# 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 133.28 2.79 10.14 14.77 116.21 -164.93 -100.74 131.58 99.53 0.44 0.03 99.32 0.24 0.10 0.01 0.00 0.00 0.26 0.06 1 G C C 54.44 2.24 8.62 12.45 119.37 -157.24 -113.27 170.54 92.43 6.30 1.26 86.34 2.36 3.77 0.40 0.63 0.00 4.98 1.52 2 H C C 155.94 1.74 7.29 10.45 114.28 -109.34 -94.50 131.19 87.95 9.07 2.98 66.01 12.72 8.73 0.77 2.38 0.00 7.06 2.32 3 H C C 149.72 1.96 7.10 10.79 115.97 -155.28 -100.83 132.50 86.16 9.91 3.93 65.02 13.14 7.32 1.07 3.13 0.00 7.23 3.08 4 H C C 149.28 1.96 7.31 10.95 115.35 -153.97 -100.26 131.95 86.62 8.46 4.92 65.45 14.70 5.95 1.51 3.64 0.00 6.17 2.58 5 H C C 149.35 2.07 7.19 10.91 114.93 -151.11 -98.18 129.46 87.04 7.07 5.89 65.40 14.29 6.99 1.96 4.10 0.00 4.98 2.28 6 H C C 145.63 2.16 7.34 11.23 115.88 -158.01 -100.73 131.19 87.16 6.09 6.76 66.05 14.21 6.67 2.42 4.47 0.00 4.31 1.87 7 H C C 148.79 2.07 7.36 11.02 115.01 -151.05 -97.12 131.03 84.78 6.49 8.73 65.07 11.81 7.66 3.21 5.65 0.00 4.72 1.88 8 H C C 147.05 2.26 7.26 11.18 113.58 -157.60 -98.44 128.49 82.22 7.43 10.35 59.39 14.28 8.43 3.89 6.59 0.01 5.29 2.14 9 H C C 145.61 2.15 7.97 11.73 115.65 -157.70 -101.53 131.62 79.99 9.33 10.68 56.72 15.51 7.74 4.03 6.71 0.01 7.14 2.16 10 H C C 146.70 2.40 7.87 11.95 114.09 -158.01 -98.12 130.73 77.40 11.89 10.71 57.01 11.53 8.71 3.83 6.89 0.01 9.57 2.44 11 H C C 145.91 2.24 8.03 11.94 114.43 -150.66 -97.25 126.08 75.57 15.07 9.36 55.92 10.24 9.16 3.35 6.01 0.01 12.03 3.28 12 M C C 141.45 2.38 8.18 11.93 111.47 -159.78 -98.57 113.05 77.76 14.40 7.83 34.50 14.18 30.45 2.54 4.71 0.04 11.19 2.41 13 G C T 51.33 2.75 9.89 14.03 118.29 -28.27 99.24 -138.82 82.90 12.48 4.62 28.76 21.89 33.08 0.99 3.17 0.02 10.82 1.26 14 K C C 153.01 1.95 10.89 14.06 117.74 -69.42 -99.37 135.28 71.72 24.79 3.49 46.47 17.65 7.62 0.91 2.43 0.01 23.25 1.66 15 I E E 100.71 6.84 8.11 16.58 119.29 -149.52 -104.60 132.89 44.60 53.91 1.49 37.97 5.10 1.26 0.58 0.85 0.00 51.71 2.52 16 T E E 86.78 3.67 11.77 17.21 121.32 -162.93 -114.60 136.25 32.90 65.55 1.55 29.44 2.63 0.83 0.61 0.77 0.00 63.88 1.83 17 F E E 122.69 6.47 9.78 18.04 120.01 -157.00 -112.27 136.30 33.82 62.74 3.44 29.15 3.49 1.44 1.45 1.61 0.00 61.05 1.81 18 Y E E 135.76 4.75 10.53 17.17 119.08 -159.79 -109.77 132.59 42.46 47.86 9.67 33.29 6.29 3.58 3.39 5.62 0.02 45.97 1.85 19 E C C 124.76 3.87 10.28 16.11 117.16 -159.09 -104.06 133.92 54.61 31.67 13.72 35.25 12.37 8.62 4.40 8.24 0.04 29.05 2.03 20 D C C 100.15 3.67 9.26 14.72 111.69 -152.46 -97.61 115.22 67.45 19.75 12.80 43.04 13.19 11.85 3.65 8.91 0.03 16.74 2.57 21 R C T 167.80 2.43 9.17 13.23 108.05 -163.71 -90.39 81.98 76.66 10.10 13.25 19.56 16.94 41.34 3.23 9.19 0.06 7.52 2.16 22 G C T 60.75 1.21 10.40 12.13 104.30 -30.42 83.50 -7.44 85.54 4.87 9.59 17.50 21.75 46.73 1.97 7.21 0.01 3.61 1.22 23 F C C 138.13 3.94 7.72 13.39 111.93 83.70 -95.19 115.46 78.40 12.11 9.49 38.51 21.61 19.52 2.05 7.16 0.03 7.62 3.51 24 Q C C 140.47 1.75 10.23 13.19 109.16 -154.31 -92.63 104.59 81.30 13.09 5.61 34.15 19.72 28.64 1.29 4.10 0.02 9.64 2.44 25 G C S 47.47 3.85 10.68 16.10 121.46 28.77 137.43 -175.05 77.42 19.37 3.21 23.80 29.58 25.46 0.49 2.65 0.01 16.16 1.85 26 H C C 127.60 3.98 11.00 16.74 118.67 -71.67 -99.91 138.79 65.37 32.44 2.19 46.93 13.40 5.14 0.56 1.79 0.00 29.06 3.11 27 C E E 78.61 6.45 10.49 18.85 124.96 -167.89 -123.48 144.51 48.84 49.57 1.59 38.70 7.69 2.20 0.58 1.13 0.00 45.52 4.18 28 Y E E 122.67 6.92 11.32 20.02 125.69 -165.26 -124.78 142.69 41.36 57.22 1.42 34.95 4.76 1.25 0.60 0.82 0.00 54.47 3.15 29 E E E 131.92 3.51 13.64 18.76 119.00 -135.18 -99.59 137.16 44.22 53.93 1.85 37.25 5.08 1.68 0.66 1.11 0.00 51.26 2.95 30 C C C 65.12 9.25 9.01 19.33 124.71 -166.22 -116.84 147.21 62.26 35.38 2.36 52.19 6.74 2.74 0.83 1.69 0.00 31.01 4.80 31 S C C 76.62 3.38 12.10 16.88 115.72 -164.01 -110.32 137.99 75.42 22.42 2.16 55.32 15.15 5.13 0.63 1.78 0.01 17.24 4.75 32 S C S 79.96 3.18 10.79 15.42 115.32 -126.71 -109.72 137.28 88.62 9.19 2.18 21.33 43.72 24.18 0.28 1.95 0.01 6.98 1.56 33 D C S 118.67 1.68 11.34 13.99 107.72 -84.04 -90.33 81.06 93.28 5.07 1.65 33.72 37.38 22.52 0.21 1.62 0.00 3.25 1.29 34 C C C 63.60 6.87 7.17 15.56 113.37 60.40 -107.08 112.84 94.74 4.39 0.86 74.18 18.23 2.02 0.25 0.69 0.00 1.96 2.67 35 P C T 106.97 2.05 10.60 13.81 98.71 -157.14 -70.08 -22.13 93.64 1.84 4.52 24.84 12.26 56.31 0.63 4.13 0.00 1.13 0.70 36 N C T 125.97 1.34 10.84 12.68 105.79 45.22 -92.40 68.07 91.65 2.81 5.54 20.34 15.48 55.70 0.85 4.84 0.00 1.84 0.95 37 L C C 91.41 7.12 7.26 15.56 108.72 121.27 -86.60 111.32 86.13 7.32 6.55 62.78 16.41 5.58 1.92 4.97 0.01 2.75 5.58 38 Q C C 110.94 3.43 10.38 15.40 114.51 109.50 -85.06 135.88 84.47 2.20 13.33 69.97 8.56 5.50 4.34 9.33 0.00 1.02 1.28 39 P C T 103.57 2.32 10.73 14.24 96.86 -108.97 -71.15 -21.31 56.92 1.56 41.51 11.56 8.63 36.25 9.85 32.00 0.03 0.94 0.73 40 Y C G 150.93 3.20 10.39 14.90 100.62 60.38 -86.64 -2.98 50.93 4.31 44.75 11.78 7.58 31.81 11.54 32.92 0.11 2.93 1.33 41 F C G 110.84 6.91 8.47 16.76 107.38 79.42 -89.88 67.17 47.25 9.37 43.38 25.41 8.80 14.69 12.08 30.22 0.09 6.25 2.45 42 S C C 76.17 3.24 11.15 15.81 108.35 87.41 -92.00 84.13 60.25 10.32 29.42 29.61 11.92 19.84 10.99 17.60 0.14 6.81 3.11 43 R C C 161.48 2.69 10.99 15.00 105.08 56.70 -87.92 34.00 66.66 11.29 22.05 32.88 15.64 19.48 9.09 12.04 0.17 6.98 3.72 44 C C C 82.70 5.27 8.79 15.67 108.49 88.42 -93.21 88.91 76.82 10.19 12.99 44.71 16.44 16.53 5.60 6.91 0.05 6.51 3.27 45 F C C 150.54 2.71 10.64 14.82 107.40 145.69 -94.60 70.16 79.72 12.55 7.72 46.29 20.34 13.90 3.17 4.34 0.02 9.00 2.94 46 S C C 80.86 3.20 9.62 14.59 115.06 70.45 -102.18 128.63 71.59 21.58 6.82 48.21 17.55 6.11 3.97 3.12 0.03 16.20 4.81 47 T C C 88.76 3.81 9.33 15.07 118.91 -151.08 -110.84 132.37 66.32 25.98 7.70 50.51 13.14 2.42 6.29 2.12 0.02 22.24 3.26 48 P C C 102.39 2.78 10.60 15.15 113.68 -123.08 -77.14 137.01 58.53 29.51 11.96 49.94 4.75 2.22 9.90 2.42 0.01 28.74 2.04 49 V C C 97.83 5.01 8.02 14.99 118.87 -161.32 -109.05 133.84 50.41 28.11 21.48 40.42 5.50 3.28 17.95 3.57 0.03 27.44 1.82 50 W C C 189.26 2.06 9.32 13.04 117.25 -151.81 -101.35 132.34 49.17 29.30 21.53 38.22 6.03 3.61 18.03 3.57 0.02 28.82 1.68 51 I C C 121.61 3.05 8.04 13.18 118.97 -160.53 -107.50 135.82 52.04 25.50 22.46 38.20 7.87 5.02 18.53 4.15 0.04 24.34 1.85 52 S C C 85.80 2.19 8.35 12.24 113.33 -152.27 -99.14 135.31 61.95 19.40 18.65 42.51 11.08 7.74 14.98 4.01 0.06 17.64 1.99 53 Q C C 137.47 1.78 8.44 11.76 115.92 -145.41 -102.14 132.07 68.01 15.29 16.71 45.44 14.73 7.94 13.09 3.93 0.11 12.32 2.45 54 A C C 82.59 2.90 7.44 12.27 114.16 -126.50 -84.80 134.83 75.21 11.30 13.48 53.15 12.85 8.68 10.45 3.58 0.03 9.14 2.11 55 Q C C 141.58 1.65 8.09 11.25 114.91 -153.23 -100.82 130.45 78.56 9.77 11.67 51.19 15.75 11.57 8.57 3.43 0.03 7.12 2.35 56 G C C 56.13 2.30 8.18 11.89 114.73 -107.74 -100.65 154.30 82.42 8.60 8.97 52.75 14.65 15.47 4.47 4.19 0.02 6.71 1.74 57 I C C 138.51 1.59 7.50 10.53 107.87 -94.67 -89.58 90.08 76.56 12.89 10.55 43.30 16.15 18.14 4.67 5.40 0.08 9.59 2.68 58 R C C 172.70 1.80 6.93 10.41 114.10 97.54 -99.38 128.51 72.35 17.62 10.03 43.75 12.10 16.92 4.79 4.97 0.06 12.86 4.55 59 A C C 92.21 1.56 7.51 10.67 112.83 -143.09 -93.39 131.80 87.74 8.47 3.78 78.30 2.26 7.25 2.07 1.33 0.00 6.66 2.13 60 G C C 54.38 2.56 11.12 14.94 115.10 8.61 96.78 -42.23 99.76 0.21 0.03 99.39 0.25 0.17 0.01 0.01 0.00 0.15 0.02