# 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 105.43 7.27 19.33 26.97 111.64 109.71 -92.95 111.24 99.92 0.08 0.00 99.86 0.08 0.01 0.00 0.00 0.00 0.03 0.01 1 V C C 31.77 19.26 10.32 28.58 119.84 -147.91 -101.93 136.02 83.68 16.25 0.07 84.69 0.43 0.04 0.04 0.02 0.00 2.96 11.82 2 Q C C 117.49 2.34 20.05 22.27 123.53 -150.96 -102.39 150.11 97.88 2.05 0.07 97.67 0.62 0.10 0.02 0.02 0.00 0.81 0.76 3 R C T 144.03 7.51 12.84 21.96 110.49 -89.80 -59.59 134.98 99.19 0.66 0.15 0.27 1.72 97.47 0.01 0.09 0.00 0.37 0.07 4 G C T 46.60 3.48 17.70 22.00 96.77 23.99 89.66 -6.44 99.68 0.26 0.06 0.29 1.75 97.70 0.00 0.05 0.00 0.20 0.01 5 S C C 31.13 11.10 13.78 26.72 119.14 132.94 -71.75 149.01 94.29 5.70 0.01 93.48 0.89 0.04 0.00 0.01 0.00 5.42 0.16 6 K E E 112.42 6.60 20.91 28.43 117.33 -126.59 -96.04 132.87 3.64 96.32 0.05 3.54 0.15 0.02 0.02 0.02 0.00 94.72 1.53 7 V E E 10.72 22.51 14.37 36.88 130.97 -173.80 -127.54 148.10 3.94 95.74 0.32 3.68 0.24 0.09 0.14 0.11 0.00 95.62 0.12 8 K E E 88.42 7.48 24.04 31.98 117.71 -135.08 -102.91 132.86 4.54 94.70 0.76 3.97 0.44 0.23 0.30 0.33 0.00 94.56 0.16 9 I E E 20.70 20.57 14.15 34.88 111.15 -131.22 -86.13 121.72 13.21 86.49 0.30 12.15 0.98 0.21 0.08 0.17 0.00 85.75 0.67 10 L C C 77.03 7.61 19.77 28.28 98.67 -174.27 -86.03 -25.71 72.35 27.29 0.36 48.50 21.89 1.31 0.05 0.35 0.00 27.23 0.68 11 R C C 83.98 9.69 14.69 25.63 114.45 49.48 -119.41 115.75 85.10 13.34 1.56 42.66 39.10 4.36 0.39 1.12 0.01 10.32 2.05 12 P C T 86.87 6.66 14.39 22.69 93.70 -153.54 -64.24 -26.75 91.22 3.70 5.08 25.66 23.97 41.71 0.60 4.74 0.00 2.42 0.91 13 E C T 131.31 2.99 17.36 20.61 96.33 60.14 -84.02 -7.41 89.79 3.47 6.74 19.35 27.02 43.42 0.84 6.11 0.00 1.94 1.32 14 S C C 21.75 15.41 11.65 27.65 115.44 94.76 -88.85 134.66 83.34 6.26 10.40 35.45 33.08 15.21 1.95 7.88 0.02 2.65 3.76 15 Y C T 102.44 9.39 18.35 28.85 94.08 -142.89 -68.58 -17.52 80.27 3.42 16.31 9.93 21.41 49.52 2.48 12.99 0.03 2.00 1.65 16 W C T 49.66 17.64 16.26 33.69 97.72 63.64 -89.44 -4.99 76.88 8.50 14.62 10.49 17.48 49.41 2.45 11.57 0.09 5.87 2.64 17 Y C C 71.52 13.02 16.47 30.05 110.05 92.82 -82.60 113.90 63.85 21.56 14.59 28.04 16.02 21.66 3.17 10.79 0.16 14.63 5.53 18 N C C 97.13 6.40 20.28 27.20 95.98 -0.23 66.79 18.76 70.82 24.58 4.60 31.90 21.30 18.64 0.95 3.41 0.01 21.76 2.03 19 E E E 70.28 10.81 17.85 29.38 125.00 131.98 -103.30 146.71 49.03 49.43 1.55 35.04 10.82 3.60 0.36 1.24 0.00 47.36 1.58 20 V E E 69.02 11.13 19.87 31.28 120.63 -131.63 -102.87 137.26 17.88 82.05 0.08 16.12 1.25 0.14 0.03 0.04 0.00 81.76 0.67 21 G E E 9.84 15.86 18.58 34.88 141.73 154.76 -155.98 176.73 4.54 95.43 0.02 3.59 0.76 0.08 0.01 0.01 0.00 95.39 0.16 22 T E E 54.38 8.64 24.37 33.70 124.47 -96.48 -111.29 141.62 2.25 97.72 0.03 1.91 0.17 0.02 0.01 0.01 0.00 97.78 0.10 23 V E E 24.66 21.19 15.68 36.48 110.19 -123.95 -83.71 126.08 3.54 95.78 0.68 2.77 0.54 0.11 0.21 0.39 0.00 95.86 0.12 24 A E E 37.85 10.83 20.67 31.82 107.10 158.24 -102.77 -26.54 5.77 93.24 0.99 3.95 1.40 0.41 0.23 0.57 0.00 93.29 0.15 25 S E E 43.67 9.10 21.17 30.95 132.07 -21.52 -137.86 147.41 6.03 93.28 0.68 4.78 0.83 0.29 0.19 0.38 0.00 93.26 0.26 26 V E E 56.89 14.22 14.68 29.05 120.73 -148.05 -116.41 131.22 16.36 83.19 0.45 13.94 2.51 0.51 0.17 0.29 0.00 80.74 1.84 27 D C C 58.17 9.53 12.65 23.70 114.31 -152.27 -98.34 122.66 63.51 36.16 0.33 56.17 4.85 0.92 0.08 0.26 0.00 36.11 1.61 28 Q C S 141.91 2.27 14.39 17.70 97.61 -164.15 -89.79 -6.64 93.24 6.53 0.23 43.59 46.46 3.37 0.03 0.25 0.00 5.59 0.71 29 T C S 73.80 4.62 10.43 17.08 114.91 102.12 -86.22 134.37 95.18 4.46 0.36 35.06 56.65 3.74 0.07 0.31 0.00 2.28 1.89 30 P C T 113.65 1.98 11.62 14.79 107.09 -105.83 -65.23 134.93 98.12 0.96 0.92 7.12 16.60 74.18 0.06 1.10 0.00 0.63 0.30 31 G C T 59.59 1.53 13.24 14.93 97.65 22.40 82.95 -2.00 97.89 1.41 0.70 10.89 15.50 71.34 0.05 0.90 0.00 1.08 0.26 32 V C C 51.36 11.87 7.39 19.66 113.80 117.42 -91.29 125.40 86.30 12.96 0.74 72.87 10.72 2.21 0.18 0.68 0.00 5.27 8.06 33 K C S 150.06 1.99 15.96 18.33 98.24 -168.25 -86.15 -29.21 90.82 8.90 0.28 39.79 49.98 2.12 0.06 0.24 0.00 5.34 2.46 34 Y C S 99.81 7.56 15.93 24.77 124.71 21.71 -131.70 135.68 92.28 7.65 0.08 11.50 80.15 1.16 0.01 0.06 0.00 6.48 0.65 35 P C C 56.45 10.46 17.65 28.72 114.10 -112.21 -68.42 144.47 85.39 14.56 0.04 78.76 5.31 0.28 0.00 0.05 0.00 15.05 0.56 36 V E E 17.84 19.50 16.10 35.86 123.76 -154.62 -118.02 136.39 5.78 94.20 0.01 5.26 0.42 0.03 0.00 0.01 0.00 93.69 0.58 37 I E E 55.45 10.33 23.78 34.76 116.71 -150.89 -105.17 126.77 1.02 98.98 0.00 0.93 0.04 0.00 0.00 0.00 0.00 98.94 0.09 38 V E E 10.77 22.29 17.61 39.99 120.89 -166.28 -112.22 129.76 2.76 97.23 0.01 2.61 0.10 0.01 0.00 0.00 0.00 97.16 0.11 39 R E E 90.56 8.93 24.62 33.85 119.35 -158.72 -108.17 131.72 15.54 84.41 0.04 13.82 1.16 0.11 0.01 0.03 0.00 84.39 0.47 40 F C C 22.07 21.47 12.69 33.73 119.53 -149.65 -96.42 138.18 52.61 46.70 0.70 48.83 2.42 0.60 0.17 0.48 0.00 46.01 1.51 41 D C S 91.00 4.20 20.34 24.94 99.11 -159.65 -86.84 -27.18 70.80 28.17 1.03 23.21 36.19 11.39 0.11 0.99 0.00 27.15 0.94 42 K C E 109.80 3.90 20.57 24.96 131.27 3.33 -144.40 146.78 56.01 42.66 1.33 24.39 22.40 11.37 0.16 1.25 0.00 39.06 1.35 43 V E E 53.77 17.58 11.71 28.27 122.35 -156.95 -117.02 132.14 47.70 51.10 1.20 37.22 8.50 2.37 0.36 0.92 0.00 47.57 3.06 44 N E E 79.97 5.86 17.90 24.72 119.27 -169.16 -116.26 127.95 45.96 53.19 0.85 36.21 7.30 2.27 0.24 0.70 0.00 49.28 4.00 45 Y C E 105.59 11.26 11.25 23.11 120.23 -167.95 -111.26 130.83 50.62 48.10 1.28 38.67 9.47 2.48 0.46 1.02 0.01 42.03 5.87 46 T C C 87.95 3.83 13.76 19.02 116.26 -143.47 -103.34 133.94 68.50 29.32 2.18 48.24 13.45 6.70 0.58 1.77 0.00 26.18 3.07 47 G C C 41.04 6.42 9.77 17.65 122.18 -143.30 -103.36 162.89 78.66 17.55 3.78 41.54 22.38 15.57 0.61 3.41 0.01 13.89 2.58 48 Y C T 162.84 2.91 9.01 13.71 113.46 -116.49 -99.62 127.30 72.45 19.94 7.61 20.95 25.23 28.39 1.22 6.09 0.12 12.48 5.53 49 S C T 100.04 0.82 10.17 10.96 102.62 -11.54 -53.35 58.71 88.90 3.69 7.41 13.07 23.57 51.92 0.82 6.99 0.01 2.27 1.35 50 G C T 64.23 0.96 10.35 11.38 99.34 -42.80 81.55 0.25 90.12 3.53 6.34 15.36 30.63 44.31 0.69 5.68 0.00 2.14 1.18 51 S C C 71.80 3.12 9.77 14.68 119.21 108.17 -99.04 143.19 75.31 19.75 4.95 34.03 28.21 14.51 1.08 3.98 0.03 12.33 5.83 52 A C C 77.56 4.07 11.54 17.18 110.71 -115.51 -79.87 132.96 69.05 26.01 4.93 39.44 18.15 12.62 1.10 4.05 0.03 19.03 5.57 53 S C C 61.59 7.05 12.42 20.80 120.44 -153.78 -101.96 148.85 69.52 27.40 3.07 41.07 16.27 12.97 0.59 2.64 0.01 23.31 3.13 54 G C E 33.70 9.08 14.33 24.20 122.60 -150.02 -143.95 171.27 56.13 42.15 1.71 34.74 15.70 7.31 0.35 1.54 0.01 37.55 2.79 55 V E E 70.80 10.26 15.00 26.11 120.96 -108.08 -108.76 136.14 35.68 63.29 1.03 27.86 5.42 1.52 0.54 0.68 0.01 54.57 9.40 56 N E E 72.65 10.77 16.01 27.40 116.52 -150.57 -98.75 130.58 45.66 53.30 1.04 38.36 5.06 1.49 0.42 0.73 0.00 49.73 4.21 57 T C C 61.62 11.77 15.90 28.00 114.88 -175.97 -110.45 110.81 66.08 31.00 2.92 43.34 14.98 8.73 0.74 2.33 0.01 26.85 3.01 58 N C C 64.85 11.54 16.43 28.45 116.57 105.37 -104.82 130.11 74.51 22.26 3.23 33.00 27.57 16.03 0.66 2.57 0.02 17.51 2.64 59 N C C 86.00 8.65 19.45 28.44 110.11 -151.64 -103.97 99.41 75.80 21.41 2.79 41.39 24.70 11.10 0.67 2.27 0.01 16.32 3.55 60 F C C 39.98 17.71 13.95 31.49 122.99 156.05 -111.39 141.63 69.10 29.29 1.61 57.69 7.86 2.15 0.75 1.00 0.00 17.37 13.18 61 A C C 34.50 7.24 20.39 28.67 123.51 -138.82 -103.97 153.77 82.68 14.41 2.91 78.70 3.83 1.08 1.02 1.80 0.00 9.25 4.32 62 L H G 80.42 13.44 13.82 27.26 91.71 -113.91 -60.71 -31.36 6.13 0.66 93.21 1.20 0.99 3.40 1.25 92.46 0.00 0.69 0.01 63 H H G 148.79 1.63 19.43 20.61 91.07 62.68 -72.62 -13.86 6.02 0.79 93.19 0.76 0.94 3.83 0.88 92.75 0.00 0.83 0.01 64 E H G 56.03 12.84 14.91 28.60 95.25 60.22 -90.06 -5.16 6.85 0.79 92.37 1.30 1.18 3.57 0.73 92.36 0.00 0.84 0.01 65 V E E 25.01 21.19 10.96 31.17 123.06 85.87 -105.42 138.85 24.16 75.51 0.33 20.94 3.69 0.20 0.10 0.18 0.00 73.95 0.93 66 Q E E 98.32 4.93 19.99 25.92 123.49 -165.22 -119.12 137.27 4.38 95.58 0.05 4.20 0.20 0.02 0.02 0.01 0.00 95.30 0.25 67 E E E 111.73 8.62 14.96 24.86 112.99 -116.75 -76.29 131.63 4.78 95.17 0.05 4.63 0.16 0.03 0.02 0.02 0.00 94.34 0.81 68 V C C 68.05 10.21 11.35 22.40 113.17 -165.62 -99.08 132.75 57.70 42.06 0.24 49.98 5.60 0.60 0.05 0.19 0.00 42.52 1.07 69 A C C 77.31 2.38 14.27 17.51 122.70 -88.50 -109.75 144.44 78.25 21.60 0.15 53.90 24.37 0.73 0.03 0.13 0.00 19.24 1.59 70 P C C 90.05 4.89 10.99 17.74 115.93 -101.78 -67.49 148.48 95.77 4.01 0.23 82.50 12.54 0.82 0.06 0.17 0.00 3.39 0.51 71 P C C 79.81 6.48 8.71 16.96 113.13 -103.80 -65.48 148.62 96.17 2.27 1.56 85.28 7.10 3.71 0.35 1.24 0.00 1.44 0.88 72 K C C 160.28 1.47 9.56 12.29 111.29 -108.95 -79.11 137.21 93.35 3.32 3.33 69.08 15.89 7.72 0.72 2.94 0.00 1.70 1.95 73 K C C 162.64 1.65 8.03 11.25 111.97 -107.56 -83.09 136.61 93.74 2.90 3.36 49.17 24.95 19.42 0.54 3.21 0.00 1.59 1.12 74 G C C 58.73 1.85 8.50 11.74 111.89 -83.60 -76.56 151.54 96.67 1.39 1.94 82.24 2.91 11.89 0.37 1.24 0.00 0.84 0.52 75 K C C 161.90 1.63 10.11 12.94 107.43 -96.53 -83.77 106.20 99.92 0.07 0.01 99.82 0.09 0.04 0.00 0.00 0.00 0.03 0.01