# 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 78.34 3.91 9.83 15.53 114.17 -134.02 -86.51 137.67 99.79 0.18 0.03 99.69 0.12 0.05 0.01 0.00 0.00 0.09 0.02 1 V C C 114.66 2.31 7.66 11.80 114.96 -148.32 -96.60 130.16 86.98 8.11 4.91 83.80 1.49 2.21 2.76 1.51 0.00 5.03 3.20 2 Q C C 140.04 1.80 6.99 10.55 114.27 -132.60 -90.07 132.37 82.28 10.69 7.03 68.84 7.80 5.36 3.03 3.85 0.00 7.83 3.29 3 Q C C 141.17 1.72 7.70 11.10 114.65 -143.03 -92.79 128.97 83.60 9.49 6.91 64.10 11.57 7.72 2.57 4.30 0.00 7.10 2.65 4 N C C 121.90 2.33 8.13 12.17 114.78 -149.52 -96.47 132.08 83.57 11.07 5.36 59.59 16.50 7.38 1.98 3.46 0.01 7.32 3.75 5 K C C 139.12 2.79 8.88 13.74 119.13 -148.51 -101.79 138.98 89.61 8.82 1.57 68.36 19.99 1.67 0.95 0.67 0.00 5.45 2.92 6 P C C 82.85 4.63 8.90 15.57 114.90 -108.72 -68.59 148.25 90.42 6.48 3.10 81.13 7.06 2.00 2.33 0.90 0.00 3.72 2.85 7 T C C 72.95 3.61 9.70 15.08 117.23 -113.22 -77.79 160.05 90.06 3.73 6.21 80.83 6.71 1.98 5.58 1.04 0.00 1.48 2.38 8 R H H 183.51 1.14 10.08 11.99 92.25 -107.96 -59.99 -34.85 38.29 1.07 60.64 10.28 8.48 20.05 47.47 12.50 0.14 0.60 0.47 9 S H H 82.35 1.16 10.30 11.74 92.98 56.58 -68.68 -34.79 37.38 1.38 61.24 9.02 7.43 21.26 47.09 13.73 0.12 0.89 0.46 10 K H H 121.29 3.24 9.75 14.41 96.29 50.15 -74.28 -22.08 31.53 2.47 66.00 13.21 6.91 12.57 48.86 16.02 0.12 1.60 0.72 11 R H H 144.15 3.23 9.84 14.75 96.07 74.40 -68.06 -33.66 32.83 1.22 65.95 8.22 5.14 19.83 55.97 9.45 0.15 0.79 0.46 12 G H H 54.04 1.48 11.88 13.59 96.05 40.21 -54.62 -17.43 42.56 1.03 56.41 9.08 5.98 27.71 47.96 8.07 0.15 0.62 0.43 13 M H H 116.63 2.98 10.53 14.86 99.69 68.62 -80.91 -17.21 44.98 2.84 52.18 25.52 9.31 12.02 43.47 7.01 0.06 1.63 0.97 14 R C H 143.61 4.11 10.05 15.81 104.90 80.82 -82.61 51.41 46.89 7.06 46.05 29.40 8.89 10.51 38.74 5.98 0.09 4.13 2.27 15 R C C 157.50 2.60 11.29 15.07 103.84 56.60 -83.64 8.71 55.24 5.53 39.23 36.86 9.07 10.13 33.58 5.27 0.04 3.23 1.83 16 S C C 68.24 3.42 10.95 15.72 107.60 69.94 -85.59 80.91 55.52 2.39 42.09 36.93 9.76 9.70 35.25 6.20 0.02 1.25 0.90 17 H H H 125.63 4.05 10.70 16.18 97.90 -116.19 -72.96 -25.03 42.56 1.72 55.72 18.85 9.32 15.77 41.39 12.92 0.09 0.98 0.68 18 D H H 102.99 2.32 12.21 15.44 96.20 61.83 -72.47 -23.86 42.25 1.51 56.25 17.85 8.73 16.65 41.51 13.72 0.09 0.82 0.62 19 A H H 65.44 3.64 11.32 16.36 95.19 60.16 -70.77 -28.87 43.98 2.39 53.63 23.97 8.40 13.10 39.84 12.36 0.06 1.37 0.89 20 L C H 90.57 6.43 9.81 17.72 97.12 62.97 -77.47 -20.04 50.14 4.44 45.42 32.18 9.28 10.64 35.75 7.99 0.08 2.45 1.63 21 T C C 93.15 3.56 12.46 17.22 99.87 70.02 -81.21 -17.47 59.32 3.73 36.95 35.38 11.23 13.44 30.06 6.39 0.05 2.08 1.36 22 A C C 75.16 3.21 12.59 16.95 99.80 64.25 -81.71 -12.99 71.22 3.43 25.35 39.80 18.44 13.09 19.47 5.99 0.03 1.85 1.33 23 V C C 86.76 6.24 10.99 18.64 109.36 60.86 -89.68 112.39 79.32 5.65 15.04 59.41 11.15 8.42 11.01 4.45 0.01 3.62 1.93 24 T C C 85.37 6.08 11.99 19.49 108.46 74.78 -96.06 76.58 81.68 10.73 7.59 64.47 10.72 6.30 4.64 2.97 0.00 8.74 2.15 25 S C C 69.95 3.96 14.60 19.68 116.05 94.06 -101.76 132.54 73.20 23.66 3.14 58.62 8.96 4.61 1.02 1.96 0.00 23.11 1.72 26 L E E 89.10 9.65 11.42 22.09 118.18 -139.02 -93.66 136.78 47.74 51.96 0.30 43.80 2.93 0.38 0.09 0.20 0.00 51.59 1.01 27 S E E 51.02 5.68 15.80 23.02 132.98 172.35 -131.72 160.61 8.10 91.75 0.15 7.22 0.95 0.17 0.05 0.09 0.00 90.94 0.58 28 V E E 89.87 5.60 14.11 21.43 117.85 -114.76 -99.62 133.90 3.41 96.52 0.07 3.23 0.26 0.03 0.07 0.03 0.00 88.49 7.89 29 D C C 33.97 12.09 8.14 21.52 109.09 -119.07 -75.47 123.52 84.59 15.37 0.03 84.77 0.53 0.08 0.01 0.02 0.00 13.82 0.77 30 K C T 166.55 1.06 13.07 14.26 93.33 -149.66 -68.21 -24.99 99.77 0.10 0.13 0.53 5.25 94.02 0.01 0.10 0.00 0.07 0.02 31 T C T 105.95 1.35 12.17 13.75 98.48 44.95 -78.64 -38.48 99.84 0.04 0.12 0.10 2.77 97.03 0.00 0.07 0.00 0.02 0.01 32 S C T 59.53 3.89 11.05 16.52 101.45 22.70 -104.54 -15.76 99.82 0.08 0.11 0.66 4.36 94.84 0.00 0.09 0.00 0.04 0.01 33 G C C 51.18 2.68 12.34 16.48 95.27 -122.22 79.62 6.47 99.21 0.73 0.05 87.24 7.95 4.04 0.01 0.05 0.00 0.40 0.31 34 E C C 92.17 4.31 12.66 19.00 119.64 138.05 -81.35 148.50 95.12 4.87 0.01 92.45 2.86 0.07 0.00 0.01 0.00 4.34 0.26 35 K E E 127.05 4.65 15.64 21.87 115.88 -114.39 -83.29 136.12 2.73 97.26 0.00 2.75 0.14 0.01 0.00 0.00 0.00 95.57 1.53 36 H E E 45.36 13.79 11.56 26.17 131.89 174.85 -133.07 155.61 2.14 97.86 0.00 2.08 0.08 0.00 0.00 0.00 0.00 97.28 0.55 37 L E E 75.31 5.56 17.87 24.35 116.99 -104.29 -75.63 149.59 42.44 57.39 0.17 38.78 1.84 0.60 0.01 0.21 0.00 57.48 1.08 38 R C T 113.96 9.75 14.93 25.36 108.76 -94.49 -61.85 137.40 95.62 3.16 1.22 4.67 14.72 76.15 0.06 1.36 0.00 2.68 0.36 39 H C T 113.75 7.11 17.15 25.08 94.94 15.75 71.03 11.50 96.21 2.66 1.13 5.79 15.91 74.25 0.06 1.34 0.00 2.36 0.29 40 H C C 76.91 8.16 16.64 26.12 126.52 106.19 -109.28 148.80 68.16 31.04 0.80 45.10 21.95 2.77 0.15 0.83 0.00 25.41 3.79 41 I E B 68.74 10.04 14.50 25.98 117.88 -129.17 -96.90 135.25 29.20 70.63 0.17 26.35 1.79 0.19 0.11 0.08 0.00 33.27 38.21 42 T C C 31.59 10.14 12.21 24.23 123.60 -136.66 -86.06 167.49 77.36 22.50 0.15 75.66 1.66 0.30 0.04 0.09 0.00 18.40 3.83 43 A C T 87.15 2.97 13.63 17.86 90.83 -103.25 -62.50 -23.38 95.21 3.70 1.09 2.95 11.35 80.92 0.06 1.15 0.00 3.10 0.47 44 D C T 106.98 1.79 14.30 16.32 93.70 55.92 -89.04 0.20 97.66 1.24 1.09 1.77 11.77 84.20 0.06 1.11 0.00 0.90 0.20 45 G C S 29.44 8.20 13.03 22.77 100.60 -101.24 90.34 4.06 79.17 19.07 1.77 22.63 49.14 8.43 0.23 1.66 0.00 15.26 2.64 46 Y C C 96.98 7.17 13.65 22.52 119.41 133.18 -92.00 142.21 53.46 45.89 0.65 45.44 5.89 1.30 0.31 0.38 0.00 32.77 13.92 47 Y E C 80.84 11.62 10.82 23.40 116.51 -155.07 -109.57 122.00 48.80 50.06 1.14 38.73 5.93 2.17 0.53 0.75 0.01 35.75 16.12 48 R C T 157.71 3.91 13.69 19.10 102.75 -147.44 -12.25 75.26 77.44 19.46 3.10 19.03 12.82 46.55 0.67 2.34 0.01 16.18 2.40 49 G C T 59.44 1.96 12.97 15.76 96.59 -39.78 80.84 1.85 87.83 8.73 3.43 11.83 22.58 53.71 0.51 2.99 0.00 7.40 0.97 50 R C C 140.60 3.41 11.01 16.46 122.61 113.37 -106.37 146.24 67.98 28.51 3.51 38.55 24.04 6.86 0.96 2.58 0.02 24.49 2.50 51 K E E 149.78 2.39 12.74 16.56 112.72 -108.77 -76.85 132.03 42.73 55.79 1.48 36.58 3.67 1.42 0.64 0.90 0.00 51.95 4.83 52 V E E 80.02 8.84 8.22 17.96 112.96 -145.11 -93.19 126.33 36.37 62.39 1.24 31.12 3.22 0.99 0.76 0.64 0.00 57.22 6.03 53 I C C 114.72 3.70 9.61 15.02 115.08 -146.93 -98.84 129.56 56.08 43.22 0.70 53.06 1.38 0.72 0.30 0.31 0.00 41.19 3.03 54 A C C 82.38 2.99 12.29 16.75 112.71 -123.02 -84.79 133.51 99.10 0.88 0.02 98.93 0.19 0.07 0.01 0.00 0.00 0.76 0.03