96 -114.75 132.36 96.07 1.54 2.38 39.75 54.23 2.31 1.35 0.88 0.00 0.60 0.88 68 P C C 82.39 4.52 15.49 21.12 109.57 -121.52 -68.90 140.24 95.58 1.07 3.34 72.56 14.61 8.18 0.96 2.58 0.00 0.60 0.50 69 Y C C 138.86 7.30 11.50 20.11 114.66 -137.74 -94.77 129.16 86.49 6.45 7.06 63.86 12.63 9.02 2.58 4.74 0.00 3.10 4.06 70 T C C 77.74 5.84 10.67 18.24 120.12 -166.64 -109.56 139.59 87.67 4.08 8.25 65.18 13.14 9.00 2.81 5.63 0.00 2.30 1.94 71 D C C 107.44 3.52 10.06 15.40 105.42 -148.06 -88.93 41.82 86.37 2.04 11.59 46.36 22.34 17.79 2.59 8.96 0.00 1.08 0.87 72 N C C 114.52 2.74 9.52 13.94 107.32 104.20 -90.38 74.44 86.83 2.01 11.15 47.82 19.34 19.54 2.22 9.16 0.00 1.08 0.85 73 H C C 126.95 4.64 7.46 13.96 111.66 141.89 -92.37 117.62 91.05 2.03 6.92 81.58 2.17 8.35 1.79 4.01 0.00 1.31 0.79 74 K C C 148.32 2.60 11.49 15.82 115.29 -166.97 -101.11 128.65 99.71 0.23 0.06 99.53 0.16 0.11 0.03 0.01 0.00 0.14 0.03