# 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 120.89 4.11 9.95 15.86 117.59 -163.35 -101.25 135.48 99.89 0.09 0.02 99.82 0.09 0.03 0.01 0.00 0.00 0.04 0.01 1 D C C 103.12 2.90 8.70 13.36 111.29 -145.47 -92.52 118.01 92.59 2.19 5.22 89.95 0.99 2.50 3.24 1.15 0.00 1.04 1.12 2 T C C 98.85 2.69 7.94 12.26 103.09 -169.34 -89.35 5.19 75.51 3.65 20.84 51.18 10.67 13.78 9.16 11.46 0.01 2.11 1.62 3 Q C C 126.93 2.41 8.05 11.99 101.60 77.33 -80.29 1.01 69.97 3.94 26.09 42.16 12.94 15.24 10.17 15.54 0.01 2.23 1.70 4 K C C 148.22 2.10 8.66 12.16 102.31 85.21 -81.85 -3.73 68.31 3.74 27.95 37.70 15.60 15.71 10.66 16.66 0.02 2.04 1.61 5 D C C 112.60 1.96 9.03 12.21 102.52 59.98 -87.37 26.99 77.31 4.13 18.56 45.77 16.63 15.19 8.00 10.27 0.01 2.33 1.79 6 V C C 99.30 3.71 7.72 13.30 111.34 107.94 -92.52 115.86 86.40 6.29 7.31 56.06 24.16 5.90 4.20 3.05 0.01 2.78 3.86 7 Q C C 137.45 1.69 10.16 13.20 114.58 -147.48 -97.81 125.42 96.44 2.96 0.60 73.78 21.79 0.91 0.30 0.27 0.00 1.31 1.63 8 P C C 86.35 4.84 8.20 15.03 116.39 -114.40 -69.45 150.15 98.08 0.83 1.09 89.87 6.51 1.79 0.37 0.58 0.00 0.44 0.44 9 P C C 93.54 3.71 9.50 15.10 112.95 -101.26 -66.88 149.42 92.82 1.34 5.84 78.40 6.87 7.33 1.19 4.78 0.00 0.76 0.66 10 K C C 159.78 1.62 10.27 13.10 110.15 -108.45 -81.01 135.65 87.87 3.71 8.42 57.73 17.15 12.08 1.45 7.76 0.00 2.04 1.79 11 Q C C 125.95 3.78 8.96 14.75 115.29 -118.77 -87.23 136.44 87.49 4.98 7.54 55.29 21.19 10.44 1.57 6.33 0.00 2.72 2.47 12 Q C C 122.51 2.90 11.52 16.10 118.45 -131.49 -96.65 140.64 94.78 4.46 0.76 58.20 34.61 2.46 0.19 0.56 0.00 2.65 1.33 13 P C C 90.80 4.60 12.57 18.62 112.52 -98.33 -68.58 145.75 93.42 6.29 0.29 67.32 23.15 2.84 0.04 0.31 0.00 5.77 0.56 14 M E E 65.32 11.10 11.64 23.85 124.68 -153.75 -117.29 143.79 40.86 58.99 0.14 35.81 3.90 0.49 0.02 0.13 0.00 58.71 0.93 15 I E E 77.91 7.55 17.70 26.50 119.72 -143.88 -109.04 131.67 6.30 93.70 0.01 5.91 0.33 0.02 0.00 0.00 0.00 93.56 0.17 16 Y E E 42.93 15.55 14.81 31.17 123.03 -163.09 -115.46 136.39 0.60 99.40 0.00 0.55 0.03 0.00 0.00 0.00 0.00 99.40 0.02 17 I E E 65.13 7.25 20.32 28.81 116.24 -152.47 -107.94 125.57 0.91 99.09 0.00 0.88 0.02 0.00 0.00 0.00 0.00 98.90 0.19 18 C E E 14.48 15.92 11.70 29.11 109.55 -130.65 -76.74 124.64 44.64 55.32 0.04 44.56 0.43 0.04 0.00 0.02 0.00 54.22 0.71 19 G C T 37.06 6.34 16.31 24.20 94.53 -157.18 -69.94 -28.81 98.36 0.37 1.27 1.56 9.21 87.20 0.03 1.64 0.00 0.29 0.07 20 E C T 126.66 2.85 15.91 19.43 97.78 47.84 -77.38 -39.37 98.68 0.15 1.17 0.28 5.69 92.63 0.01 1.27 0.00 0.08 0.04 21 C C T 66.55 4.87 13.19 19.58 100.23 22.23 -102.74 -8.03 98.73 0.17 1.09 0.66 6.21 91.71 0.02 1.26 0.00 0.09 0.04 22 H C C 142.95 3.27 13.30 18.39 93.81 -123.52 64.90 25.98 99.17 0.56 0.28 72.23 8.35 18.57 0.06 0.21 0.00 0.36 0.22 23 T C C 65.24 5.00 13.84 20.67 121.26 141.99 -95.59 148.67 87.70 12.27 0.04 85.08 2.52 0.12 0.01 0.03 0.00 11.55 0.68 24 E E E 123.89 5.19 14.59 21.77 117.21 -127.05 -91.48 134.99 4.28 95.70 0.02 3.93 0.33 0.03 0.01 0.01 0.00 93.85 1.85 25 N E E 47.21 12.44 11.96 25.42 132.16 174.10 -136.91 154.35 4.61 95.38 0.01 4.18 0.28 0.02 0.00 0.01 0.00 95.32 0.19 26 E E E 123.66 3.57 18.17 22.72 117.67 -128.40 -101.61 132.53 16.03 83.92 0.05 14.42 1.28 0.11 0.01 0.03 0.00 83.48 0.66 27 I C C 48.41 15.30 9.71 24.90 119.92 -157.92 -104.95 135.00 54.64 45.14 0.22 50.80 2.67 0.36 0.05 0.16 0.00 43.90 2.05 28 K C C 122.89 3.48 14.74 19.37 118.15 -150.84 -100.33 137.37 80.54 19.13 0.34 74.89 4.26 0.80 0.10 0.25 0.00 16.62 3.10 29 S C S 70.73 6.20 10.33 17.99 106.03 -111.52 -72.09 124.52 89.62 8.24 2.14 22.57 34.34 33.28 0.21 2.08 0.00 6.33 1.18 30 R C S 183.69 1.38 13.03 14.34 98.76 49.75 -80.08 -9.59 93.18 5.08 1.74 12.21 46.09 35.14 0.13 1.74 0.00 3.85 0.84 31 D C S 91.66 3.64 13.00 18.18 116.92 58.89 -109.48 129.15 92.32 6.97 0.70 19.35 67.61 5.56 0.10 0.66 0.00 5.10 1.63 32 P C C 66.76 7.86 13.61 22.88 114.80 -109.74 -69.97 147.10 90.47 9.25 0.28 72.19 12.69 4.89 0.04 0.32 0.00 8.99 0.88 33 I C C 45.35 14.41 12.55 27.69 116.09 -128.67 -94.23 131.22 58.99 40.85 0.16 50.18 6.51 0.82 0.03 0.16 0.00 40.80 1.50 34 R E E 118.03 6.04 19.22 26.40 125.48 -169.01 -120.36 141.98 8.15 91.78 0.07 8.14 0.36 0.04 0.08 0.02 0.00 54.95 36.42 35 C C C 18.64 16.77 9.90 27.08 109.94 -115.26 -73.07 129.76 72.46 27.50 0.04 73.93 0.44 0.04 0.01 0.02 0.00 22.80 2.75 36 R C T 162.66 2.56 15.29 18.98 93.91 -148.84 -68.88 -29.06 99.65 0.19 0.16 1.04 5.48 93.14 0.01 0.16 0.00 0.13 0.04 37 E C T 135.56 2.02 14.58 17.06 97.50 46.89 -80.28 -37.66 99.74 0.10 0.16 0.15 3.06 96.62 0.00 0.10 0.00 0.05 0.02 38 C C T 62.25 5.86 12.70 20.25 102.80 20.29 -108.97 -12.00 99.68 0.17 0.16 0.61 3.76 95.41 0.01 0.10 0.00 0.08 0.03 39 G C C 44.31 3.82 15.15 20.27 96.31 -117.78 80.71 5.77 95.14 4.74 0.12 85.49 6.53 3.12 0.04 0.10 0.00 3.39 1.33 40 Y C C 81.85 9.64 12.05 23.32 119.38 141.72 -77.98 148.65 87.52 12.44 0.04 84.28 2.91 0.13 0.01 0.03 0.00 11.73 0.92 41 R E E 119.85 6.48 18.29 25.79 117.68 -129.39 -98.37 133.38 6.29 93.66 0.05 6.16 0.41 0.03 0.04 0.02 0.00 78.98 14.36 42 I E E 51.43 14.71 13.28 28.46 112.51 -133.38 -86.45 124.60 20.16 79.76 0.07 20.10 0.35 0.04 0.03 0.03 0.00 78.79 0.65 43 M E E 82.93 7.38 16.75 25.50 101.61 176.50 -94.87 -33.30 32.71 66.99 0.29 25.85 5.94 0.44 0.07 0.17 0.00 67.09 0.44 44 Y E E 112.28 5.19 17.00 23.48 134.92 2.94 -147.01 148.74 12.58 87.23 0.19 10.23 1.82 0.29 0.08 0.12 0.00 81.80 5.67 45 K E E 107.14 9.33 11.50 22.10 120.66 -151.46 -112.83 133.69 39.32 60.44 0.24 37.15 1.58 0.25 0.09 0.14 0.00 58.30 2.49 46 K C C 119.29 4.50 11.26 17.60 116.08 -128.00 -80.32 142.51 81.16 17.67 1.18 62.78 15.00 2.90 0.27 0.94 0.00 16.86 1.25 47 R C C 179.86 1.74 9.38 12.77 111.95 -120.92 -83.03 131.18 89.44 9.14 1.42 60.77 23.86 5.06 0.34 1.20 0.00 7.05 1.71 48 T C C 85.18 3.72 6.92 12.63 123.09 -160.49 -109.48 150.75 92.04 6.50 1.45 76.21 12.19 3.63 0.48 1.03 0.00 4.94 1.52 49 K C C 178.89 0.58 8.60 8.96 99.40 -137.43 -84.93 -5.83 91.62 6.56 1.83 54.98 32.98 3.96 1.12 0.88 0.00 4.74 1.34 50 R C C 177.50 1.10 7.29 9.72 120.06 87.94 -105.55 139.21 88.03 9.82 2.15 65.78 19.35 2.88 1.54 0.84 0.00 8.17 1.45 51 L C C 134.96 1.60 6.69 10.10 116.00 -136.96 -94.24 133.15 82.37 15.49 2.14 75.52 5.18 1.37 1.51 0.74 0.00 14.05 1.65 52 V C C 114.68 2.09 6.87 10.89 117.35 -148.21 -102.83 130.18 76.47 21.01 2.52 70.82 4.31 1.22 1.86 0.77 0.00 19.09 1.92 53 V C C 120.88 1.53 7.23 10.42 117.93 -160.46 -108.78 129.46 73.59 23.39 3.02 67.76 4.37 1.51 2.13 0.97 0.01 21.10 2.15 54 F C C 160.51 1.88 6.34 10.14 117.76 -155.50 -106.15 133.78 74.74 20.53 4.73 61.33 8.94 4.03 2.93 1.89 0.01 18.96 1.89 55 D C C 122.07 1.09 7.35 9.64 113.41 -153.17 -99.25 122.59 78.80 15.53 5.67 56.46 12.77 9.41 2.91 2.76 0.01 14.03 1.63 56 A C C 87.10 2.36 5.83 10.06 110.59 -158.07 -93.42 110.46 85.49 9.99 4.52 77.75 2.44 5.55 2.33 1.64 0.00 8.64 1.65 57 R C C 178.11 1.65 9.88 12.85 112.69 -160.50 -95.31 124.48 99.37 0.57 0.06 99.25 0.15 0.10 0.02 0.01 0.00 0.43 0.04