# 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 40.31 4.84 14.12 20.29 126.93 -135.41 129.52 152.56 99.91 0.08 0.00 99.72 0.20 0.03 0.00 0.00 0.00 0.04 0.01 1 P C C 101.03 3.72 11.52 16.92 113.00 -59.19 -73.79 143.93 87.46 3.25 9.29 74.02 2.59 11.85 2.75 5.35 0.00 2.13 1.31 2 T C C 93.32 4.34 9.13 15.36 115.08 -139.72 -94.58 131.77 81.94 7.08 10.98 50.64 13.00 18.21 3.03 7.92 0.01 4.26 2.92 3 A C C 76.49 4.43 9.91 16.22 112.75 -147.16 -94.33 133.78 76.17 8.36 15.48 42.71 16.66 17.43 4.50 10.61 0.02 4.98 3.10 4 N C C 109.46 4.32 11.20 17.16 107.85 -151.67 -93.41 82.93 77.28 6.17 16.56 41.63 18.78 17.70 5.72 10.22 0.02 3.46 2.47 5 S C C 68.58 6.00 10.76 18.30 109.92 132.24 -92.84 108.84 73.00 5.93 21.07 39.19 19.08 15.65 7.14 13.16 0.03 3.21 2.54 6 D C C 99.66 5.00 11.95 18.45 105.97 135.70 -90.04 53.35 67.34 6.59 26.07 35.10 19.60 13.86 6.93 18.15 0.03 3.67 2.67 7 S C C 71.18 5.42 13.53 20.37 110.52 96.93 -89.47 110.89 70.09 7.14 22.77 41.42 16.55 12.83 5.19 17.21 0.01 4.55 2.24 8 E C C 123.32 4.96 15.95 22.21 114.09 -122.82 -89.85 131.07 72.08 11.23 16.69 45.84 16.07 9.66 3.77 12.80 0.03 5.79 6.03 9 C C C 30.95 18.21 9.28 26.40 116.72 -117.62 -83.81 139.23 95.34 4.02 0.64 70.22 24.38 0.63 0.34 0.27 0.00 1.68 2.48 10 P C C 58.97 6.14 15.00 22.87 113.89 -105.38 -66.16 151.49 95.60 1.19 3.21 89.26 3.50 3.01 0.91 2.04 0.00 0.60 0.67 11 L C T 130.34 2.94 12.95 17.51 94.69 -109.16 -64.13 -24.60 77.35 1.01 21.64 10.17 12.23 53.58 2.36 20.50 0.00 0.56 0.59 12 S C T 80.07 2.57 14.23 17.46 100.04 56.69 -85.84 -1.26 77.38 1.31 21.31 10.29 11.34 54.43 2.40 20.15 0.00 0.78 0.61 13 H C C 82.44 12.67 10.74 23.30 103.04 50.60 -82.08 38.66 70.78 4.45 24.78 32.10 21.05 17.74 2.94 21.82 0.01 2.15 2.18 14 D C T 102.91 3.55 16.73 21.44 107.38 142.55 -81.63 103.52 84.39 3.72 11.89 24.76 21.97 38.22 1.90 9.64 0.01 2.15 1.35 15 G C T 36.45 8.96 17.70 27.00 102.04 14.39 83.56 -0.91 83.29 10.14 6.56 24.19 28.45 31.62 0.71 5.86 0.01 7.73 1.42 16 Y C C 70.26 13.46 19.44 32.91 117.14 108.19 -103.59 134.98 62.58 34.46 2.96 47.49 11.19 3.57 0.94 2.41 0.01 27.13 7.26 17 C E E 16.44 20.73 15.92 36.05 120.18 -154.77 -109.50 133.97 40.55 58.52 0.93 35.48 2.99 0.64 0.54 0.48 0.00 37.24 22.63 18 L C C 51.88 12.04 20.35 32.66 124.86 -159.86 -106.11 147.78 68.77 29.70 1.52 58.65 5.94 3.79 0.55 1.11 0.01 22.83 7.11 19 H C T 107.08 7.97 19.52 28.10 96.76 -6.47 52.59 50.05 94.61 3.99 1.40 1.39 7.92 85.93 0.10 1.17 0.00 2.75 0.74 20 D C T 101.84 4.72 20.55 26.01 93.83 -47.06 65.82 22.42 98.17 0.84 0.99 1.47 10.25 86.43 0.05 1.00 0.00 0.67 0.12 21 G C E 9.44 18.32 14.05 32.26 129.23 116.17 -100.84 168.99 63.24 36.46 0.30 32.80 29.02 3.31 0.03 0.32 0.00 32.97 1.54 22 V E E 52.01 8.73 25.13 34.76 121.85 -117.85 -112.74 136.88 10.23 89.76 0.01 9.88 0.31 0.01 0.00 0.01 0.00 89.11 0.67 23 C E E 12.60 22.65 16.26 38.84 121.53 -152.19 -108.71 133.82 3.06 96.93 0.00 2.76 0.10 0.00 0.00 0.00 0.00 97.06 0.07 24 M E E 53.77 10.11 23.04 33.91 126.56 -172.38 -126.17 140.04 0.43 99.57 0.00 0.39 0.02 0.00 0.00 0.00 0.00 99.58 0.01 25 Y E E 80.23 11.82 16.32 29.28 114.65 -130.57 -92.30 127.61 0.98 99.01 0.01 0.87 0.04 0.00 0.00 0.00 0.00 99.03 0.04 26 I E E 35.28 10.33 12.15 25.04 111.38 -156.66 -105.76 112.15 13.92 85.91 0.17 12.84 0.76 0.16 0.04 0.10 0.00 85.54 0.56 27 E C T 135.03 2.64 12.79 16.98 94.48 -160.92 -66.78 -32.36 68.96 1.80 29.24 1.96 4.68 59.51 0.65 31.47 0.00 1.52 0.20 28 A C T 91.88 0.84 12.48 12.77 92.46 53.95 -68.08 -33.28 73.16 0.74 26.09 1.84 4.17 64.21 0.74 28.35 0.00 0.51 0.18 29 L C T 87.62 4.48 10.21 16.41 98.19 34.97 -99.76 -5.49 74.73 0.38 24.89 3.20 7.84 59.77 0.68 28.14 0.00 0.23 0.13 30 D C T 115.26 2.61 13.61 17.89 94.60 -127.15 56.85 39.96 99.24 0.41 0.35 5.17 6.56 87.52 0.03 0.32 0.00 0.36 0.05 31 K E E 88.44 5.68 17.09 24.45 136.30 100.98 -137.26 159.63 13.54 86.43 0.03 9.73 2.70 0.38 0.00 0.03 0.00 86.86 0.29 32 Y E E 59.26 16.06 15.33 31.63 119.58 -115.42 -95.97 137.19 1.86 98.14 0.00 1.63 0.07 0.00 0.00 0.00 0.00 98.28 0.03 33 A E E 21.08 12.39 21.76 35.18 134.73 -175.50 -136.15 155.85 0.39 99.61 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 34 C E E 11.83 22.05 17.02 38.99 123.42 -145.34 -114.25 137.03 1.76 98.24 0.00 1.58 0.05 0.00 0.00 0.00 0.00 98.31 0.06 35 N E E 69.52 8.67 25.77 34.60 112.95 -159.87 -108.23 116.16 17.75 82.23 0.01 14.82 2.50 0.06 0.00 0.01 0.00 82.15 0.45 36 C C C 22.13 20.09 14.12 33.56 119.18 -156.31 -88.91 145.92 50.75 49.22 0.03 50.54 1.49 0.05 0.01 0.02 0.00 43.79 4.11 37 V C C 50.91 9.13 17.70 28.06 117.50 -112.08 -74.47 153.94 88.91 10.91 0.18 86.31 2.77 0.46 0.05 0.14 0.00 6.53 3.75 38 V C T 109.71 3.78 16.97 22.06 109.65 -74.73 -59.89 133.39 98.57 0.86 0.57 0.36 4.22 94.28 0.03 0.43 0.00 0.45 0.22 39 G C T 48.98 3.38 17.60 21.42 95.67 20.09 87.01 -4.81 99.34 0.37 0.30 0.68 3.89 94.82 0.01 0.30 0.00 0.25 0.04 40 Y C C 63.47 13.57 11.23 25.52 121.90 110.43 -97.69 144.30 62.47 37.20 0.32 56.18 5.51 0.61 0.12 0.23 0.00 22.76 14.59 41 I C C 87.32 6.61 15.84 24.13 129.99 -173.37 -134.21 149.36 52.13 47.56 0.31 45.33 5.34 0.56 0.18 0.17 0.00 30.08 18.33 42 G C S 29.91 5.17 17.38 23.72 131.65 42.06 105.86 -167.16 77.18 20.51 2.31 16.03 41.47 20.48 0.60 1.78 0.06 14.40 5.19 43 E C T 144.50 2.63 16.14 19.79 93.24 -56.90 -67.24 -28.02 91.63 1.15 7.22 1.86 16.44 73.44 0.86 6.13 0.01 0.68 0.58 44 R C T 128.24 6.49 16.92 24.15 96.25 44.84 -86.37 -0.87 91.02 0.80 8.18 1.78 10.19 78.85 1.09 7.20 0.00 0.51 0.37 45 C C T 24.38 18.50 12.94 30.75 97.94 -80.58 67.44 31.11 73.63 14.94 11.43 15.05 14.45 44.98 2.36 8.94 0.35 10.28 3.59 46 Q C C 91.72 5.98 19.09 25.84 107.86 149.30 -84.61 114.51 50.56 46.26 3.17 37.89 6.78 5.24 1.96 1.72 0.03 36.43 9.94 47 Y E E 92.36 12.40 13.16 25.84 117.09 98.97 -101.83 129.98 37.37 58.57 4.07 29.61 4.22 1.89 3.41 1.47 0.03 38.42 20.95 48 R C C 135.95 6.19 14.91 22.37 109.94 -173.26 -102.36 67.78 69.02 23.02 7.96 56.69 7.49 3.82 5.27 3.13 0.01 20.71 2.89 49 D C C 81.50 4.88 14.56 20.54 108.80 45.39 -94.98 101.32 80.84 8.42 10.74 69.03 7.05 4.29 6.97 4.02 0.00 6.70 1.92 50 L C C 69.33 11.29 9.72 21.65 98.47 -153.31 -78.01 -8.09 52.07 2.84 45.09 34.69 6.40 10.33 21.09 24.73 0.01 2.05 0.71 51 K H G 132.48 2.46 13.61 17.06 94.49 91.86 -66.68 -29.97 32.79 2.65 64.56 12.11 5.54 14.43 27.51 37.78 0.07 2.00 0.56 52 W H G 134.62 4.55 11.45 17.60 95.09 60.93 -72.36 -27.89 23.92 2.67 73.42 8.68 4.00 10.81 30.85 43.00 0.05 2.18 0.43 53 W H G 119.33 7.72 9.05 18.02 99.31 62.24 -79.12 -16.73 28.36 4.53 67.11 14.39 5.20 9.16 32.29 34.65 0.06 3.34 0.91 54 E H H 122.14 3.25 10.06 14.83 101.35 72.98 -78.80 3.80 44.92 7.34 47.74 23.31 7.41 14.13 26.84 21.14 0.14 4.77 2.26 55 L C C 121.69 2.59 8.36 12.47 105.03 58.03 -82.83 33.75 65.50 3.51 30.99 49.47 2.16 15.17 21.67 7.79 0.01 2.22 1.49 56 R C C 155.20 3.58 10.61 15.96 109.49 79.72 -91.04 105.75 99.73 0.16 0.11 99.56 0.12 0.12 0.09 0.01 0.00 0.09 0.02