# 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 133.62 2.70 10.16 14.47 117.08 -148.26 -95.36 139.64 99.92 0.07 0.01 99.83 0.09 0.03 0.00 0.00 0.00 0.03 0.01 1 A C C 85.75 2.48 7.27 11.74 113.88 -113.02 -79.31 138.97 92.71 6.19 1.10 90.07 1.36 1.69 0.48 0.39 0.00 3.56 2.45 2 V C C 120.70 1.53 6.88 10.09 116.28 -142.47 -97.90 131.17 89.42 9.19 1.39 69.72 17.40 2.19 0.64 0.74 0.00 5.14 4.16 3 Q C C 134.99 2.16 7.02 11.11 114.50 -122.29 -82.45 138.67 89.69 7.44 2.87 80.07 6.57 2.99 1.16 1.52 0.00 5.25 2.45 4 Q C C 142.13 1.65 7.75 11.01 114.16 -129.99 -88.22 135.07 88.20 8.20 3.60 75.67 8.52 3.59 1.60 1.92 0.00 4.99 3.72 5 R C C 178.03 1.78 7.76 11.30 115.05 -132.54 -94.01 133.04 87.75 8.61 3.65 72.80 10.62 4.01 1.84 1.76 0.00 5.13 3.83 6 R C C 173.84 1.80 8.16 11.63 116.54 -150.92 -95.65 135.56 87.91 7.37 4.71 67.84 15.22 4.52 3.08 1.71 0.00 4.09 3.52 7 S C C 69.61 4.26 7.47 13.67 118.98 -138.05 -92.73 148.47 90.26 4.92 4.82 72.18 14.83 3.03 3.82 1.25 0.00 2.46 2.42 8 S C C 60.98 2.70 9.66 13.83 117.61 -116.48 -79.79 159.33 88.90 2.61 8.49 78.39 8.13 1.78 8.35 0.90 0.00 1.12 1.33 9 K H H 160.84 1.08 10.06 11.70 93.16 -107.14 -62.14 -34.78 22.24 0.45 77.30 6.23 4.95 12.01 69.99 6.31 0.07 0.24 0.20 10 H H H 136.57 1.06 10.79 11.79 92.60 53.78 -66.80 -37.79 22.14 0.87 76.99 6.48 4.18 12.62 69.11 6.66 0.11 0.55 0.28 11 R H H 126.01 2.73 10.20 14.28 93.73 49.32 -68.50 -37.68 17.78 1.38 80.84 8.60 3.63 7.25 71.15 7.98 0.07 0.94 0.38 12 R H H 129.83 3.02 10.37 14.97 92.78 55.72 -64.87 -40.21 14.98 0.99 84.04 6.64 2.71 6.73 77.06 5.85 0.07 0.64 0.29 13 D H H 101.55 1.40 11.85 13.38 93.21 50.62 -68.74 -34.32 20.42 0.79 78.78 7.30 3.00 10.77 72.78 5.34 0.06 0.52 0.24 14 K H H 137.20 1.84 11.56 13.97 94.87 55.45 -71.16 -28.88 25.81 1.01 73.17 10.60 4.79 11.46 66.72 5.41 0.07 0.56 0.38 15 R H H 141.16 3.50 10.26 15.31 99.24 59.20 -81.30 -12.86 39.25 2.18 58.57 18.24 7.56 14.70 52.37 5.04 0.09 1.08 0.92 16 R C H 151.79 2.72 10.88 14.93 103.35 67.57 -83.27 4.47 57.69 3.39 38.92 32.83 9.33 16.01 33.65 4.92 0.06 1.60 1.60 17 S C C 66.65 3.80 10.35 15.64 106.26 95.77 -81.29 48.20 66.48 2.14 31.38 42.43 10.73 13.13 23.05 8.53 0.01 1.02 1.10 18 H C C 126.45 4.30 9.87 15.54 99.53 65.59 -79.22 -13.18 59.57 1.80 38.63 25.81 12.64 21.65 18.96 19.08 0.04 0.87 0.94 19 D C T 111.10 2.12 10.95 14.23 101.24 76.83 -81.25 5.12 61.52 1.73 36.75 23.25 14.50 24.48 16.49 19.48 0.04 0.84 0.93 20 A C C 78.03 2.86 10.57 14.75 104.03 79.20 -83.28 24.07 64.98 4.29 30.73 36.19 12.69 17.00 13.55 16.42 0.03 2.50 1.63 21 L C C 97.71 6.89 8.14 16.36 112.65 102.07 -87.00 132.08 76.40 11.72 11.88 59.65 11.47 4.64 8.46 3.75 0.03 6.71 5.29 22 T C C 102.62 2.36 12.07 15.76 115.43 -153.95 -99.91 134.92 80.71 11.52 7.77 67.44 8.44 3.83 5.76 2.41 0.01 7.10 5.00 23 A C C 77.68 4.36 10.22 16.45 114.36 -117.95 -79.90 137.33 83.26 7.95 8.79 64.24 13.73 5.32 4.74 3.92 0.01 5.30 2.75 24 Q C C 116.17 5.30 10.43 17.51 114.11 -122.22 -84.13 134.46 89.20 5.52 5.28 76.10 8.34 4.98 1.97 3.01 0.00 4.25 1.36 25 A C C 71.05 4.18 12.90 18.46 116.12 -129.19 -93.86 144.95 85.35 11.85 2.81 72.38 8.80 3.69 0.63 2.16 0.00 10.83 1.51 26 L C C 101.27 6.86 11.43 19.93 118.80 -115.75 -97.48 137.34 60.88 38.89 0.23 55.69 3.78 0.38 0.06 0.17 0.00 38.70 1.23 27 S E E 47.92 6.92 13.86 22.57 132.36 -167.44 -131.93 156.47 9.87 90.06 0.07 8.82 1.09 0.10 0.02 0.04 0.00 89.23 0.71 28 V E E 95.10 4.25 15.46 21.12 117.15 -113.61 -94.28 134.93 3.26 96.72 0.02 3.24 0.15 0.01 0.03 0.01 0.00 84.22 12.35 29 C C C 22.87 14.20 7.53 22.38 109.55 -116.15 -72.41 127.26 90.53 9.45 0.02 91.00 0.40 0.05 0.00 0.01 0.00 8.02 0.53 30 Q C T 142.90 1.26 13.75 15.10 93.29 -146.48 -68.09 -25.95 99.75 0.12 0.14 0.85 7.16 91.75 0.00 0.13 0.00 0.08 0.02 31 K C T 152.15 1.41 12.42 14.14 98.68 44.55 -80.75 -38.33 99.86 0.03 0.11 0.10 3.02 96.79 0.00 0.08 0.00 0.01 0.00 32 C C T 72.03 3.71 11.03 16.22 102.20 20.74 -107.77 -13.50 99.84 0.06 0.10 0.43 4.27 95.18 0.00 0.09 0.00 0.03 0.01 33 G C C 51.63 2.89 11.81 16.36 95.14 -123.09 77.31 7.41 99.37 0.58 0.05 86.21 9.75 3.39 0.01 0.05 0.00 0.30 0.29 34 K C C 105.03 3.59 13.08 18.50 119.45 137.98 -81.66 146.76 96.49 3.50 0.01 93.68 3.12 0.04 0.00 0.00 0.00 2.87 0.28 35 K E E 125.13 4.91 15.01 21.44 113.50 -105.68 -70.48 139.42 2.12 97.88 0.00 2.15 0.08 0.00 0.00 0.00 0.00 92.47 5.30 36 K E E 58.23 13.09 11.39 25.20 131.15 -174.19 -131.78 153.44 5.94 94.05 0.01 5.89 0.19 0.01 0.00 0.00 0.00 92.55 1.36 37 L C C 77.45 5.77 16.79 23.62 116.93 -107.41 -78.55 149.55 60.13 39.71 0.16 57.32 1.87 0.35 0.01 0.18 0.00 39.35 0.92 38 F C T 107.25 8.56 15.35 24.72 107.15 -96.15 -62.80 140.98 94.95 4.18 0.87 7.74 19.37 67.70 0.02 1.21 0.00 3.62 0.34 39 H C T 107.59 8.34 16.25 25.18 95.45 17.92 71.95 11.63 93.23 5.98 0.79 9.53 19.18 64.17 0.02 1.15 0.00 5.63 0.30 40 R E E 101.00 7.79 17.28 26.24 125.20 106.91 -111.40 143.61 41.01 58.53 0.45 32.61 7.16 1.59 0.09 0.52 0.00 52.37 5.66 41 V E E 52.22 11.84 13.93 26.89 118.75 -140.00 -103.73 133.68 26.69 73.16 0.15 23.49 1.83 0.27 0.08 0.09 0.00 55.64 18.60 42 C C C 37.85 10.49 13.11 25.02 121.56 -138.26 -83.07 160.97 70.49 29.25 0.26 65.74 2.70 1.06 0.05 0.22 0.00 28.77 1.46 43 S C T 88.16 2.65 15.56 18.94 93.77 -97.65 -64.98 -20.21 90.36 8.84 0.79 34.88 13.85 41.39 0.09 0.85 0.00 8.21 0.72 44 C C T 70.80 5.49 14.03 20.74 95.38 57.32 -89.45 -3.42 95.73 3.43 0.83 28.38 18.51 48.73 0.08 0.91 0.00 3.03 0.37 45 G C C 27.50 8.73 13.98 24.15 102.12 -108.21 87.61 5.59 72.57 26.67 0.77 51.32 16.56 4.39 0.14 0.74 0.00 25.06 1.78 46 M E E 76.17 7.20 14.33 23.23 124.78 126.92 -109.27 146.10 17.77 82.02 0.22 15.39 1.56 0.29 0.11 0.13 0.00 75.28 7.24 47 Y E E 79.98 11.44 10.75 23.27 120.59 -168.81 -128.98 123.87 15.20 84.42 0.37 11.43 2.68 0.95 0.19 0.25 0.00 76.70 7.80 48 G C T 55.11 2.38 14.25 17.39 101.34 -24.87 59.12 -84.05 97.46 1.69 0.84 2.57 6.18 88.87 0.10 0.63 0.00 1.49 0.18 49 D C T 133.94 0.76 13.25 13.34 95.85 -36.90 -70.59 5.60 98.23 0.72 1.05 2.35 7.99 88.06 0.13 0.78 0.00 0.59 0.11 50 L E E 91.57 5.16 10.19 17.50 119.92 108.81 -96.25 139.13 22.21 76.52 1.27 12.98 8.62 2.53 0.66 0.76 0.05 66.02 8.36 51 R E E 150.45 3.48 13.18 18.37 111.87 -123.08 -79.24 128.45 23.49 75.75 0.76 21.45 1.41 0.44 0.57 0.32 0.00 70.00 5.82 52 V C C 66.83 10.61 9.82 21.03 104.21 -156.03 -90.79 -21.44 70.67 24.56 4.78 57.54 8.90 3.26 2.63 2.29 0.00 23.61 1.76 53 K C C 122.69 4.59 11.65 17.71 120.69 18.69 -108.20 139.55 69.71 21.36 8.93 48.73 14.15 7.02 3.95 5.14 0.03 18.08 2.91 54 K C C 147.62 2.56 10.80 15.16 114.55 -132.18 -87.21 133.03 72.81 17.68 9.50 53.93 11.43 7.29 3.31 6.28 0.02 14.76 2.98 55 A C C 77.47 4.28 8.26 14.39 110.11 -135.19 -83.57 126.17 85.62 8.28 6.10 78.74 2.45 5.16 1.93 3.37 0.00 6.59 1.76 56 Y C C 160.05 3.69 10.07 15.44 111.96 -135.78 -94.07 117.37 99.69 0.25 0.06 99.52 0.16 0.11 0.02 0.01 0.00 0.15 0.03