# 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 129.88 3.20 10.47 15.28 117.76 -156.93 -96.09 139.58 99.91 0.09 0.01 99.85 0.07 0.02 0.00 0.00 0.00 0.04 0.01 1 A C C 87.61 2.14 7.95 11.89 113.02 -118.06 -81.31 134.47 93.58 6.03 0.39 91.13 1.77 1.02 0.16 0.14 0.00 3.21 2.58 2 V C C 110.34 2.54 6.85 11.36 117.77 -141.26 -100.75 132.78 91.49 8.08 0.42 68.05 23.19 0.82 0.20 0.22 0.00 4.49 3.03 3 P C C 100.86 2.36 8.32 12.49 113.86 -108.69 -67.80 146.93 92.10 5.85 2.05 81.50 7.58 2.99 0.73 1.20 0.00 4.17 1.83 4 F C C 165.67 1.90 7.65 11.32 113.70 -123.69 -85.75 134.15 87.99 6.25 5.77 70.20 11.75 5.66 2.21 3.55 0.00 3.59 3.04 5 R C C 173.88 1.95 7.95 11.63 115.26 -137.00 -94.22 134.17 85.75 6.97 7.27 62.98 15.47 7.10 3.05 4.21 0.00 4.18 3.00 6 R C C 172.75 1.88 8.34 11.94 114.57 -144.60 -92.50 133.20 84.70 7.15 8.15 63.34 14.32 6.70 4.72 3.52 0.01 4.07 3.32 7 T C C 86.44 4.35 7.96 14.13 114.84 -152.70 -95.68 137.39 88.97 4.61 6.41 70.20 15.17 3.41 5.05 1.66 0.00 2.29 2.21 8 S C C 60.77 2.66 9.97 14.01 118.35 -124.52 -85.27 160.83 87.84 3.12 9.04 71.88 13.52 1.72 9.15 0.90 0.00 1.18 1.64 9 K H H 153.72 1.40 10.42 12.67 93.14 -108.70 -62.30 -35.83 14.80 0.31 84.90 5.18 3.83 6.83 80.54 3.32 0.04 0.15 0.11 10 A H H 69.50 1.46 10.95 12.79 92.49 54.08 -65.36 -39.70 13.88 0.46 85.66 4.91 2.70 7.24 80.76 3.93 0.04 0.29 0.13 11 K H H 106.59 2.76 10.78 14.86 93.20 49.94 -67.50 -38.64 10.54 0.73 88.73 5.23 2.07 4.43 82.87 4.65 0.04 0.56 0.15 12 K H H 111.32 3.10 10.88 15.49 92.51 53.63 -65.15 -39.66 9.73 0.53 89.74 4.59 1.70 4.26 85.29 3.64 0.03 0.38 0.12 13 R H H 156.13 1.36 12.13 13.59 92.75 51.03 -67.38 -35.46 15.47 0.56 83.97 5.45 2.16 8.40 79.97 3.44 0.05 0.38 0.16 14 K H H 136.07 1.83 11.67 14.11 93.86 54.03 -71.20 -30.33 23.71 0.66 75.62 8.64 3.84 11.89 71.71 3.28 0.05 0.35 0.25 15 R H H 142.42 3.45 10.34 15.30 96.00 60.17 -75.53 -20.93 39.45 1.43 59.12 19.52 7.04 13.61 55.44 3.07 0.04 0.66 0.62 16 R C H 153.62 2.74 10.21 14.39 100.28 68.87 -80.09 -5.01 57.64 2.47 39.89 35.90 7.54 13.86 37.03 3.37 0.02 1.13 1.16 17 T C C 89.40 3.42 9.54 14.58 106.49 100.37 -90.01 17.63 72.38 1.79 25.83 41.82 12.03 17.58 22.77 4.07 0.01 0.85 0.87 18 H C C 146.01 2.09 9.89 13.14 101.93 64.72 -88.72 3.42 79.66 1.74 18.61 39.93 19.74 20.03 13.68 4.95 0.01 0.86 0.80 19 V C C 99.10 3.92 9.45 15.19 114.30 86.74 -95.88 128.17 83.97 3.10 12.94 49.08 23.18 11.87 8.24 4.61 0.01 1.78 1.24 20 K C C 149.44 2.32 11.11 15.09 115.90 -146.22 -92.84 132.74 84.46 7.14 8.39 67.18 9.25 7.69 4.73 3.73 0.00 5.06 2.36 21 L C C 92.60 8.23 8.59 18.07 116.95 -146.93 -96.74 133.76 86.37 10.10 3.53 77.65 5.72 2.73 1.80 1.67 0.00 6.77 3.66 22 Q C C 138.10 1.88 13.57 16.54 115.58 -150.34 -99.87 128.35 88.70 8.90 2.40 76.75 9.02 2.37 1.26 1.12 0.00 5.23 4.24 23 L C C 86.24 9.10 8.55 18.68 116.31 -147.16 -99.18 129.25 96.69 2.69 0.62 79.98 15.83 1.07 0.24 0.33 0.00 1.52 1.03 24 P C T 97.14 3.06 12.85 17.19 111.16 -120.62 -69.73 141.63 96.83 2.06 1.11 39.51 13.34 44.02 0.15 1.03 0.00 1.56 0.38 25 G C T 46.26 3.71 14.60 19.12 113.00 8.38 92.38 0.10 91.43 7.61 0.96 30.68 16.83 43.93 0.07 1.08 0.00 6.95 0.45 26 M C C 89.29 10.95 10.48 22.01 120.79 -100.07 -101.63 139.37 54.70 45.12 0.17 51.24 2.52 0.25 0.02 0.15 0.00 44.90 0.92 27 N E E 71.95 5.85 16.04 23.52 130.76 -175.39 -129.56 154.91 6.33 93.61 0.05 5.87 0.48 0.05 0.02 0.03 0.00 92.64 0.90 28 E E E 124.27 4.28 16.14 21.92 115.49 -107.47 -82.72 136.51 4.86 95.10 0.04 4.68 0.21 0.02 0.04 0.02 0.00 87.38 7.67 29 C C C 19.12 16.38 7.67 24.06 109.73 -115.49 -72.18 125.96 93.17 6.80 0.03 93.45 0.46 0.09 0.00 0.01 0.00 5.50 0.48 30 S C T 91.70 1.26 14.79 15.90 93.68 -148.23 -69.05 -24.25 99.59 0.18 0.24 1.26 11.12 87.19 0.01 0.26 0.00 0.12 0.04 31 N C T 115.56 2.11 13.12 15.97 99.85 44.09 -84.09 -36.25 99.76 0.06 0.18 0.11 4.54 95.18 0.00 0.13 0.00 0.02 0.01 32 C C T 66.66 4.80 11.67 18.07 103.81 18.28 -108.99 -14.42 99.75 0.10 0.15 0.51 6.18 93.09 0.00 0.15 0.00 0.05 0.02 33 G C C 48.41 3.47 13.04 18.09 95.62 -121.84 80.37 5.99 99.19 0.75 0.06 84.82 12.05 2.32 0.01 0.05 0.00 0.40 0.35 34 E C C 90.34 4.73 13.93 20.53 119.51 136.93 -80.10 147.83 96.42 3.57 0.01 93.86 2.97 0.05 0.00 0.01 0.00 2.79 0.32 35 Y E E 126.21 6.99 15.79 24.13 114.55 -114.23 -82.23 135.82 2.37 97.62 0.00 2.37 0.08 0.00 0.00 0.00 0.00 94.40 3.14 36 R E E 69.63 12.85 13.24 26.89 132.23 174.48 -134.12 154.00 3.73 96.26 0.00 3.74 0.10 0.00 0.00 0.00 0.00 95.12 1.03 37 L E E 73.96 6.38 17.97 25.31 116.92 -103.96 -72.53 149.38 47.07 52.75 0.18 44.18 2.06 0.50 0.02 0.21 0.00 51.48 1.55 38 S C T 51.57 10.49 15.91 26.98 107.43 -88.83 -62.27 143.08 96.80 2.17 1.03 3.24 13.46 79.79 0.03 1.38 0.00 1.82 0.28 39 H C T 106.50 8.69 18.38 27.49 95.47 14.39 71.76 8.94 97.48 1.62 0.90 3.88 12.81 80.30 0.02 1.33 0.00 1.52 0.15 40 H C C 75.30 9.28 19.51 29.56 125.60 100.10 -116.04 150.00 60.93 38.65 0.42 38.70 21.39 2.22 0.06 0.49 0.00 32.74 4.42 41 V E B 41.15 13.73 16.97 31.42 120.01 -136.09 -102.46 137.82 11.43 88.51 0.06 10.17 0.69 0.03 0.06 0.02 0.00 30.78 58.26 42 C C C 15.57 15.42 13.61 30.55 110.73 -112.16 -74.80 130.67 87.31 12.64 0.05 87.46 1.00 0.10 0.01 0.02 0.00 9.60 1.80 43 P C T 88.11 5.81 16.73 23.98 92.16 -137.72 -64.07 -25.58 98.52 0.37 1.11 0.48 3.32 94.56 0.02 1.31 0.00 0.24 0.07 44 E C T 137.84 1.94 17.80 19.62 96.69 50.28 -78.62 -34.19 98.81 0.12 1.07 0.12 1.88 96.76 0.01 1.14 0.00 0.06 0.03 45 C C T 54.06 7.44 15.09 24.01 102.74 23.15 -107.67 -13.78 98.59 0.34 1.07 1.68 6.38 90.24 0.02 1.35 0.00 0.22 0.10 46 G C C 19.87 10.80 14.83 27.20 98.50 -117.37 83.61 7.87 89.47 10.37 0.16 83.05 4.20 2.29 0.04 0.10 0.00 9.12 1.21 47 Q E E 65.96 7.58 17.47 26.43 125.76 131.16 -104.77 150.02 6.30 93.67 0.03 6.10 0.27 0.03 0.02 0.01 0.00 86.44 7.14 48 Y E E 59.25 15.22 11.59 27.06 123.54 -167.58 -132.85 127.95 4.63 95.27 0.10 2.90 1.12 0.55 0.04 0.07 0.00 89.70 5.63 49 D C T 115.69 2.63 15.10 18.84 92.53 -12.85 53.87 41.39 99.66 0.19 0.15 0.31 2.75 96.66 0.01 0.11 0.00 0.13 0.02 50 G C T 61.72 1.57 13.87 15.78 93.99 -52.29 79.46 3.52 99.78 0.08 0.14 0.40 3.54 95.86 0.00 0.12 0.00 0.06 0.01 51 K E E 119.18 3.32 13.50 18.64 122.64 112.20 -106.53 142.38 7.25 92.66 0.09 3.97 3.27 0.44 0.04 0.06 0.00 86.49 5.72 52 D E E 84.33 5.62 14.09 21.33 109.74 -109.69 -72.83 129.94 11.94 87.92 0.14 10.82 0.70 0.12 0.08 0.06 0.00 82.58 5.63 53 V C C 51.98 12.71 11.32 24.61 100.25 -167.63 -82.84 -22.66 80.28 10.09 9.63 44.66 17.19 18.20 1.83 8.14 0.00 8.69 1.28 54 A C T 57.00 8.31 11.35 20.68 105.57 58.66 -89.49 6.95 81.33 6.49 12.18 27.22 24.92 30.03 1.87 9.96 0.02 4.17 1.81 55 N C C 123.92 1.88 12.50 15.28 108.05 50.49 -90.43 88.30 87.68 3.28 9.04 66.59 5.03 16.07 1.64 7.26 0.00 2.27 1.13 56 S C C 71.85 5.94 10.82 18.23 110.51 82.95 -93.27 115.87 99.87 0.09 0.05 99.61 0.20 0.10 0.02 0.01 0.00 0.04 0.02