# 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 79.12 3.89 10.83 16.27 113.09 -134.16 -84.90 133.68 99.92 0.07 0.00 99.84 0.10 0.02 0.00 0.00 0.00 0.03 0.01 1 V C C 105.47 3.30 8.05 13.34 117.78 -143.00 -99.82 131.49 95.65 4.06 0.29 94.23 1.62 0.25 0.16 0.07 0.00 1.84 1.84 2 P C C 98.81 2.57 8.17 12.64 114.44 -108.05 -66.81 147.47 93.17 3.79 3.04 84.39 5.09 3.85 1.03 1.71 0.00 2.65 1.28 3 A C C 92.86 1.63 7.78 10.95 111.21 -114.97 -77.32 136.48 87.48 5.89 6.63 69.46 11.51 6.45 2.41 4.12 0.00 3.70 2.34 4 R C C 174.73 1.95 7.71 11.46 117.15 -123.16 -98.21 134.79 82.01 9.79 8.21 63.49 12.51 5.79 3.65 4.61 0.01 6.49 3.45 5 R C C 174.79 1.84 8.26 11.84 116.45 -145.09 -96.24 135.30 81.84 10.36 7.81 65.49 11.27 4.58 5.14 2.93 0.01 6.44 4.14 6 T C C 85.77 4.50 7.57 13.98 118.19 -146.26 -98.59 145.28 87.90 6.16 5.94 72.70 12.55 2.51 5.21 1.24 0.00 3.44 2.35 7 S C C 61.45 2.58 9.91 13.89 118.85 -119.39 -80.12 160.42 86.77 3.57 9.67 74.75 9.67 1.66 10.00 0.83 0.00 1.66 1.44 8 K H H 160.52 1.17 10.41 12.27 92.64 -108.68 -61.49 -35.76 15.63 0.36 84.01 5.93 4.16 6.66 79.86 3.06 0.03 0.18 0.12 9 A H H 73.90 1.30 11.12 12.54 92.86 53.19 -65.82 -39.34 14.65 0.52 84.83 5.58 2.99 7.09 80.30 3.53 0.04 0.32 0.14 10 K H H 107.94 2.94 10.89 15.16 93.57 49.49 -67.92 -38.35 11.50 0.83 87.68 6.04 2.28 4.56 82.08 4.24 0.03 0.61 0.17 11 K H H 111.09 3.36 10.90 15.81 92.48 54.59 -64.38 -40.72 9.81 0.57 89.63 4.81 1.70 4.11 85.49 3.34 0.02 0.39 0.12 12 A H H 72.67 1.64 12.06 14.06 93.04 51.77 -66.46 -36.31 15.48 0.56 83.96 5.59 2.14 8.25 80.14 3.32 0.05 0.37 0.15 13 K H H 138.19 1.85 11.94 14.34 94.21 53.57 -71.36 -31.30 25.09 0.68 74.23 8.60 3.74 13.34 70.43 3.22 0.05 0.37 0.25 14 R H H 139.16 3.99 9.92 15.52 98.74 61.53 -78.15 -17.77 41.79 1.67 56.53 19.22 7.56 15.84 52.83 2.99 0.05 0.77 0.74 15 R C C 154.41 2.83 10.29 14.61 104.23 72.06 -82.61 60.65 61.20 3.19 35.61 37.64 9.06 14.20 32.71 3.40 0.03 1.47 1.48 16 T C C 88.15 3.55 9.51 14.71 107.16 91.52 -88.92 68.84 73.66 2.11 24.24 43.13 12.24 17.62 19.86 5.10 0.01 1.04 1.01 17 H C C 142.83 2.42 10.03 13.64 100.86 66.09 -86.22 -0.63 77.88 1.89 20.23 37.54 18.64 22.02 12.60 7.37 0.01 0.95 0.87 18 Y C C 155.35 3.46 9.78 14.88 109.20 83.31 -93.46 98.98 80.64 2.86 16.50 44.12 20.26 16.64 8.28 7.87 0.01 1.60 1.22 19 K C C 144.66 2.71 10.84 15.18 114.52 -150.39 -95.60 129.29 82.53 6.40 11.07 59.11 12.56 10.72 5.30 5.85 0.00 4.33 2.14 20 L C C 95.75 7.68 9.09 18.04 116.16 -149.28 -95.54 131.76 86.00 8.86 5.13 73.52 8.43 3.66 2.75 2.42 0.00 6.08 3.14 21 T C C 102.70 2.46 13.22 16.99 114.48 -155.96 -101.49 125.06 88.14 8.45 3.41 76.62 8.11 2.81 1.81 1.61 0.00 5.68 3.36 22 I C C 86.49 9.26 8.45 18.63 116.42 -156.49 -101.56 128.92 89.26 5.13 5.61 75.90 10.38 2.76 1.02 4.60 0.00 3.24 2.09 23 K C T 160.78 1.49 13.06 15.05 112.01 -130.43 -77.54 134.29 89.90 4.33 5.77 26.90 13.67 49.83 0.63 4.87 0.00 3.22 0.88 24 G C T 48.70 3.15 14.64 18.49 107.85 14.72 86.99 -0.69 90.65 5.12 4.22 23.98 16.37 50.40 0.23 3.91 0.00 4.72 0.39 25 L C C 72.82 12.63 9.70 22.45 120.47 131.31 -95.06 138.41 63.62 36.22 0.16 59.68 2.73 0.27 0.03 0.13 0.00 36.39 0.78 26 N E E 74.78 5.34 17.12 23.87 130.58 -177.01 -129.15 153.62 6.33 93.62 0.05 5.93 0.48 0.05 0.02 0.03 0.00 92.62 0.88 27 A E E 70.64 5.17 16.45 22.97 115.09 -105.00 -76.73 140.10 3.76 96.20 0.04 3.67 0.16 0.01 0.03 0.01 0.00 87.23 8.88 28 C C C 18.31 16.73 7.89 24.70 109.31 -114.71 -71.58 126.40 93.00 6.98 0.03 93.41 0.40 0.07 0.00 0.01 0.00 5.62 0.48 29 S C T 91.28 1.30 15.30 16.43 93.48 -147.42 -68.83 -24.65 99.60 0.17 0.23 1.11 10.35 88.13 0.00 0.25 0.00 0.12 0.03 30 N C T 114.01 2.29 13.36 16.44 99.71 43.56 -83.86 -36.30 99.76 0.06 0.18 0.11 4.36 95.35 0.00 0.13 0.00 0.02 0.02 31 C C T 65.96 5.01 11.86 18.48 103.39 18.42 -109.20 -13.88 99.76 0.09 0.15 0.50 6.11 93.17 0.00 0.14 0.00 0.05 0.02 32 G C C 48.14 3.58 13.25 18.46 95.38 -121.28 80.11 6.12 99.29 0.66 0.05 86.62 10.63 2.03 0.01 0.05 0.00 0.37 0.30 33 E C C 89.26 4.85 13.91 20.67 119.87 135.97 -79.84 148.77 96.53 3.45 0.01 93.73 3.19 0.06 0.00 0.01 0.00 2.66 0.35 34 M E E 103.47 6.57 16.07 23.95 113.99 -109.93 -78.56 136.99 2.71 97.28 0.01 2.66 0.12 0.01 0.00 0.00 0.00 92.86 4.35 35 K E E 59.61 13.38 12.50 26.50 132.40 175.51 -134.41 155.52 4.77 95.22 0.01 4.76 0.17 0.01 0.00 0.00 0.00 93.85 1.20 36 K C C 97.90 5.47 17.89 24.15 117.14 -102.47 -72.58 151.34 55.86 43.87 0.27 52.52 2.42 0.58 0.04 0.28 0.00 42.53 1.64 37 S C T 58.01 9.54 15.57 25.76 102.44 -92.55 -61.69 141.32 95.96 2.84 1.20 4.22 16.25 75.17 0.04 1.56 0.00 2.39 0.37 38 H C T 112.49 7.54 17.92 26.03 95.47 34.47 69.39 8.53 96.35 2.58 1.07 5.15 14.71 75.94 0.04 1.47 0.00 2.48 0.21 39 H C C 76.36 9.55 18.37 28.69 126.36 96.76 -112.97 147.12 65.50 34.02 0.49 40.60 24.16 1.89 0.06 0.55 0.00 29.49 3.25 40 V E B 45.79 12.55 17.15 30.58 121.88 -131.43 -109.47 137.16 9.96 89.99 0.05 9.00 0.57 0.02 0.05 0.01 0.00 32.50 57.86 41 C C C 16.14 15.52 13.29 30.23 110.23 -113.02 -76.13 124.18 84.42 15.55 0.04 85.42 0.59 0.06 0.01 0.01 0.00 12.14 1.77 42 P C T 89.10 5.55 16.84 23.84 92.38 -139.80 -64.02 -25.68 99.04 0.26 0.70 0.29 2.23 96.47 0.01 0.79 0.00 0.17 0.04 43 A C T 78.82 2.54 17.61 20.35 96.72 50.94 -78.13 -33.69 99.21 0.08 0.70 0.07 1.32 97.85 0.00 0.70 0.00 0.04 0.02 44 C C T 54.50 7.33 15.30 24.09 102.66 22.73 -109.28 -12.91 99.37 0.16 0.47 0.71 4.43 94.07 0.00 0.63 0.00 0.11 0.04 45 G C C 18.77 10.99 14.92 27.52 97.60 -117.46 82.26 8.55 88.04 11.80 0.16 80.18 3.77 4.01 0.04 0.11 0.00 10.86 1.04 46 H E E 65.97 7.88 17.18 26.63 125.80 132.31 -107.86 148.90 3.82 96.17 0.01 3.83 0.15 0.01 0.01 0.00 0.00 89.44 6.55 47 Y E E 59.68 14.92 11.75 27.04 122.32 -167.66 -131.86 126.28 4.14 95.79 0.06 2.75 0.89 0.46 0.02 0.05 0.00 91.79 4.04 48 D C T 116.20 2.53 14.94 18.58 92.22 -13.98 53.80 41.06 99.71 0.17 0.12 0.28 2.63 96.84 0.00 0.10 0.00 0.12 0.02 49 G C T 61.92 1.52 13.78 15.69 93.78 -52.41 79.33 3.86 99.82 0.07 0.11 0.34 3.26 96.24 0.00 0.11 0.00 0.05 0.01 50 K E E 122.21 3.05 13.92 18.65 122.62 111.97 -108.64 141.21 7.15 92.76 0.09 3.89 3.28 0.43 0.03 0.05 0.00 86.87 5.44 51 D E E 85.89 5.87 14.04 21.60 109.16 -110.93 -71.90 127.41 12.36 87.54 0.10 11.47 0.61 0.10 0.06 0.05 0.00 83.14 4.57 52 V C C 49.80 12.45 12.05 25.31 100.25 -170.55 -89.11 -20.87 80.50 15.84 3.66 47.38 21.39 11.67 0.77 3.00 0.00 14.52 1.26 53 M C C 81.71 9.80 11.11 21.71 117.35 58.30 -114.13 127.28 78.35 15.59 6.05 33.98 26.91 18.62 1.22 4.61 0.02 11.94 2.70 54 S C C 79.57 3.04 11.23 16.04 116.51 -154.02 -99.03 135.59 85.87 10.19 3.94 75.18 3.93 6.68 0.99 2.77 0.00 8.37 2.09 55 K C C 152.83 3.05 11.88 16.73 107.86 -121.89 -84.15 112.31 99.79 0.19 0.02 99.72 0.11 0.04 0.01 0.00 0.00 0.10 0.02