# 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 92.21 8.94 10.80 20.77 117.80 -163.03 -96.46 139.56 99.91 0.08 0.00 99.89 0.06 0.01 0.00 0.00 0.00 0.03 0.01 1 D C C 97.80 3.05 12.09 16.45 107.80 -125.03 -85.06 113.52 93.41 3.06 3.53 91.41 0.84 2.18 1.05 1.55 0.00 1.47 1.48 2 S C G 69.31 7.45 8.87 17.46 96.52 -168.54 -72.83 -14.30 51.81 1.03 47.17 17.24 7.69 23.52 1.56 49.11 0.00 0.59 0.29 3 S C G 84.25 2.42 11.20 15.04 94.93 70.27 -73.97 -13.60 51.67 0.86 47.47 8.78 9.02 31.18 1.52 48.73 0.00 0.47 0.30 4 K C G 149.29 1.99 12.81 15.50 99.27 60.04 -90.26 -2.67 50.52 1.71 47.77 17.07 13.90 18.22 1.99 47.28 0.01 0.86 0.68 5 A C S 42.59 10.84 9.02 20.71 118.25 103.88 -85.99 140.44 98.16 1.60 0.24 34.58 63.53 0.43 0.08 0.11 0.00 0.64 0.65 6 P C C 83.47 3.81 16.73 21.16 113.44 -104.55 -67.39 147.22 96.33 3.55 0.11 86.95 8.97 0.58 0.02 0.09 0.00 2.86 0.54 7 V C C 66.65 14.53 11.80 25.91 117.18 -122.10 -93.32 135.28 72.23 27.67 0.10 66.45 4.61 0.33 0.02 0.09 0.00 27.15 1.36 8 K E E 87.29 9.25 19.55 29.52 127.59 -170.44 -125.27 141.79 21.02 78.95 0.03 19.40 1.46 0.06 0.01 0.02 0.00 77.95 1.10 9 F E E 86.29 11.53 20.05 31.85 116.21 -123.21 -86.80 134.76 9.73 90.26 0.01 8.96 0.49 0.03 0.00 0.01 0.00 90.06 0.45 10 V E E 13.34 20.88 15.86 36.76 130.49 -173.42 -126.34 151.81 8.48 91.52 0.00 7.71 0.56 0.02 0.00 0.00 0.00 91.64 0.07 11 K E E 96.06 6.46 24.56 31.48 118.07 -130.47 -103.49 132.34 4.09 95.91 0.00 3.81 0.16 0.01 0.00 0.00 0.00 95.95 0.07 12 V E E 22.43 21.38 12.49 33.94 109.63 -118.90 -76.28 123.77 1.26 98.74 0.00 1.20 0.02 0.00 0.00 0.00 0.00 98.75 0.03 13 T E E 70.01 4.69 20.03 25.60 100.64 175.23 -96.80 -31.99 2.75 97.25 0.00 1.74 0.63 0.02 0.00 0.00 0.00 97.60 0.01 14 R E E 121.28 3.34 21.87 25.65 136.19 -0.69 -149.33 149.09 0.71 99.28 0.00 0.47 0.09 0.00 0.00 0.00 0.00 99.43 0.00 15 V E E 60.54 16.24 12.57 28.29 116.30 -137.86 -105.89 124.32 0.35 99.65 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.00 16 L E E 81.49 6.87 16.51 24.60 105.66 -173.11 -97.68 3.95 1.25 98.74 0.00 1.00 0.11 0.01 0.00 0.00 0.00 98.87 0.01 17 G E E 32.54 5.07 17.62 23.84 139.52 -47.89 155.72 -176.79 4.24 95.75 0.01 2.97 0.96 0.08 0.00 0.01 0.00 95.93 0.04 18 R E E 137.95 6.28 12.62 20.88 122.37 -86.02 -109.95 142.63 10.34 89.62 0.04 9.49 0.63 0.06 0.01 0.03 0.00 88.95 0.83 19 T E E 77.14 6.31 10.23 18.24 117.96 -153.84 -103.99 136.31 44.55 54.95 0.50 38.06 5.14 0.83 0.15 0.38 0.00 52.48 2.96 20 G C T 53.52 1.83 11.96 14.54 116.10 -0.52 83.88 -153.99 81.99 2.40 15.61 7.00 27.57 46.92 0.93 15.24 0.01 1.60 0.73 21 S C T 101.46 0.78 10.70 11.24 97.89 -41.03 -80.32 -15.60 80.15 0.75 19.10 3.84 20.37 54.79 1.01 19.14 0.00 0.41 0.42 22 R C T 175.55 1.54 10.43 12.88 100.77 58.32 -89.78 7.96 79.63 1.43 18.94 3.81 14.11 60.07 0.99 19.52 0.01 0.89 0.61 23 G C T 43.39 4.93 11.62 17.93 107.21 -89.44 81.47 1.91 91.34 2.68 5.98 16.29 17.16 57.68 0.68 5.67 0.00 1.85 0.67 24 G C C 42.93 4.75 14.53 20.38 101.05 -18.25 76.28 3.42 77.12 21.61 1.27 41.31 17.39 18.45 0.18 1.25 0.00 20.11 1.31 25 V E E 48.67 10.69 13.17 25.36 122.63 121.47 -105.60 143.67 35.00 64.94 0.05 31.57 2.17 0.15 0.01 0.04 0.00 65.52 0.54 26 T E E 35.47 11.83 17.15 30.43 122.19 -150.97 -111.17 138.35 3.60 96.39 0.01 3.30 0.12 0.01 0.00 0.00 0.00 96.49 0.07 27 Q E E 52.97 11.94 19.80 32.61 120.95 -145.41 -105.68 138.54 0.69 99.30 0.00 0.58 0.03 0.00 0.00 0.00 0.00 99.37 0.01 28 V E E 11.85 19.62 16.79 37.04 124.55 -163.37 -118.73 138.40 0.67 99.33 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.39 0.01 29 R E E 77.31 9.39 23.86 33.91 118.28 -146.88 -104.43 129.63 0.45 99.55 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 30 V E E 10.70 21.54 16.16 37.94 123.36 -168.70 -116.90 134.75 1.38 98.61 0.00 1.25 0.03 0.00 0.00 0.00 0.00 98.69 0.03 31 E E E 67.78 7.64 22.91 31.31 120.49 -156.40 -111.59 131.95 3.22 96.77 0.01 2.85 0.15 0.01 0.00 0.00 0.00 96.91 0.07 32 F E E 37.52 16.15 13.04 29.93 112.70 -136.87 -88.98 125.21 17.18 82.72 0.11 14.94 1.55 0.23 0.03 0.07 0.00 82.68 0.50 33 M C E 89.12 6.78 15.19 23.33 101.99 -157.86 -82.16 -19.69 69.49 29.30 1.21 26.81 25.98 16.45 0.10 1.20 0.00 28.74 0.72 34 D C S 113.70 2.01 14.57 16.82 101.23 29.21 -89.40 -6.56 87.77 11.18 1.05 9.60 48.38 29.25 0.06 1.15 0.00 10.85 0.71 35 D C C 70.50 5.78 10.68 18.33 113.63 53.99 -116.23 107.27 88.81 10.21 0.98 52.77 25.67 10.59 0.12 1.19 0.00 8.22 1.43 36 T C S 100.69 3.84 10.59 16.61 95.18 -167.81 -76.11 -15.50 93.67 4.22 2.10 17.23 39.22 37.31 0.17 2.16 0.00 3.24 0.68 37 T C S 111.80 1.11 13.72 14.36 97.41 56.80 -88.45 -13.87 90.24 8.04 1.72 12.00 44.89 33.36 0.11 1.73 0.00 7.20 0.70 38 R C C 110.84 6.47 13.13 21.19 125.05 47.49 -124.44 139.47 63.98 34.95 1.07 45.52 13.36 4.16 0.13 1.06 0.00 34.87 0.89 39 S E E 41.88 12.71 12.87 26.29 129.31 -174.28 -127.17 147.54 25.89 74.03 0.09 23.31 1.63 0.18 0.02 0.05 0.00 74.41 0.40 40 I E E 51.07 11.34 17.24 30.10 121.12 -152.22 -115.60 130.63 2.30 97.67 0.03 2.04 0.19 0.02 0.01 0.01 0.00 97.62 0.10 41 I E E 75.14 11.74 17.87 30.21 120.85 -162.58 -115.63 128.30 0.91 99.07 0.01 0.83 0.04 0.00 0.00 0.00 0.00 99.10 0.03 42 R E E 85.43 11.06 18.18 29.95 128.85 -176.51 -129.06 145.08 4.10 95.88 0.02 3.58 0.22 0.02 0.00 0.00 0.00 96.14 0.03 43 N E E 80.43 7.33 20.57 28.42 112.79 -125.59 -83.50 129.11 8.92 91.04 0.04 7.62 0.86 0.06 0.01 0.01 0.00 91.29 0.14 44 V E E 22.41 20.27 11.26 30.95 118.76 -159.56 -107.31 133.61 12.94 87.01 0.05 12.61 0.47 0.04 0.03 0.02 0.00 83.28 3.55 45 K C E 141.49 2.88 19.54 22.70 102.52 -157.95 -94.41 7.93 62.22 37.71 0.07 30.05 32.51 0.99 0.01 0.08 0.00 35.25 1.10 46 G C S 31.83 3.88 20.78 24.73 139.67 -8.21 156.77 -178.01 86.72 13.25 0.02 4.41 80.93 1.04 0.00 0.02 0.00 13.40 0.20 47 P C C 80.20 5.47 19.35 25.57 114.66 -39.04 -67.16 143.67 86.33 13.64 0.03 78.35 7.08 0.35 0.00 0.04 0.00 13.51 0.67 48 V C C 22.40 22.27 10.24 31.51 120.61 -146.59 -108.55 135.04 68.79 31.14 0.07 70.79 1.19 0.08 0.03 0.03 0.00 14.28 13.59 49 R C C 122.67 3.74 22.16 26.05 130.04 -170.78 -122.57 158.39 77.11 22.80 0.10 76.85 2.21 0.16 0.03 0.06 0.00 9.04 11.65 50 E C T 121.61 6.82 14.86 23.06 109.10 -76.40 -59.01 134.12 94.38 2.05 3.57 0.67 3.82 90.30 0.19 3.35 0.00 1.32 0.35 51 N C T 117.74 2.71 18.72 21.91 94.11 18.91 80.11 0.25 94.18 1.23 4.59 1.25 4.48 88.04 0.24 4.80 0.00 1.08 0.11 52 D C C 39.72 14.26 13.83 28.61 118.49 126.44 -80.29 145.72 80.15 12.40 7.45 68.37 9.02 2.25 0.68 7.24 0.00 11.68 0.76 53 I E E 68.54 10.25 21.49 32.28 120.42 -143.12 -108.69 131.19 13.88 85.41 0.71 13.28 0.66 0.17 0.61 0.20 0.00 80.48 4.60 54 L E E 16.88 22.04 16.90 38.67 121.64 -160.76 -109.88 135.67 6.17 92.20 1.64 5.44 0.52 0.30 1.42 0.35 0.00 91.22 0.73 55 V E E 55.61 10.15 23.93 34.35 122.81 -164.32 -116.50 133.90 10.13 87.77 2.10 9.21 0.61 0.31 1.66 0.42 0.00 87.24 0.54 56 L E E 29.56 19.32 15.47 34.54 112.12 -127.78 -83.76 126.94 37.61 56.97 5.43 33.44 2.35 0.79 4.08 1.12 0.00 57.23 0.99 57 L C C 70.74 8.45 18.60 27.76 107.48 -146.84 -78.03 84.34 54.29 16.70 29.01 44.66 4.81 3.58 23.71 5.25 0.01 16.82 1.15 58 E H H 107.99 5.08 18.03 23.59 98.11 -91.02 -70.70 -29.91 44.76 7.35 47.89 28.13 9.00 8.35 40.24 7.12 0.04 6.23 0.89 59 S H H 43.28 7.71 15.27 24.38 96.46 59.32 -71.60 -32.23 37.64 3.12 59.24 26.82 5.41 6.91 50.77 7.12 0.02 2.33 0.63 60 E H H 75.67 9.27 14.18 24.60 93.14 58.98 -65.87 -39.33 12.97 0.55 86.48 8.78 2.22 3.33 80.89 4.28 0.01 0.37 0.13 61 R H H 123.80 3.30 16.27 20.17 92.63 52.41 -65.37 -40.37 8.49 0.35 91.16 4.58 1.43 3.14 86.31 4.19 0.02 0.25 0.08 62 E H H 96.62 2.76 15.64 18.85 92.40 50.49 -65.86 -39.35 8.87 0.36 90.77 4.30 1.37 3.63 85.61 4.70 0.02 0.27 0.09 63 A H H 36.96 6.65 11.41 20.35 92.10 53.11 -65.80 -38.65 11.29 0.28 88.42 5.23 1.72 4.60 82.17 6.00 0.01 0.18 0.09 64 R H H 134.02 3.31 12.47 17.18 92.42 54.19 -66.01 -37.29 20.18 0.38 79.44 7.14 2.54 10.14 70.59 9.19 0.02 0.23 0.15 65 R H H 163.29 1.42 11.75 13.54 93.21 54.93 -68.67 -30.58 35.34 0.56 64.09 10.04 3.71 20.86 56.70 8.08 0.04 0.31 0.27 66 L C H 112.97 2.57 9.31 13.38 96.43 56.50 -78.63 -13.63 54.62 0.74 44.64 29.10 1.82 22.83 41.20 4.27 0.00 0.35 0.43 67 R C C 163.62 3.11 11.53 16.25 101.85 97.59 -74.91 53.75 99.84 0.05 0.11 99.57 0.12 0.19 0.08 0.00 0.00 0.03 0.01