# 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 114.22 5.09 11.75 18.36 117.10 -163.85 -102.98 128.58 99.23 0.59 0.18 99.26 0.13 0.09 0.11 0.01 0.00 0.33 0.06 1 W C C 176.23 2.95 8.99 13.54 114.12 -147.31 -92.25 124.82 65.34 19.06 15.61 57.38 1.70 5.24 13.85 2.38 0.00 13.67 5.78 2 L C C 122.22 2.15 7.90 11.52 104.92 -150.87 -80.35 10.23 62.26 15.06 22.68 38.20 12.06 11.44 19.78 3.90 0.08 11.36 3.18 3 L H H 122.22 1.87 8.75 11.67 100.32 72.64 -78.37 -17.83 46.65 6.25 47.09 26.20 11.66 9.28 42.94 4.03 0.09 4.48 1.31 4 G H H 46.06 2.37 10.07 13.55 99.64 57.75 -63.61 -45.38 27.73 2.28 70.00 16.63 5.48 7.38 63.25 5.10 0.07 1.61 0.49 5 P H H 91.63 2.24 10.50 13.77 97.97 48.08 -72.58 -33.93 21.11 2.74 76.15 14.27 3.01 5.50 68.83 5.60 0.06 2.29 0.44 6 L H H 105.77 2.66 10.77 14.60 95.84 54.81 -69.08 -37.00 11.45 5.04 83.52 7.62 2.13 3.57 74.69 6.50 0.08 4.92 0.49 7 C H H 81.28 2.86 11.22 15.24 96.22 54.88 -69.51 -37.47 10.47 8.89 80.64 6.69 1.77 3.18 73.96 4.81 0.09 8.83 0.67 8 L H H 109.69 2.29 11.92 15.08 96.76 53.86 -70.54 -37.40 11.08 11.31 77.60 6.45 1.74 3.61 72.26 3.99 0.13 10.98 0.84 9 L H H 108.94 2.55 11.88 15.44 98.09 54.88 -71.71 -35.91 12.84 10.43 76.74 7.09 1.94 4.34 72.54 3.28 0.16 9.70 0.95 10 L H H 106.06 3.36 11.58 16.18 99.92 53.96 -78.16 -21.15 18.72 8.42 72.87 10.11 2.63 6.29 69.38 2.97 0.16 7.45 1.01 11 S H H 73.43 3.30 11.66 16.20 101.33 57.11 -79.68 -8.77 25.40 6.34 68.25 12.51 3.68 9.42 64.59 3.29 0.13 5.55 0.84 12 S H H 77.13 2.79 12.04 15.99 102.36 54.77 -80.29 -8.08 30.68 5.35 63.97 12.78 5.48 13.26 58.54 4.40 0.19 4.45 0.91 13 A H H 73.92 3.38 11.70 16.42 103.12 56.73 -80.79 9.76 34.79 6.53 58.68 15.24 6.48 14.22 52.14 5.21 0.21 5.31 1.18 14 A H H 67.46 5.61 10.62 17.72 108.34 66.05 -85.94 85.84 37.84 9.13 53.03 18.84 7.08 13.44 45.14 6.32 0.23 7.33 1.61 15 E H H 131.27 3.50 12.54 17.47 106.35 54.49 -86.81 28.12 41.68 10.97 47.35 18.89 8.26 15.76 37.95 8.13 0.37 8.63 2.00 16 S C H 73.08 5.31 12.33 18.98 108.06 68.91 -90.57 76.68 54.45 10.51 35.04 22.45 11.20 21.30 26.63 8.18 0.31 7.89 2.03 17 Q C C 107.24 6.07 13.92 21.35 113.72 87.62 -96.10 124.25 63.17 14.97 21.86 32.31 14.54 16.80 15.26 6.88 0.21 11.31 2.71 18 L C C 94.00 8.26 13.37 22.89 115.22 -142.69 -90.02 131.73 70.31 21.02 8.68 48.39 15.12 5.74 6.21 3.21 0.08 12.14 9.11 19 L C C 75.59 9.93 12.08 23.28 117.05 -135.32 -92.04 134.56 88.59 9.68 1.72 71.78 13.62 2.73 0.87 0.93 0.00 6.64 3.42 20 P C T 93.61 4.54 14.21 20.24 110.87 -105.25 -63.91 142.15 91.27 4.63 4.10 37.18 12.73 41.86 1.12 2.72 0.00 3.12 1.26 21 G C T 54.25 3.32 14.74 19.08 105.89 18.99 85.49 -3.58 91.21 4.27 4.52 28.96 18.45 44.28 0.97 3.39 0.00 2.70 1.24 22 N C C 76.35 10.62 11.93 23.06 113.79 122.71 -96.32 125.96 86.55 6.15 7.30 48.04 23.01 15.47 1.72 5.83 0.00 3.31 2.60 23 N C C 100.48 5.41 17.09 23.41 104.05 -168.05 -99.31 26.35 80.57 8.99 10.44 43.37 20.96 17.02 3.21 7.05 0.02 5.31 3.07 24 F C C 78.61 14.56 12.91 27.11 109.52 127.05 -87.34 109.82 67.23 15.27 17.50 36.84 16.58 14.99 6.44 10.54 0.09 9.86 4.66 25 T C C 66.80 8.67 16.82 26.26 111.54 129.07 -99.84 117.16 59.92 19.12 20.96 36.10 13.19 11.76 8.33 12.25 0.11 13.75 4.50 26 N C C 89.35 8.47 17.37 26.37 106.73 51.25 -95.25 21.12 56.20 21.30 22.50 30.55 16.21 11.88 8.05 13.24 0.18 16.17 3.74 27 E C C 103.33 7.23 19.33 27.26 119.43 63.55 -106.51 137.68 51.80 27.31 20.89 30.12 12.70 10.67 8.00 12.24 0.30 19.73 6.24 28 C C C 27.65 18.92 12.44 30.60 114.16 -137.03 -91.72 127.09 67.70 23.55 8.75 49.86 10.30 7.13 3.56 5.38 0.08 17.32 6.38 29 N C C 103.69 5.05 19.85 25.64 100.43 -159.58 -95.44 27.94 78.85 18.89 2.25 52.31 19.91 6.71 0.66 1.80 0.01 13.73 4.87 30 I C S 54.18 11.90 13.50 26.63 116.72 114.83 -105.92 122.71 81.13 18.00 0.87 32.34 43.67 5.28 0.28 0.67 0.01 10.69 7.07 31 P C T 89.91 4.73 17.23 22.94 110.51 -103.62 -61.98 138.45 94.53 2.05 3.41 8.28 10.72 75.08 0.34 3.50 0.00 1.59 0.49 32 G C T 43.11 6.56 17.51 24.92 97.54 15.48 84.67 -4.11 94.95 1.75 3.30 7.22 12.76 74.40 0.25 3.59 0.00 1.45 0.32 33 N C C 59.30 12.50 18.28 30.75 118.36 79.65 -118.85 121.07 77.28 19.64 3.08 44.08 19.24 14.15 0.33 3.47 0.00 15.95 2.77 34 F E E 24.18 19.92 17.52 37.16 123.45 89.34 -118.29 137.29 41.26 58.49 0.24 36.12 4.56 0.66 0.07 0.20 0.00 54.98 3.40 35 M E E 61.24 11.10 23.65 35.10 120.30 -159.63 -104.61 135.59 10.04 89.77 0.20 8.45 0.67 0.12 0.16 0.07 0.00 61.94 28.59 36 C C C 12.37 19.99 14.37 34.43 121.78 -146.15 -93.95 161.38 83.84 15.99 0.17 82.01 1.51 0.35 0.03 0.12 0.00 14.53 1.44 37 S C T 64.47 7.86 18.80 27.13 94.56 -106.66 -66.80 -22.30 91.89 6.62 1.49 8.12 12.52 71.20 0.10 1.67 0.00 5.57 0.83 38 N C T 103.87 3.84 19.72 23.93 94.17 48.26 -88.87 6.55 97.89 0.65 1.46 1.67 13.02 82.95 0.07 1.69 0.00 0.47 0.13 39 G C S 26.95 12.03 15.15 27.63 96.64 -100.43 86.21 6.22 96.29 2.33 1.38 15.80 75.16 5.39 0.08 1.35 0.00 1.76 0.46 40 R C C 111.41 6.60 21.62 29.11 121.68 122.36 -99.01 144.67 74.96 24.85 0.19 67.13 6.80 0.56 0.06 0.17 0.00 20.89 4.39 41 C E B 22.96 19.03 15.28 34.12 120.10 -131.31 -95.61 140.33 7.01 92.91 0.08 5.74 0.50 0.05 0.07 0.03 0.00 41.43 52.17 42 I C C 38.09 12.68 18.06 32.07 114.56 -131.47 -92.43 127.42 79.37 20.44 0.19 76.92 2.13 0.35 0.04 0.16 0.00 18.88 1.52 43 P C T 71.71 9.28 16.45 26.61 110.34 -101.00 -59.98 136.76 83.80 3.60 12.60 5.61 7.40 68.72 0.58 14.17 0.00 3.04 0.47 44 G C T 54.25 3.50 18.19 22.16 94.63 14.26 80.52 -3.41 84.38 1.35 14.27 4.00 7.00 71.08 0.68 15.96 0.00 0.97 0.31 45 A C C 47.09 10.06 17.81 28.33 107.29 75.90 -110.65 -8.85 76.08 4.10 19.81 33.73 21.74 18.41 1.18 21.26 0.00 2.59 1.09 46 W C C 60.44 17.31 16.17 32.77 122.55 33.98 -111.37 141.74 74.48 21.46 4.06 58.67 10.55 4.38 1.76 2.51 0.01 10.91 11.21 47 Q E C 78.21 9.17 22.13 31.64 124.45 -143.35 -114.16 144.21 48.54 48.85 2.60 39.41 4.95 2.25 1.29 1.46 0.03 20.60 30.02 48 C C C 18.88 20.59 13.45 33.71 114.77 -137.12 -98.25 124.53 73.41 22.35 4.23 42.54 11.90 19.07 1.00 3.58 0.04 14.05 7.81 49 D C T 86.33 8.05 18.29 26.80 96.91 -27.28 44.60 39.23 95.61 2.72 1.66 5.51 13.71 76.12 0.24 1.61 0.00 2.07 0.74 50 G C T 53.57 3.39 17.62 21.80 95.86 -61.43 83.08 2.13 97.74 1.05 1.21 6.16 23.50 67.89 0.09 1.32 0.00 0.77 0.27 51 L C C 61.47 10.95 14.19 26.39 121.68 115.83 -100.52 138.84 81.29 18.28 0.43 50.06 30.30 1.18 0.19 0.28 0.00 7.74 10.25 52 P C C 63.99 8.02 19.00 27.85 112.35 -104.29 -66.51 147.70 78.64 15.80 5.56 52.78 13.27 12.36 1.53 4.34 0.02 10.92 4.78 53 D C C 53.70 13.15 17.69 30.89 109.35 -105.52 -77.10 120.50 77.31 14.44 8.25 45.98 15.13 15.85 2.26 6.17 0.04 7.61 6.97 54 C C C 22.18 16.71 14.85 31.74 105.63 -156.20 -92.45 42.39 78.48 12.45 9.07 54.65 11.12 11.52 3.06 6.13 0.02 6.22 7.29 55 F C T 92.76 10.78 16.99 28.03 97.83 83.54 -73.76 -20.90 82.79 6.30 10.90 25.22 24.95 33.44 3.34 6.73 0.07 3.21 3.04 56 D C T 89.11 4.80 17.21 22.61 101.43 46.34 -92.18 20.71 84.78 2.84 12.38 15.22 31.87 38.42 4.15 7.15 0.04 1.35 1.80 57 K C S 133.42 6.44 14.67 22.43 94.93 -105.62 43.77 18.38 76.00 3.75 20.26 19.88 30.17 27.28 7.82 10.73 0.08 1.66 2.37 58 S C C 54.80 6.52 15.09 22.71 105.80 121.35 -92.36 -11.08 65.47 7.23 27.31 27.12 16.02 23.71 10.93 14.91 0.18 3.54 3.60 59 D C C 54.33 10.25 14.96 25.99 101.98 -1.96 -84.21 15.22 58.01 8.79 33.20 31.56 11.28 16.28 13.90 18.08 0.23 4.58 4.09 60 E H G 73.94 15.01 12.27 26.72 95.61 108.63 -68.95 -20.12 47.47 4.30 48.23 22.03 8.36 17.96 13.94 33.45 0.08 2.54 1.64 61 K C T 151.48 2.12 17.52 20.09 94.45 67.48 -70.81 -21.94 52.19 2.16 45.65 8.47 8.20 34.58 13.08 33.03 0.20 1.29 1.14 62 E C T 125.28 4.06 17.24 22.00 98.47 48.25 -93.07 3.37 57.30 2.49 40.21 10.29 10.25 36.66 9.82 30.06 0.14 1.43 1.34 63 C C C 22.54 20.26 9.20 28.24 116.56 107.79 -86.12 135.34 95.30 3.34 1.37 53.30 41.07 1.12 0.77 0.50 0.00 1.25 1.99 64 P C C 61.41 6.56 18.01 25.74 114.84 -113.21 -66.88 151.67 87.62 5.72 6.67 69.62 8.57 9.22 2.30 4.23 0.00 4.16 1.89 65 K C C 134.30 5.17 18.04 24.58 112.15 -101.24 -72.31 139.00 72.23 18.80 8.98 49.43 11.99 10.53 3.17 5.78 0.05 11.60 7.44 66 A C C 35.75 16.82 9.96 25.93 113.85 -123.77 -81.82 138.18 68.71 23.96 7.33 52.52 9.56 4.91 3.54 4.05 0.03 13.68 11.71 67 K C C 133.61 4.05 14.95 20.49 115.30 -152.41 -101.30 132.94 76.86 16.94 6.20 56.14 13.94 6.24 2.82 3.51 0.02 10.75 6.57 68 S C C 69.27 6.39 10.07 18.04 113.98 -122.30 -83.74 141.74 90.18 6.91 2.91 79.86 5.79 4.54 1.25 1.49 0.00 4.60 2.46 69 K C C 157.45 2.24 13.36 16.81 104.31 -129.23 -82.81 35.65 99.78 0.19 0.03 99.60 0.17 0.09 0.01 0.00 0.00 0.10 0.02