# 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 G C C 46.76 3.65 12.73 17.77 120.71 148.71 115.81 -173.32 99.89 0.10 0.01 99.55 0.27 0.10 0.00 0.00 0.00 0.05 0.02 1 D C C 119.67 1.76 11.08 13.83 109.18 -50.92 -88.05 114.24 93.24 3.04 3.72 77.80 6.46 9.00 1.26 2.17 0.00 1.73 1.58 2 F C C 125.31 6.17 7.41 14.99 114.10 -147.31 -93.59 128.17 87.18 7.84 4.98 53.87 23.53 9.75 1.76 3.07 0.01 3.56 4.45 3 R C C 136.19 4.56 10.11 16.32 111.49 -111.31 -82.45 131.71 86.46 7.11 6.43 72.44 8.01 5.69 2.61 3.65 0.00 3.92 3.69 4 A C S 81.83 3.64 10.94 16.11 98.98 -160.35 -82.76 -14.14 87.14 4.64 8.21 33.80 38.74 15.50 3.05 4.45 0.01 2.41 2.03 5 K C S 141.01 2.51 12.59 16.27 113.97 52.93 -105.14 119.57 80.31 12.30 7.39 31.78 35.71 14.06 2.81 4.07 0.07 6.70 4.80 6 V C C 74.62 8.38 9.43 19.08 114.91 -138.34 -100.26 130.63 77.82 17.36 4.82 56.14 15.33 5.42 2.49 2.56 0.01 9.69 8.34 7 W C C 158.64 4.62 12.26 18.32 109.38 -146.03 -93.10 102.83 79.51 16.33 4.16 59.70 14.02 4.46 2.36 2.01 0.01 9.20 8.24 8 S C C 48.82 6.86 11.28 19.82 125.22 99.70 -112.16 154.37 85.20 12.08 2.72 60.73 20.10 3.79 1.28 1.51 0.01 5.34 7.24 9 M C T 125.54 4.71 11.44 17.67 94.14 -116.50 -65.99 -23.46 87.71 2.74 9.55 11.56 21.93 54.06 1.57 7.96 0.01 1.62 1.28 10 T C T 95.49 3.14 11.73 15.78 97.84 58.46 -86.40 1.14 91.99 1.01 6.99 6.20 15.76 69.56 0.84 6.45 0.00 0.57 0.60 11 G C T 46.15 4.37 12.74 18.34 103.23 -87.01 89.78 3.40 90.37 3.51 6.12 24.01 32.34 33.62 0.75 5.69 0.00 1.63 1.96 12 G C C 27.10 6.77 10.44 19.04 125.88 135.67 -86.37 155.75 86.56 6.10 7.35 46.94 29.17 9.66 1.56 5.86 0.00 2.24 4.56 13 P C T 97.71 4.11 12.42 17.79 94.63 -55.37 -67.82 -23.97 67.83 2.10 30.06 6.03 11.76 48.69 2.37 28.64 0.02 1.13 1.37 14 N C T 115.23 2.37 13.42 16.54 97.42 54.25 -87.75 -3.92 68.83 1.88 29.29 6.94 10.81 49.74 2.59 27.77 0.01 1.08 1.05 15 C C C 54.73 8.83 10.13 20.38 112.72 85.03 -96.34 124.10 67.82 6.61 25.57 37.74 16.25 13.96 3.90 21.22 0.02 2.93 3.98 16 R C C 133.70 5.67 12.95 20.42 115.79 -148.49 -108.35 120.05 95.20 4.05 0.76 68.58 25.42 0.87 0.43 0.32 0.00 1.36 3.04 17 P C C 57.23 8.87 10.07 20.50 113.85 -124.58 -68.96 148.07 89.13 2.72 8.16 74.58 6.01 8.18 2.88 5.22 0.00 1.25 1.90 18 K C T 166.25 1.06 13.91 14.63 94.90 -127.01 -67.63 -24.64 89.54 0.24 10.22 2.45 10.85 77.15 3.77 5.44 0.00 0.11 0.23 19 H C T 108.07 4.11 11.70 17.27 100.34 45.93 -98.11 15.88 88.36 0.20 11.44 7.88 6.51 74.33 6.24 4.78 0.00 0.09 0.19 20 W H H 99.97 9.89 10.21 21.38 93.65 116.89 -61.54 -40.90 3.90 0.01 96.08 1.45 0.59 1.86 95.11 0.98 0.00 0.00 0.01 21 R H H 155.54 1.93 15.52 17.69 91.72 51.93 -64.42 -40.92 0.82 0.00 99.18 0.13 0.07 0.52 98.82 0.46 0.00 0.00 0.00 22 R H H 138.08 1.62 17.40 17.99 91.97 48.94 -65.50 -40.83 0.29 0.00 99.71 0.05 0.02 0.17 99.44 0.32 0.00 0.00 0.00 23 N H H 53.25 7.29 14.07 23.14 92.13 49.89 -64.63 -41.13 0.16 0.00 99.83 0.03 0.01 0.09 99.79 0.08 0.00 0.00 0.00 24 T H H 51.06 7.57 15.26 24.25 91.96 50.44 -64.70 -41.52 0.09 0.00 99.90 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 25 A H H 59.20 2.22 18.08 19.66 91.57 50.48 -63.94 -41.89 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 26 I H H 96.02 2.19 18.35 19.85 91.91 48.49 -64.83 -42.24 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 27 A H H 40.66 7.47 14.83 23.76 91.81 49.98 -64.09 -41.77 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 28 M H H 92.64 4.93 16.51 22.32 91.78 50.55 -64.11 -41.44 0.13 0.00 99.87 0.00 0.00 0.09 99.88 0.02 0.00 0.00 0.00 29 F H H 127.51 1.43 18.22 18.07 91.78 49.61 -64.71 -41.64 0.17 0.00 99.83 0.01 0.00 0.12 99.84 0.03 0.00 0.00 0.00 30 G H H 33.70 3.19 16.33 20.08 91.80 49.91 -64.45 -41.88 0.36 0.00 99.64 0.01 0.01 0.28 99.65 0.04 0.00 0.00 0.00 31 V H H 62.83 6.98 14.61 22.74 91.95 49.22 -64.96 -41.63 0.43 0.00 99.57 0.02 0.01 0.34 99.55 0.08 0.00 0.00 0.00 32 F H H 116.10 3.60 15.84 20.17 91.89 50.51 -64.69 -40.86 0.35 0.00 99.65 0.02 0.01 0.27 99.45 0.25 0.00 0.00 0.00 33 L H H 109.38 1.29 17.35 17.12 92.44 49.06 -65.75 -40.52 0.95 0.00 99.05 0.02 0.02 0.89 98.41 0.65 0.00 0.00 0.00 34 V H H 83.00 3.28 16.12 19.64 93.86 44.18 -70.63 -38.18 4.85 0.00 95.15 0.05 0.09 5.41 93.63 0.81 0.00 0.00 0.00 35 C H H 49.57 7.98 13.62 22.79 93.68 48.53 -68.33 -38.64 4.86 0.01 95.13 0.13 0.25 4.52 94.68 0.40 0.01 0.00 0.00 36 I H H 88.55 3.65 15.97 20.50 91.76 54.17 -62.15 -42.71 1.78 0.00 98.22 0.14 0.16 1.35 97.83 0.51 0.00 0.00 0.00 37 P H H 78.77 1.72 17.65 18.29 91.60 50.01 -64.11 -41.67 0.99 0.00 99.00 0.15 0.06 0.69 98.61 0.48 0.00 0.00 0.00 38 I H H 83.76 4.02 16.67 21.02 92.03 49.33 -64.81 -41.95 0.16 0.00 99.84 0.01 0.01 0.11 99.70 0.17 0.00 0.00 0.00 39 A H H 44.51 7.33 14.48 23.05 91.65 50.36 -63.87 -41.33 0.14 0.00 99.86 0.01 0.01 0.08 99.84 0.05 0.00 0.00 0.00 40 K H H 116.10 2.58 17.40 20.09 91.90 50.14 -64.82 -40.60 0.27 0.00 99.73 0.02 0.01 0.19 99.72 0.05 0.00 0.00 0.00 41 L H H 88.49 2.03 17.82 19.05 92.06 49.23 -64.71 -41.74 0.31 0.00 99.69 0.02 0.01 0.22 99.66 0.09 0.00 0.00 0.00 42 S H H 39.27 6.50 14.47 22.49 91.97 50.49 -64.26 -40.59 0.60 0.00 99.40 0.05 0.03 0.42 99.18 0.32 0.00 0.00 0.00 43 A H H 45.01 7.58 13.10 22.42 91.41 52.00 -64.89 -35.55 2.04 0.00 97.96 0.11 0.09 1.71 96.21 1.87 0.00 0.00 0.00 44 K H H 149.41 1.48 16.51 17.58 91.83 55.37 -70.05 -22.98 11.52 0.01 88.47 0.29 0.43 11.23 85.99 2.04 0.01 0.00 0.01 45 L H H 110.80 2.92 14.41 17.89 96.71 48.11 -95.31 -3.51 34.79 0.12 65.10 1.73 2.42 30.02 63.60 2.06 0.04 0.04 0.09 46 E C C 77.06 10.95 9.10 20.97 115.38 108.91 -77.31 135.83 92.71 6.30 0.99 79.72 11.28 1.70 0.69 0.34 0.00 3.86 2.41 47 Q C C 122.47 3.03 13.54 18.40 122.10 -167.03 -117.80 138.21 59.49 40.12 0.39 57.08 1.99 0.27 0.27 0.11 0.00 15.79 24.48 48 R C C 117.55 8.60 9.13 19.07 116.01 -143.19 -96.85 130.41 89.54 10.17 0.28 86.27 2.93 0.61 0.08 0.17 0.00 7.37 2.57 49 P C S 105.44 2.24 11.63 15.26 95.14 -146.34 -73.58 -20.37 97.80 1.83 0.37 23.79 61.62 12.40 0.04 0.37 0.00 1.49 0.29 50 H C S 134.03 1.74 12.98 15.39 125.79 40.18 -126.93 143.43 97.02 2.67 0.31 15.93 75.20 6.09 0.04 0.27 0.00 1.59 0.88 51 M C C 130.56 3.48 11.46 17.02 114.20 -108.14 -72.75 137.07 98.86 1.07 0.07 83.81 14.80 0.32 0.02 0.05 0.00 0.54 0.46 52 P C C 47.96 12.93 6.42 19.06 114.88 -110.19 -66.29 146.27 98.42 1.39 0.19 95.25 2.63 0.54 0.05 0.09 0.00 0.46 0.97 53 V C S 135.61 0.57 12.94 12.13 96.82 -154.88 -88.29 -17.41 99.18 0.72 0.10 22.13 75.82 1.38 0.02 0.06 0.00 0.27 0.32 54 R C S 155.32 1.36 12.06 13.86 128.20 41.48 -127.00 150.73 98.88 1.01 0.10 5.82 91.81 1.59 0.01 0.05 0.00 0.43 0.29 55 P C C 102.65 3.06 11.40 16.20 112.49 -91.30 -66.45 141.23 98.02 1.69 0.29 77.75 17.45 2.72 0.08 0.22 0.00 0.74 1.03 56 I C C 73.19 8.42 8.58 18.54 118.88 -155.68 -108.82 128.82 90.73 5.50 3.77 74.35 13.16 2.07 3.04 0.87 0.00 1.66 4.85 57 P C C 83.18 3.28 13.90 18.14 100.84 -111.60 -63.80 -11.81 60.70 1.78 37.52 27.29 10.06 24.00 23.17 13.53 0.03 0.89 1.02 58 S H H 50.83 7.49 11.36 20.29 94.22 61.62 -69.85 -22.33 36.89 1.07 62.03 13.50 5.92 16.96 39.46 23.00 0.07 0.56 0.53 59 Q H H 87.00 7.05 11.68 20.24 93.14 68.68 -66.99 -29.20 17.33 0.60 82.07 4.46 2.83 8.92 51.33 31.86 0.06 0.35 0.19 60 I H H 108.31 2.51 13.95 17.14 92.89 59.34 -68.50 -32.69 19.08 0.70 80.21 3.31 2.70 11.45 51.76 29.97 0.15 0.42 0.24 61 W H H 144.06 4.07 12.78 18.09 97.71 46.54 -88.46 -14.02 33.15 2.16 64.70 7.09 6.28 19.06 42.42 22.42 0.57 1.17 0.98 62 C C H 45.84 10.14 8.60 19.75 110.59 90.97 -82.49 118.60 48.19 3.89 47.91 26.63 12.13 10.69 31.72 14.97 0.13 1.72 2.01 63 K H T 151.53 1.94 13.45 16.27 96.20 -142.11 -70.66 -24.97 48.53 1.08 50.39 9.15 8.07 29.49 28.85 23.05 0.15 0.57 0.67 64 N C T 112.36 2.35 13.37 16.53 98.62 55.10 -87.47 0.39 51.02 1.29 47.69 11.30 7.65 30.61 26.81 22.08 0.11 0.70 0.75 65 F C C 95.93 9.24 9.52 19.70 106.84 100.53 -88.21 91.61 62.66 2.88 34.46 33.21 16.51 14.12 23.63 9.61 0.06 1.26 1.59 66 G C C 40.66 5.00 13.58 19.82 115.38 63.11 61.99 -135.99 80.89 1.71 17.40 51.18 14.88 14.45 13.89 3.91 0.00 0.82 0.87 67 T C C 81.42 4.59 13.05 18.89 108.23 -46.26 -86.77 72.00 70.16 1.27 28.57 48.83 11.80 8.66 25.57 3.95 0.00 0.55 0.64 68 K H H 107.57 5.93 11.65 19.01 99.87 82.92 -72.71 -26.45 42.61 0.69 56.69 27.87 7.38 8.19 50.87 5.06 0.01 0.32 0.30 69 D H H 86.45 3.29 12.42 16.88 94.67 66.54 -66.53 -36.84 25.11 0.53 74.36 15.36 4.31 6.70 66.30 6.86 0.01 0.28 0.19 70 D H H 83.86 2.86 12.11 16.10 93.87 54.63 -67.75 -36.56 16.28 0.47 83.25 9.43 2.74 5.15 73.89 8.34 0.01 0.29 0.15 71 Y H H 115.16 4.02 10.01 15.82 93.78 53.69 -67.76 -37.26 13.85 0.48 85.67 7.25 2.47 4.98 76.04 8.79 0.02 0.30 0.15 72 E H H 116.96 2.74 10.11 14.32 93.77 54.98 -68.25 -35.48 18.11 0.55 81.33 8.45 3.19 7.37 72.46 7.98 0.03 0.31 0.20 73 K H H 146.16 1.48 9.30 11.64 95.77 54.63 -73.95 -25.01 30.63 0.94 68.44 13.40 5.27 13.60 61.06 5.73 0.05 0.46 0.44 74 E C H 137.92 1.87 8.69 11.82 98.95 59.70 -80.19 -7.10 55.88 0.68 43.43 34.50 2.03 18.72 41.38 2.68 0.00 0.29 0.40 75 H C C 137.35 2.97 9.72 14.28 104.70 69.82 -85.14 53.09 99.79 0.03 0.18 99.36 0.14 0.32 0.15 0.01 0.00 0.01 0.01