# 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 S C C 67.91 5.92 13.97 21.01 116.48 100.07 -94.85 144.48 99.87 0.13 0.01 99.82 0.08 0.02 0.00 0.00 0.00 0.07 0.01 1 K C C 125.63 5.56 13.04 20.07 114.41 -152.44 -98.66 129.73 79.88 19.96 0.16 74.59 2.59 1.07 0.02 0.12 0.00 20.78 0.81 2 N E E 79.47 8.83 13.59 23.50 122.04 -151.54 -109.07 139.72 27.57 72.33 0.10 22.03 4.69 0.53 0.01 0.11 0.00 72.05 0.57 3 S E E 30.36 12.21 15.30 28.83 122.90 -159.22 -113.08 138.31 5.49 94.49 0.02 4.96 0.35 0.03 0.00 0.01 0.00 94.56 0.08 4 V E E 53.73 9.67 19.45 30.35 118.17 -149.67 -107.37 129.06 1.24 98.76 0.00 1.13 0.04 0.00 0.00 0.00 0.00 98.81 0.01 5 I E E 17.39 19.21 16.44 36.36 122.62 -167.04 -117.13 134.35 0.46 99.54 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.58 0.00 6 K E E 74.37 9.18 23.92 33.79 117.16 -149.29 -104.71 128.11 0.29 99.71 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.74 0.00 7 L E E 9.61 22.96 17.11 40.30 121.91 -165.17 -113.32 134.43 0.32 99.68 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.71 0.00 8 L E E 52.07 8.55 23.72 33.17 119.51 -158.75 -110.87 131.45 0.55 99.45 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.45 0.03 9 S E E 11.84 18.53 12.95 31.98 112.55 -129.74 -80.32 133.49 14.03 85.95 0.03 13.42 0.41 0.03 0.01 0.01 0.00 85.78 0.33 10 T C S 77.95 5.94 18.93 25.99 94.90 -153.93 -80.29 -14.90 94.83 3.74 1.43 6.18 50.78 38.09 0.10 1.25 0.00 3.22 0.37 11 A C S 52.46 7.89 13.90 23.04 100.00 65.54 -82.48 -6.20 96.31 1.39 2.30 3.22 48.49 45.03 0.17 1.83 0.00 0.83 0.44 12 A C T 83.59 3.34 15.09 19.57 99.39 -98.52 62.57 23.96 97.18 0.82 1.99 8.48 39.47 49.24 0.13 1.92 0.00 0.48 0.28 13 S C T 72.05 3.65 14.14 18.70 98.57 98.24 -90.83 -0.20 97.02 2.31 0.67 18.78 31.11 47.23 0.06 0.74 0.00 1.74 0.33 14 G C C 44.92 5.50 13.85 20.54 97.93 -111.08 84.37 3.58 76.05 23.63 0.32 38.38 32.23 5.96 0.04 0.37 0.00 21.92 1.10 15 Y E E 113.24 6.39 14.94 22.93 119.03 132.34 -93.37 141.02 31.02 68.96 0.02 28.02 1.84 0.10 0.00 0.02 0.00 69.32 0.69 16 S E E 57.05 11.55 13.00 25.51 129.67 -168.30 -129.44 147.58 2.83 97.16 0.00 2.56 0.13 0.01 0.00 0.00 0.00 97.23 0.07 17 R E E 94.38 9.32 16.42 27.17 129.76 -170.33 -133.40 145.44 0.44 99.55 0.00 0.39 0.02 0.00 0.00 0.00 0.00 99.58 0.00 18 Y E E 128.27 8.80 15.26 25.76 124.09 -154.85 -119.17 136.02 0.45 99.55 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.60 0.00 19 I E E 50.25 11.80 15.04 28.31 127.16 -175.69 -128.42 141.56 1.27 98.73 0.00 1.20 0.02 0.00 0.00 0.00 0.00 98.77 0.02 20 S E E 66.04 6.08 18.59 25.93 118.70 -142.13 -104.41 130.66 3.09 96.91 0.00 2.92 0.07 0.00 0.00 0.00 0.00 96.93 0.07 21 I E E 36.72 15.47 11.45 27.45 122.63 -169.25 -116.85 135.86 13.25 86.74 0.01 12.51 0.36 0.01 0.00 0.00 0.00 86.70 0.41 22 K E E 124.29 2.84 17.19 20.40 115.26 -115.69 -74.20 145.82 42.65 57.19 0.15 37.97 3.24 0.71 0.03 0.13 0.00 56.61 1.31 23 K C T 133.08 6.04 11.01 18.78 109.09 -95.12 -61.34 135.88 96.43 2.84 0.73 9.78 15.26 71.42 0.07 0.75 0.00 2.34 0.39 24 G C T 65.30 0.68 14.77 13.99 96.51 20.07 84.25 -1.51 98.50 1.00 0.51 11.34 15.34 71.74 0.04 0.60 0.00 0.78 0.16 25 A C C 40.34 9.03 8.99 19.75 120.53 123.47 -83.38 146.87 97.40 2.36 0.24 51.35 45.31 1.09 0.05 0.19 0.00 1.23 0.79 26 P C C 96.96 2.55 16.90 19.58 111.99 -104.03 -68.39 148.74 97.06 2.75 0.20 73.53 21.40 2.12 0.03 0.22 0.00 2.36 0.34 27 L C C 81.28 11.12 13.71 25.19 114.29 -93.64 -77.30 138.65 78.47 21.14 0.39 67.95 7.45 1.56 0.06 0.40 0.00 21.86 0.74 28 V E E 42.26 13.22 13.95 28.11 116.70 -156.38 -107.04 134.64 30.66 69.07 0.27 27.80 2.10 0.43 0.07 0.20 0.00 68.54 0.86 29 T E E 69.63 9.05 17.62 27.65 126.24 -163.39 -124.53 140.01 12.04 87.74 0.22 10.65 1.06 0.29 0.07 0.15 0.00 87.53 0.24 30 Q E E 50.89 12.62 15.44 29.09 132.05 -173.47 -136.10 148.93 6.74 93.20 0.06 5.93 0.56 0.08 0.01 0.04 0.00 93.29 0.10 31 V E E 68.11 9.23 17.71 28.11 119.38 -144.12 -109.12 131.09 2.86 97.14 0.01 2.50 0.23 0.01 0.00 0.00 0.00 97.23 0.02 32 R E E 74.68 11.62 16.33 28.94 128.98 -174.63 -127.47 146.86 0.76 99.24 0.00 0.64 0.07 0.01 0.00 0.00 0.00 99.27 0.01 33 Y E E 102.94 7.60 16.55 25.63 117.60 -131.29 -101.42 133.92 0.81 99.19 0.00 0.78 0.04 0.00 0.00 0.00 0.00 99.02 0.16 34 D E E 22.87 12.80 10.66 25.47 109.48 -138.05 -92.25 114.15 49.88 50.10 0.02 48.91 0.49 0.05 0.00 0.01 0.00 50.14 0.40 35 P C T 87.79 3.62 14.25 19.55 93.01 -160.14 -67.30 -24.37 99.09 0.10 0.81 0.26 3.73 95.13 0.02 0.77 0.00 0.06 0.02 36 V C T 108.62 1.89 13.21 15.58 97.52 48.17 -76.67 -40.50 99.15 0.11 0.73 0.25 3.99 95.01 0.02 0.65 0.00 0.06 0.04 37 V C T 77.81 3.99 11.33 16.93 99.54 28.06 -99.25 -12.41 99.29 0.16 0.55 1.04 3.82 94.52 0.03 0.48 0.00 0.09 0.03 38 K C T 157.27 2.13 12.51 16.31 93.93 -129.47 57.85 35.26 99.07 0.60 0.34 25.23 4.50 69.38 0.08 0.19 0.00 0.56 0.06 39 R E E 118.34 3.34 14.93 19.92 131.36 113.36 -128.78 156.40 31.57 68.40 0.04 26.51 3.47 0.28 0.01 0.03 0.00 69.19 0.51 40 H E E 108.57 7.59 14.29 23.31 114.89 -107.61 -78.26 134.49 0.56 99.44 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.39 0.05 41 V E E 29.63 13.94 13.76 29.11 127.52 -173.33 -127.29 143.91 0.18 99.82 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 42 L E E 79.54 7.03 19.56 27.53 116.07 -128.35 -90.44 131.04 0.53 99.47 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.50 0.01 43 F E E 34.37 17.88 13.48 31.47 126.21 -172.25 -119.71 146.20 2.32 97.67 0.01 2.09 0.10 0.01 0.00 0.00 0.00 97.76 0.03 44 K E E 106.25 5.84 20.41 27.08 120.44 -143.75 -110.41 134.11 5.01 94.92 0.07 4.50 0.30 0.06 0.02 0.03 0.00 94.99 0.10 45 E E E 51.69 15.90 12.88 28.90 122.03 -154.55 -104.91 138.19 10.35 89.44 0.21 9.53 0.64 0.16 0.07 0.11 0.00 89.15 0.35 46 A E E 51.95 6.90 16.49 24.71 124.64 -170.08 -116.48 145.99 24.51 74.89 0.60 20.94 2.87 0.68 0.18 0.36 0.00 74.32 0.66 47 K E E 116.79 6.51 12.83 21.06 121.06 -145.95 -108.37 138.99 37.80 60.98 1.22 31.59 5.12 1.45 0.38 0.81 0.00 59.10 1.55 48 K C C 124.61 5.58 11.31 18.74 116.77 -143.82 -98.65 133.54 58.92 39.28 1.81 50.72 5.81 1.78 0.69 1.16 0.00 37.40 2.43 49 R C C 149.67 3.92 10.39 16.23 116.43 -143.47 -96.18 135.29 82.91 14.43 2.66 71.96 8.15 2.58 0.96 1.73 0.00 12.70 1.91 50 K C C 141.33 3.35 9.56 14.74 112.35 -134.35 -85.89 131.55 87.63 8.53 3.84 70.41 13.00 4.32 1.42 2.45 0.00 6.26 2.14 51 V C C 100.28 3.76 8.21 13.67 114.92 -152.01 -96.20 132.38 86.93 5.62 7.45 67.66 12.68 6.28 2.08 5.76 0.00 3.56 1.98 52 A C C 83.42 2.46 8.49 12.41 109.04 -121.87 -80.07 116.53 87.82 4.03 8.16 51.90 24.10 11.41 1.53 7.26 0.00 2.58 1.23 53 E C C 146.68 1.75 9.09 12.04 110.05 -123.97 -89.00 114.86 88.71 4.69 6.61 57.07 21.52 9.62 1.28 5.96 0.00 3.11 1.43 54 R C C 158.04 3.77 7.77 13.27 112.30 -146.18 -91.51 126.29 91.68 5.65 2.67 70.73 17.76 3.00 0.89 1.83 0.00 3.19 2.60 55 K C C 147.71 1.93 9.45 12.95 118.11 -136.03 -93.93 139.72 97.22 2.42 0.36 78.45 18.26 0.71 0.14 0.20 0.00 1.35 0.90 56 P C C 102.54 2.88 9.30 13.99 114.16 -103.34 -66.86 147.63 94.37 2.85 2.78 84.50 6.39 3.50 0.81 1.88 0.00 1.62 1.30 57 L C C 111.90 4.68 7.65 14.11 113.12 -108.96 -76.71 139.72 88.90 3.97 7.12 72.43 9.61 6.52 1.98 5.25 0.00 2.20 2.02 58 D C C 110.61 2.01 10.12 13.40 109.95 -130.78 -89.78 117.18 82.94 4.39 12.67 61.41 10.44 10.07 2.93 10.68 0.00 2.65 1.82 59 F C C 139.44 4.36 7.55 13.61 102.78 -172.25 -90.97 8.47 77.05 4.38 18.57 40.33 15.12 21.64 4.25 14.43 0.01 2.56 1.66 60 L C C 124.44 2.05 8.41 11.90 103.84 98.06 -85.48 43.07 76.54 5.67 17.78 38.81 16.35 21.64 4.32 13.48 0.02 3.25 2.13 61 R C C 170.66 1.94 7.63 11.13 103.65 86.10 -85.88 13.46 80.16 6.56 13.28 42.98 23.98 13.77 4.38 8.47 0.02 3.45 2.94 62 T C C 105.82 1.81 7.57 10.92 112.77 64.27 -95.76 122.26 92.37 3.54 4.09 81.57 3.45 7.78 1.58 1.95 0.00 2.27 1.40 63 A C C 85.11 2.52 9.51 13.72 107.71 -120.28 -80.21 123.43 99.84 0.14 0.02 99.71 0.13 0.06 0.01 0.00 0.00 0.07 0.02