# 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 P C C 79.12 6.25 14.90 22.37 115.18 -99.64 -69.92 149.51 99.98 0.02 0.00 99.82 0.14 0.03 0.00 0.00 0.00 0.01 0.00 1 D C C 101.36 5.27 13.19 20.21 109.82 -108.19 -76.44 131.61 94.39 4.36 1.25 88.18 1.54 4.88 0.13 1.27 0.00 2.44 1.56 2 V C C 90.71 6.94 13.27 21.45 113.94 -162.14 -100.12 122.50 81.51 16.92 1.57 57.98 17.57 5.37 0.31 1.61 0.00 8.11 9.06 3 G C C 26.35 11.19 14.78 26.42 131.38 88.33 150.96 174.53 90.16 9.71 0.13 60.03 30.08 0.85 0.03 0.12 0.00 6.93 1.96 4 P C C 44.03 14.12 13.69 28.16 116.95 -70.33 -71.79 153.00 94.29 5.55 0.16 89.73 4.33 0.47 0.04 0.13 0.00 3.37 1.92 5 K C C 134.48 3.14 19.82 23.65 120.69 -120.59 -90.09 146.86 97.69 2.16 0.15 95.63 1.67 0.39 0.04 0.07 0.00 0.78 1.41 6 R C T 137.87 8.36 12.82 22.56 110.91 -91.23 -61.31 137.24 98.28 1.43 0.29 0.74 3.50 94.42 0.02 0.21 0.00 0.87 0.23 7 G C T 46.63 3.55 17.78 22.16 96.49 24.54 89.16 -6.20 99.09 0.80 0.11 1.20 4.02 93.96 0.00 0.11 0.00 0.67 0.04 8 T C C 43.06 10.52 14.22 26.47 118.60 132.87 -74.40 147.17 90.74 9.23 0.03 89.06 1.55 0.07 0.00 0.02 0.00 8.99 0.31 9 Q E E 96.95 7.09 20.36 28.20 117.76 -127.57 -93.11 135.62 4.44 95.53 0.02 4.28 0.22 0.02 0.01 0.01 0.00 94.42 1.04 10 V E E 16.05 21.59 14.19 36.03 129.93 -172.61 -126.67 145.36 3.79 96.15 0.06 3.39 0.25 0.06 0.01 0.04 0.00 96.14 0.10 11 R E E 105.23 7.15 23.06 30.77 116.82 -135.50 -100.41 130.48 3.98 95.75 0.26 3.45 0.41 0.15 0.06 0.15 0.00 95.66 0.13 12 I E E 29.69 18.99 13.63 32.91 110.64 -132.06 -87.56 122.22 11.73 88.00 0.27 10.52 0.99 0.21 0.06 0.19 0.00 87.46 0.59 13 L C C 76.72 7.35 18.35 26.84 98.92 -175.76 -85.70 -28.87 72.24 27.46 0.30 42.18 27.78 1.96 0.04 0.31 0.00 27.02 0.72 14 R C S 94.86 7.36 15.45 24.11 121.20 37.60 -126.08 127.73 85.59 12.91 1.50 34.09 45.82 6.27 0.35 1.10 0.01 10.29 2.07 15 P C T 87.94 7.00 13.80 22.26 93.81 -136.84 -63.07 -26.66 87.67 2.15 10.18 17.42 17.80 52.07 1.29 9.33 0.00 1.34 0.74 16 E C T 133.80 2.66 16.72 19.65 94.72 59.65 -82.92 -3.42 85.05 2.11 12.84 15.43 17.60 51.71 1.85 11.25 0.00 1.24 0.90 17 S C C 24.95 14.43 11.62 26.76 108.60 91.24 -85.36 112.44 78.31 6.04 15.65 39.56 22.88 16.36 2.74 12.62 0.01 3.20 2.61 18 Y C T 107.83 9.16 17.55 27.64 97.05 -149.48 -71.51 -3.01 72.30 11.81 15.88 23.22 22.80 28.51 3.31 11.13 0.10 7.66 3.26 19 W C T 68.67 14.70 16.27 31.17 97.42 91.49 -79.33 -21.54 62.06 23.37 14.57 16.30 20.46 28.11 3.52 9.73 0.43 16.58 4.87 20 F C C 62.90 14.16 14.74 29.03 105.52 59.21 -96.20 79.03 57.46 29.28 13.26 33.62 12.57 12.07 4.43 8.66 0.11 22.15 6.40 21 R C C 141.99 5.82 18.03 24.71 100.80 108.04 -85.00 13.23 70.50 24.29 5.21 39.70 21.08 10.62 2.10 2.94 0.02 21.23 2.31 22 E C S 101.78 5.44 18.37 24.61 127.44 67.95 -116.84 158.78 63.47 33.62 2.91 17.26 36.91 10.17 0.78 1.81 0.04 31.21 1.83 23 T E E 74.37 8.78 16.75 26.33 118.91 -99.95 -86.68 140.43 42.11 55.77 2.12 32.26 7.08 2.49 0.86 1.11 0.00 54.98 1.20 24 G E E 16.55 13.87 15.95 30.41 139.93 167.72 -152.86 172.93 18.47 80.45 1.08 15.19 2.38 0.63 0.60 0.40 0.00 80.00 0.80 25 K E E 101.11 6.93 22.44 30.02 125.51 -102.41 -114.96 143.11 6.04 92.64 1.32 4.88 0.66 0.23 1.22 0.28 0.00 92.20 0.52 26 V E E 32.34 19.41 14.72 33.64 110.58 -133.79 -85.72 125.61 6.14 89.48 4.38 4.55 0.87 0.45 3.35 1.04 0.00 89.50 0.24 27 V E E 54.40 9.61 19.22 29.59 119.17 47.52 -116.68 144.74 9.81 84.54 5.65 7.00 1.67 0.74 4.02 1.43 0.00 84.84 0.31 28 S E E 47.60 8.44 18.94 28.29 125.54 -134.92 -121.32 146.38 12.78 81.54 5.68 9.12 2.26 1.13 3.50 1.78 0.00 81.70 0.51 29 V E E 52.10 12.60 12.33 25.76 120.96 -154.85 -113.77 135.42 21.20 73.26 5.54 17.15 3.34 1.37 4.71 1.49 0.01 68.42 3.50 30 D C C 72.29 5.92 12.27 19.91 114.27 -140.09 -91.04 135.93 66.08 30.55 3.37 58.71 4.13 1.98 1.80 1.29 0.00 30.49 1.61 31 Q C T 140.03 2.71 10.59 14.91 96.28 -149.52 -75.01 -13.43 76.51 16.33 7.16 18.49 17.89 41.56 2.12 4.34 0.03 13.63 1.93 32 S C T 88.16 1.14 11.51 12.68 96.12 58.09 -87.74 1.50 92.29 2.71 5.00 12.25 19.62 60.48 1.05 3.86 0.00 1.97 0.76 33 G C S 56.60 2.24 11.43 14.76 97.36 -101.24 82.71 6.42 95.70 2.38 1.92 25.68 40.65 29.23 0.18 2.01 0.00 1.68 0.55 34 I C C 79.04 6.12 9.11 17.38 116.44 133.11 -89.78 135.96 86.67 12.52 0.81 63.46 17.73 5.19 0.18 0.79 0.00 9.63 3.01 35 R C C 165.88 3.11 13.54 18.03 102.13 -150.18 -88.64 -3.33 66.41 32.94 0.66 40.69 24.14 3.13 0.21 0.59 0.01 22.75 8.49 36 Y C C 106.60 7.00 14.06 22.61 124.25 69.72 -119.53 139.51 74.24 25.56 0.19 38.71 35.04 1.44 0.04 0.18 0.00 23.11 1.49 37 P C C 68.79 8.06 16.49 25.46 114.25 -107.69 -70.50 144.97 69.71 30.12 0.16 55.50 11.88 0.78 0.03 0.16 0.00 30.87 0.78 38 V E E 32.52 16.43 13.91 30.69 124.35 -163.22 -120.04 137.03 14.00 85.80 0.20 11.80 2.20 0.28 0.09 0.11 0.00 84.00 1.52 39 V E E 66.26 8.19 20.80 29.88 117.08 -148.14 -105.71 126.59 6.96 92.90 0.14 5.97 1.01 0.18 0.05 0.08 0.00 92.05 0.66 40 V E E 25.10 18.78 14.85 33.76 120.52 -166.15 -112.62 130.07 13.65 85.99 0.35 11.84 1.67 0.31 0.17 0.15 0.00 85.29 0.58 41 R E E 114.27 6.47 20.74 28.01 118.73 -159.49 -107.10 130.01 32.88 66.68 0.44 28.09 3.48 0.60 0.13 0.27 0.00 66.55 0.87 42 F C C 45.84 17.03 10.90 27.63 117.50 -156.99 -101.24 128.89 63.13 35.05 1.82 57.49 3.52 1.24 0.53 1.23 0.00 33.90 2.10 43 E C S 131.37 3.04 17.10 20.83 98.87 -162.73 -83.58 -24.87 77.93 19.43 2.65 24.79 37.34 16.39 0.40 2.20 0.01 17.47 1.39 44 K C S 135.66 2.96 16.23 19.83 115.40 12.61 -126.52 118.02 72.07 25.34 2.59 24.45 31.87 17.16 0.35 2.31 0.01 21.90 1.95 45 V C C 60.66 13.73 9.56 23.05 118.84 -169.15 -108.40 130.95 67.73 30.09 2.18 52.07 11.27 3.81 0.64 1.75 0.00 26.11 4.34 46 N C C 109.38 3.04 14.80 18.84 110.82 -170.38 -108.48 101.97 73.16 25.43 1.41 56.52 11.07 4.82 0.36 1.23 0.00 22.45 3.55 47 Y C C 107.30 9.07 9.48 19.71 115.57 130.50 -117.73 117.28 68.36 28.81 2.82 47.89 13.77 6.11 0.92 2.19 0.01 20.79 8.32 48 A C T 89.64 1.99 12.04 15.37 111.31 -131.00 -77.25 126.97 79.44 17.03 3.53 17.09 15.91 47.39 0.87 2.55 0.02 13.20 2.96 49 G C T 64.22 0.95 13.97 14.33 97.12 11.14 79.92 2.76 87.13 10.25 2.62 15.24 24.12 48.08 0.42 2.11 0.01 8.77 1.25 50 V C C 61.68 10.41 8.71 20.09 119.45 121.78 -99.05 137.06 66.63 30.98 2.39 48.90 13.17 3.33 1.18 1.53 0.02 20.33 11.56 51 S C C 61.87 4.19 16.05 21.06 117.28 -143.56 -91.97 142.06 73.59 22.43 3.98 61.53 6.86 3.72 1.97 2.16 0.00 17.08 6.68 52 T C C 69.19 11.91 11.68 23.79 95.83 -129.15 -74.32 -13.96 60.33 7.94 31.73 25.91 13.39 23.23 8.87 20.96 0.12 4.88 2.63 53 N C T 109.64 3.85 16.54 21.29 95.73 68.39 -79.56 -9.87 60.11 4.27 35.61 14.64 14.28 32.18 10.92 23.34 0.22 2.48 1.95 54 N C G 85.19 7.08 16.24 24.25 100.16 59.58 -93.06 2.23 57.33 5.65 37.02 21.51 14.28 23.89 10.75 24.00 0.17 3.07 2.33 55 Y C C 56.47 16.79 12.52 29.03 120.18 85.88 -105.96 136.96 64.34 16.13 19.53 42.63 12.97 7.92 10.35 9.19 0.19 7.74 9.01 56 A C C 36.07 8.13 19.36 28.58 122.95 -163.64 -102.27 152.01 75.13 9.43 15.44 65.69 7.03 2.59 8.60 6.68 0.00 5.77 3.64 57 L H G 81.26 13.02 14.14 27.25 93.40 -117.30 -61.69 -29.75 9.23 1.38 89.40 2.27 1.68 5.58 3.75 85.28 0.00 1.36 0.07 58 D H G 114.14 1.94 19.06 20.90 93.22 62.56 -73.28 -14.01 9.75 1.71 88.54 1.85 1.60 6.43 3.31 84.93 0.00 1.80 0.07 59 E H G 65.52 11.50 15.24 27.70 96.14 61.02 -89.89 -4.94 12.20 2.18 85.61 3.49 2.40 6.33 2.10 83.33 0.00 2.28 0.07 60 V E E 30.29 19.96 10.75 29.96 118.52 92.42 -96.71 132.28 14.92 82.96 2.11 12.21 3.18 0.87 0.91 1.18 0.01 80.15 1.50 61 V E E 81.05 5.53 17.74 24.53 123.10 -166.95 -118.03 137.12 6.11 93.49 0.40 5.31 0.66 0.23 0.22 0.19 0.00 92.73 0.67 62 A E E 75.08 5.94 13.00 20.87 113.63 -114.80 -75.78 136.72 11.12 88.64 0.24 10.67 0.37 0.16 0.12 0.10 0.00 87.62 0.97 63 A C C 67.08 7.61 12.02 20.80 111.78 -132.28 -80.25 139.00 99.33 0.66 0.01 99.38 0.06 0.02 0.00 0.00 0.00 0.53 0.01