# 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 138.13 2.25 9.63 13.44 114.54 -154.35 -95.19 134.27 99.93 0.06 0.02 99.87 0.06 0.03 0.01 0.00 0.00 0.02 0.00 1 K C C 153.86 1.99 7.28 11.16 115.24 -141.02 -92.96 134.67 85.22 7.68 7.11 82.10 1.20 2.77 4.88 1.66 0.00 4.63 2.76 2 A C C 82.85 2.33 7.06 11.30 115.91 -138.20 -91.83 139.51 78.83 11.30 9.87 62.78 10.16 5.51 6.11 4.00 0.01 8.57 2.86 3 K C C 157.41 1.63 8.07 11.25 113.91 -135.20 -92.43 131.68 70.59 14.12 15.29 56.12 8.76 5.26 9.28 6.37 0.01 11.21 3.00 4 F C C 144.47 3.50 7.06 12.51 114.64 -148.47 -94.57 133.90 66.08 12.54 21.38 49.45 9.96 6.58 12.42 9.12 0.02 10.18 2.28 5 K C C 154.56 1.77 9.46 12.55 111.56 -156.33 -93.92 121.07 64.43 14.94 20.64 45.00 12.15 7.36 11.58 9.17 0.04 12.24 2.44 6 I C C 120.04 3.18 8.03 13.14 114.55 -149.82 -96.37 128.29 64.97 17.10 17.93 45.51 12.13 7.34 10.29 7.87 0.07 13.57 3.21 7 L C C 124.55 2.43 9.34 13.20 103.37 -153.32 -86.68 0.63 73.55 15.62 10.83 49.91 16.13 7.36 6.39 4.67 0.04 11.54 3.97 8 I C C 98.78 4.71 7.46 14.09 120.76 52.30 -106.93 134.94 88.35 9.82 1.83 50.40 33.73 5.02 0.77 1.02 0.00 6.72 2.34 9 P C C 101.69 2.28 10.69 14.25 110.14 -103.39 -71.43 140.94 95.41 3.38 1.21 51.63 33.88 10.09 0.27 0.99 0.00 2.31 0.84 10 E C C 139.18 2.91 10.22 15.19 116.60 -112.85 -98.61 132.09 95.76 3.70 0.54 48.25 44.67 3.24 0.13 0.42 0.00 2.05 1.24 11 P C C 75.08 7.24 9.71 18.42 113.95 -104.90 -71.15 149.10 96.29 2.11 1.60 62.84 18.71 14.48 0.20 1.76 0.00 1.39 0.60 12 K C C 152.59 2.47 14.24 17.32 105.49 -134.15 -87.49 83.71 91.00 6.07 2.92 55.40 21.31 14.17 0.37 3.01 0.00 3.90 1.84 13 S C C 43.07 12.40 10.09 22.80 121.90 -146.64 -93.00 151.39 85.24 11.88 2.88 58.52 19.05 7.63 0.32 2.84 0.00 9.73 1.92 14 K C C 116.79 5.46 17.88 24.30 119.42 -157.05 -111.42 134.87 67.48 30.87 1.65 44.23 20.21 3.33 0.17 1.59 0.00 28.96 1.51 15 F E E 77.02 13.81 13.75 27.66 121.75 -133.81 -104.67 140.22 24.32 75.62 0.06 21.64 2.03 0.14 0.01 0.05 0.00 75.11 1.03 16 I E E 48.32 11.74 16.68 29.70 120.77 -154.36 -113.66 136.38 6.28 93.71 0.00 5.69 0.30 0.01 0.00 0.00 0.00 93.88 0.11 17 R E E 126.62 6.80 19.85 27.48 112.03 -127.33 -85.73 125.74 1.43 98.56 0.00 1.31 0.04 0.00 0.00 0.00 0.00 98.63 0.01 18 V E E 22.26 17.76 13.70 31.79 125.96 -172.32 -122.33 141.15 0.94 99.06 0.00 0.86 0.02 0.00 0.00 0.00 0.00 99.10 0.01 19 K E E 106.66 5.10 20.32 26.14 117.44 -138.45 -102.82 129.72 2.81 97.19 0.00 2.72 0.07 0.00 0.00 0.00 0.00 96.48 0.72 20 C C C 13.61 17.55 9.42 27.59 109.42 -127.42 -75.92 122.16 88.92 11.06 0.02 89.65 0.38 0.03 0.00 0.01 0.00 9.52 0.42 21 R C T 160.41 2.55 15.70 19.19 94.07 -153.14 -68.32 -28.12 99.34 0.17 0.49 0.50 7.66 91.20 0.01 0.48 0.00 0.11 0.04 22 Q C T 126.54 2.27 14.31 17.13 97.97 45.83 -78.45 -38.72 99.45 0.09 0.45 0.08 3.84 95.67 0.00 0.34 0.00 0.03 0.03 23 C C T 64.24 5.26 11.80 18.84 102.44 21.53 -107.30 -7.94 99.42 0.17 0.40 0.46 4.67 94.40 0.01 0.34 0.00 0.09 0.03 24 N C C 120.61 2.48 13.70 17.60 94.77 -123.39 68.14 21.81 98.65 1.19 0.16 86.93 8.15 3.55 0.04 0.11 0.00 0.74 0.47 25 N C C 70.12 5.85 12.78 20.58 119.82 137.63 -84.49 149.66 95.13 4.84 0.03 91.34 3.71 0.21 0.00 0.03 0.00 4.29 0.42 26 E E E 110.98 6.90 15.33 23.88 118.05 -126.79 -97.49 134.93 6.55 93.44 0.01 6.22 0.28 0.01 0.00 0.00 0.00 93.07 0.41 27 Q E E 50.59 14.12 14.45 29.17 130.64 -175.95 -132.47 148.64 0.95 99.05 0.00 0.82 0.04 0.00 0.00 0.00 0.00 99.13 0.01 28 V E E 69.48 8.61 20.16 29.64 117.42 -130.29 -100.14 131.02 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 29 I E E 32.26 16.97 15.60 32.91 121.34 -166.38 -113.75 133.40 3.24 96.76 0.00 3.10 0.05 0.00 0.00 0.00 0.00 96.79 0.06 30 F E E 65.15 10.86 17.25 29.23 118.32 -141.14 -97.50 137.54 21.37 78.58 0.06 20.03 0.80 0.10 0.01 0.03 0.00 78.37 0.65 31 S C S 58.94 9.47 16.57 26.52 101.56 -137.01 -81.21 -9.48 86.14 13.10 0.76 18.60 40.79 26.25 0.05 0.83 0.00 12.81 0.67 32 N C S 99.76 3.84 18.24 22.59 102.22 55.99 -95.54 34.85 94.30 4.82 0.88 28.24 38.08 28.17 0.08 1.00 0.00 3.54 0.88 33 A C C 31.92 16.73 9.64 25.61 113.00 140.27 -77.19 134.33 93.37 4.82 1.81 38.36 24.39 30.81 0.20 1.96 0.00 2.93 1.36 34 T C S 102.44 2.60 17.70 20.77 99.41 95.31 -94.32 -3.32 95.31 4.18 0.51 24.84 39.68 30.81 0.04 0.67 0.00 3.43 0.53 35 F C S 102.88 5.64 17.01 24.01 125.50 74.45 -110.42 145.10 90.92 9.02 0.06 18.80 72.46 0.66 0.01 0.05 0.00 7.22 0.81 36 P C C 71.52 7.98 18.90 27.47 113.80 -101.87 -67.34 143.21 72.80 27.18 0.02 72.13 0.91 0.05 0.00 0.01 0.00 26.07 0.83 37 V E E 14.41 21.34 13.19 34.52 121.25 -153.95 -111.88 133.62 18.14 81.84 0.01 17.54 0.76 0.02 0.01 0.01 0.00 79.66 2.01 38 R E E 121.63 5.06 23.48 29.13 120.88 -151.86 -110.48 134.69 4.29 95.70 0.01 4.14 0.14 0.01 0.01 0.00 0.00 80.38 15.31 39 C C C 12.06 19.80 10.55 30.71 110.15 -116.64 -71.16 126.44 81.32 18.66 0.02 82.96 0.35 0.03 0.00 0.01 0.00 15.40 1.25 40 L C T 104.01 4.68 17.12 23.12 93.02 -148.46 -69.29 -27.38 99.62 0.17 0.21 0.42 4.68 94.55 0.01 0.20 0.00 0.11 0.04 41 S C T 71.93 3.90 15.58 20.66 99.65 44.89 -82.66 -40.43 99.74 0.09 0.17 0.05 1.97 97.81 0.00 0.10 0.00 0.04 0.03 42 C C T 72.06 4.14 13.89 19.33 102.43 18.92 -106.98 -14.00 99.80 0.05 0.15 0.22 2.41 97.22 0.00 0.11 0.00 0.03 0.01 43 G C C 46.37 4.69 13.90 20.37 94.75 -120.63 79.50 7.40 99.48 0.40 0.11 89.67 5.86 3.95 0.03 0.07 0.00 0.26 0.16 44 A C C 49.13 5.86 15.52 23.38 118.00 146.54 -73.95 143.35 94.37 5.62 0.01 92.22 2.76 0.07 0.00 0.01 0.00 3.92 1.01 45 Q E E 93.56 8.77 18.62 28.25 109.73 -112.23 -75.57 125.51 1.37 98.63 0.00 1.44 0.04 0.00 0.00 0.00 0.00 92.29 6.23 46 I E E 21.41 18.76 17.14 36.24 100.26 174.81 -98.03 -28.58 9.85 90.15 0.00 7.32 1.83 0.01 0.00 0.00 0.00 90.82 0.02 47 V E E 13.61 19.66 15.69 35.79 137.59 10.68 -146.46 149.66 0.81 99.19 0.00 0.80 0.02 0.00 0.00 0.00 0.00 99.14 0.03 48 I E E 85.00 5.59 23.11 29.31 122.07 -156.03 -120.57 132.16 0.76 99.24 0.00 0.72 0.02 0.00 0.00 0.00 0.00 99.25 0.02 49 P E E 50.24 15.89 10.77 26.33 113.60 -118.13 -71.76 137.35 5.15 94.84 0.01 4.61 0.21 0.02 0.00 0.00 0.00 95.04 0.12 50 K E E 126.07 2.97 14.51 19.06 122.28 174.59 -136.00 125.99 19.02 80.54 0.44 12.94 5.21 1.87 0.11 0.43 0.00 76.90 2.54 51 G C T 66.73 0.63 14.14 13.40 95.58 -16.67 59.01 31.47 97.92 0.87 1.21 1.12 14.84 81.62 0.02 1.64 0.00 0.63 0.13 52 G C T 51.27 5.18 12.81 19.23 95.96 -42.33 82.33 2.32 98.40 0.34 1.26 1.31 14.57 82.06 0.02 1.73 0.00 0.24 0.06 53 K E E 115.52 3.52 17.11 22.03 126.85 91.43 -119.65 145.71 18.47 81.36 0.17 11.38 6.90 1.47 0.04 0.17 0.00 78.00 2.05 54 A E E 24.69 18.51 10.61 28.48 119.31 -129.45 -92.21 136.58 10.86 89.12 0.01 9.71 0.46 0.04 0.00 0.01 0.00 89.67 0.12 55 K E E 106.64 4.72 20.54 26.05 122.81 -164.84 -117.18 139.11 2.86 97.13 0.01 2.41 0.19 0.02 0.00 0.00 0.00 97.31 0.07 56 I E E 67.12 14.91 11.06 25.76 115.30 -135.06 -95.48 128.69 4.19 95.78 0.03 3.86 0.24 0.03 0.01 0.01 0.00 95.31 0.54 57 E C C 119.67 3.91 14.41 19.74 119.24 -165.38 -107.25 136.50 56.94 42.95 0.12 55.33 0.61 0.27 0.04 0.06 0.00 42.96 0.74 58 G C C 49.93 4.35 14.17 19.44 114.53 -79.10 50.49 132.29 99.72 0.27 0.00 99.44 0.28 0.05 0.00 0.00 0.00 0.22 0.01