# 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 M C C 133.15 2.94 10.66 15.10 116.69 -152.93 -94.37 137.85 99.93 0.07 0.01 99.88 0.06 0.02 0.00 0.00 0.00 0.03 0.01 1 A C C 85.03 2.58 7.74 12.23 113.45 -124.71 -84.58 135.73 92.00 7.71 0.29 91.18 1.07 0.58 0.13 0.09 0.00 3.72 3.23 2 V C C 111.31 2.37 7.21 11.53 117.08 -146.65 -101.97 131.67 91.84 7.92 0.25 73.49 18.40 0.48 0.13 0.12 0.00 4.21 3.17 3 P C C 95.26 2.95 7.73 12.71 114.07 -109.14 -66.68 147.87 94.36 4.42 1.22 88.01 4.64 1.84 0.44 0.63 0.00 2.92 1.52 4 K C C 166.62 1.28 8.24 10.64 110.76 -121.47 -79.96 135.98 91.94 3.65 4.41 75.11 11.52 4.95 1.62 2.77 0.00 1.87 2.17 5 R C C 177.89 1.67 7.65 10.85 113.19 -122.56 -92.13 129.91 89.96 4.23 5.81 58.11 23.06 8.74 2.05 3.72 0.00 2.29 2.01 6 R C C 182.21 1.38 8.08 10.83 112.70 -150.58 -93.53 129.09 87.38 6.30 6.32 64.82 15.76 6.52 2.99 3.28 0.00 3.39 3.24 7 M C C 109.14 4.67 6.85 13.39 117.55 -143.10 -93.39 142.87 92.08 4.35 3.57 77.64 12.53 1.59 2.87 0.86 0.00 1.89 2.62 8 S C C 64.83 2.06 10.29 13.37 118.11 -117.16 -77.65 158.90 93.57 2.32 4.11 88.39 4.33 0.77 3.85 0.43 0.00 0.87 1.36 9 R H H 181.34 1.21 9.78 11.83 92.64 -107.15 -60.73 -36.44 14.50 0.20 85.30 4.52 3.01 7.85 80.00 4.40 0.04 0.09 0.08 10 A H H 77.40 1.03 11.16 11.91 92.52 54.58 -66.10 -38.84 15.02 0.39 84.59 5.08 2.48 8.75 77.89 5.37 0.05 0.25 0.13 11 N H H 82.05 2.72 10.91 14.86 94.26 50.09 -71.39 -34.88 13.01 0.96 86.03 7.23 2.57 5.16 77.68 6.39 0.04 0.70 0.23 12 T H H 65.03 3.92 10.26 15.99 93.32 54.94 -65.67 -40.78 9.81 0.80 89.38 5.43 1.86 3.94 84.84 3.12 0.04 0.56 0.20 13 R H H 155.78 1.28 12.75 13.82 92.99 51.40 -66.55 -38.48 12.69 0.76 86.55 5.50 1.96 6.29 82.23 3.23 0.06 0.52 0.22 14 S H H 70.13 1.67 12.23 14.06 94.03 51.54 -68.41 -36.53 19.36 0.59 80.04 7.27 3.01 9.92 76.10 3.07 0.06 0.34 0.22 15 R H H 137.69 2.94 11.00 15.17 95.12 55.67 -70.94 -32.97 30.64 0.86 68.51 12.66 5.47 13.74 63.96 3.32 0.05 0.41 0.38 16 R H H 144.55 2.71 10.78 14.71 96.19 57.62 -75.00 -23.10 40.60 1.08 58.32 20.72 6.32 14.97 51.41 5.49 0.03 0.50 0.56 17 A H H 71.67 2.56 10.12 14.03 97.62 66.35 -71.32 -26.68 45.53 0.91 53.57 18.65 7.02 19.33 38.32 15.74 0.03 0.46 0.46 18 Q C H 133.94 1.70 10.26 12.77 97.24 61.71 -79.81 -11.66 53.18 1.06 45.76 18.55 8.92 25.33 29.23 16.86 0.04 0.52 0.57 19 W C C 171.36 3.21 9.15 14.00 102.44 71.16 -87.38 5.33 61.93 2.46 35.61 31.28 13.04 18.03 22.39 12.84 0.03 1.21 1.18 20 K C C 146.36 2.29 10.52 14.40 112.68 101.54 -92.29 129.14 77.51 6.22 16.28 56.85 9.95 9.92 12.00 4.75 0.01 3.16 3.37 21 A C C 69.28 5.73 8.08 15.59 114.90 -130.86 -84.09 141.88 85.45 6.90 7.65 67.34 11.42 6.03 5.20 2.71 0.00 3.82 3.49 22 E C C 149.08 1.59 12.44 14.87 114.51 -130.95 -91.52 135.10 88.71 8.14 3.15 68.82 15.67 3.22 1.87 1.28 0.00 3.49 5.65 23 A C C 76.86 4.22 10.16 16.47 114.95 -103.66 -76.41 139.96 97.70 2.08 0.22 78.04 19.28 0.59 0.09 0.11 0.00 1.11 0.78 24 P C C 79.88 7.07 9.82 18.54 112.04 -106.44 -69.96 149.24 98.00 1.69 0.31 89.19 6.89 1.97 0.05 0.26 0.00 1.29 0.34 25 G C C 48.30 2.73 15.04 18.26 118.53 -124.91 -91.89 164.64 83.76 15.95 0.29 70.64 10.75 1.69 0.05 0.32 0.00 15.19 1.38 26 L E E 98.25 8.03 10.49 20.05 119.06 -109.85 -97.46 136.95 44.72 55.22 0.05 42.31 2.15 0.11 0.01 0.04 0.00 54.48 0.91 27 V E E 67.35 6.42 13.85 22.20 124.82 -171.44 -125.30 144.09 3.87 96.12 0.01 3.55 0.22 0.01 0.00 0.00 0.00 96.01 0.20 28 T E E 89.28 3.77 15.00 20.16 113.94 -112.43 -76.48 135.86 2.16 97.83 0.01 2.20 0.05 0.00 0.01 0.00 0.00 96.24 1.50 29 V C C 31.28 13.57 7.37 21.50 111.37 -133.79 -88.59 121.89 54.69 45.20 0.11 53.72 0.98 0.12 0.02 0.06 0.00 43.72 1.37 30 S C T 87.66 1.53 13.85 15.58 94.52 -151.47 -70.60 -28.39 97.15 1.60 1.26 5.07 11.28 80.71 0.07 1.31 0.00 1.34 0.23 31 V C T 104.41 2.81 11.97 15.72 98.11 46.87 -78.66 -38.92 98.38 0.64 0.99 0.53 4.73 93.39 0.04 0.77 0.00 0.34 0.19 32 A C T 64.17 3.63 11.67 16.50 101.21 24.19 -102.40 -12.01 99.10 0.23 0.67 0.77 4.35 94.03 0.02 0.65 0.00 0.13 0.04 33 G C C 51.82 2.70 12.43 16.37 96.29 -116.82 80.25 7.45 97.16 2.47 0.37 52.21 11.52 33.35 0.06 0.37 0.00 2.10 0.38 34 Q C C 85.70 5.46 11.45 18.95 119.00 141.21 -84.85 146.55 72.46 27.38 0.16 65.95 5.12 0.58 0.04 0.11 0.00 27.05 1.15 35 Q E E 112.26 4.71 14.51 20.93 117.68 -129.26 -97.37 135.68 7.72 92.17 0.11 7.19 0.51 0.11 0.05 0.05 0.00 88.69 3.39 36 R E E 78.33 12.27 10.83 23.87 122.43 -164.05 -111.69 138.68 12.79 87.07 0.15 11.74 0.82 0.18 0.05 0.07 0.00 86.37 0.77 37 K E E 122.58 4.60 14.99 20.98 110.33 -152.72 -95.74 98.05 40.14 59.41 0.45 32.27 7.12 0.93 0.14 0.31 0.00 57.58 1.66 38 V C C 60.46 8.33 12.13 22.10 121.13 -18.36 -108.40 135.95 73.96 19.56 6.49 43.34 17.36 12.93 3.41 3.18 0.01 17.97 1.78 39 P C T 76.75 6.40 13.85 21.31 100.98 -80.31 -67.52 30.21 85.29 3.79 10.92 28.50 20.52 36.36 6.30 4.69 0.01 2.78 0.84 40 R C C 133.11 6.60 13.71 21.34 102.18 52.54 -86.60 20.37 76.48 8.07 15.44 29.80 18.61 28.96 8.38 6.65 0.05 5.79 1.76 41 R C C 127.18 6.11 15.20 22.40 111.07 74.16 -97.41 114.45 51.85 30.78 17.37 32.01 12.08 9.03 11.95 5.58 0.19 23.44 5.71 42 L E E 65.75 10.32 13.72 24.98 115.08 -116.38 -86.67 138.21 38.46 44.76 16.78 26.48 7.00 4.29 13.61 4.04 0.24 31.18 13.15 43 L C C 48.46 11.02 12.76 25.10 113.12 -115.82 -79.46 139.71 52.82 28.09 19.09 43.05 5.44 3.43 15.36 3.94 0.03 24.29 4.47 44 K C T 131.50 3.08 16.94 20.52 93.96 -119.40 -63.03 -35.59 46.65 11.52 41.82 9.08 8.16 29.38 27.80 13.75 0.75 9.15 1.94 45 A H H 51.74 5.23 15.00 21.61 92.81 52.69 -67.36 -34.10 43.02 11.81 45.18 8.80 6.82 27.02 30.89 14.35 0.66 9.60 1.86 46 A H H 30.79 12.76 10.75 24.02 95.60 53.55 -73.72 -27.57 30.57 22.04 47.39 13.83 6.82 11.79 28.75 17.53 0.51 17.59 3.19 47 R H H 153.30 3.96 14.83 20.15 95.32 57.00 -64.74 -23.26 36.54 25.81 37.65 11.97 7.21 18.88 24.88 12.46 0.71 20.38 3.50 48 L C T 114.20 2.79 14.07 17.48 97.26 50.80 -83.09 -2.85 52.62 16.60 30.78 9.18 9.22 34.38 18.85 12.33 0.60 12.48 2.95 49 G C T 44.17 5.86 13.22 20.35 101.22 -101.72 79.85 5.90 74.62 14.50 10.89 18.02 17.10 40.67 5.47 4.91 0.08 11.54 2.21 50 L C C 91.93 5.90 13.00 20.23 101.19 121.26 -82.79 -17.12 62.28 31.10 6.62 36.43 18.48 7.79 4.26 2.75 0.13 21.65 8.52 51 V C C 60.11 10.17 9.89 21.06 118.97 64.20 -105.02 133.20 66.24 28.08 5.68 48.89 13.70 3.18 4.24 2.01 0.10 18.59 9.29 52 D C C 79.46 3.84 13.28 18.41 110.46 -144.71 -89.09 120.59 86.79 8.91 4.30 81.42 3.81 1.63 2.63 1.55 0.00 6.87 2.09 53 L C G 104.20 5.61 9.03 16.47 95.39 -152.63 -66.99 -23.68 53.65 2.90 43.44 19.21 8.46 25.95 6.11 37.56 0.02 1.88 0.82 54 D C G 122.63 1.00 10.05 11.28 95.96 63.93 -76.40 -11.95 56.78 1.73 41.49 12.90 9.17 34.15 5.75 36.32 0.02 0.99 0.69 55 K C C 144.88 2.15 8.25 11.94 101.18 69.90 -85.30 0.76 58.74 1.74 39.51 37.23 5.30 16.22 4.80 34.79 0.00 1.04 0.61 56 R C C 149.95 4.45 8.97 15.30 108.48 114.75 -85.00 100.22 99.78 0.11 0.12 99.50 0.20 0.16 0.05 0.01 0.00 0.04 0.03