# 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 E C C 138.95 2.74 12.52 16.93 119.72 -161.25 -102.83 139.23 97.20 2.78 0.01 97.36 0.15 0.06 0.00 0.00 0.00 2.29 0.13 1 G C C 45.66 4.17 10.06 16.19 128.79 152.53 -135.99 170.85 63.55 35.13 1.31 55.21 4.37 3.07 0.38 0.82 0.00 34.30 1.85 2 V E E 106.16 3.67 9.60 15.13 120.47 -113.37 -110.66 134.64 37.02 59.37 3.61 26.26 7.59 3.92 1.36 2.24 0.01 56.04 2.59 3 L E E 109.96 4.66 9.84 16.30 117.99 -158.50 -104.78 131.08 31.67 63.97 4.36 18.78 9.72 5.31 1.49 2.41 0.03 60.73 1.51 4 Y E E 145.40 4.29 10.61 16.88 120.99 -157.63 -112.23 133.00 29.44 66.75 3.81 21.05 6.02 3.41 1.40 2.07 0.01 64.27 1.77 5 V E E 98.00 4.65 10.25 16.88 119.63 -166.50 -114.40 133.80 41.47 55.76 2.78 28.79 8.46 5.60 0.89 1.79 0.01 52.50 1.96 6 G C E 42.11 4.36 11.43 17.40 126.65 100.63 -153.54 175.41 56.84 41.64 1.52 26.76 22.68 8.88 0.25 1.24 0.00 39.01 1.18 7 S C E 78.36 2.99 11.40 16.11 121.77 -94.20 -113.71 146.41 54.33 43.93 1.73 35.41 16.20 4.10 0.37 1.30 0.00 41.18 1.43 8 K E E 138.36 3.57 9.20 14.82 119.31 -136.43 -103.19 137.48 40.56 57.01 2.42 32.25 5.65 1.70 1.35 1.33 0.02 43.06 14.64 9 T C C 78.06 4.07 7.18 13.21 121.15 -146.51 -100.73 158.57 68.12 29.98 1.90 62.36 3.54 1.49 0.78 1.11 0.00 26.55 4.17 10 K C T 175.01 0.74 8.32 9.41 99.03 -116.27 -77.70 -8.84 70.45 21.97 7.58 12.71 15.38 44.23 1.86 5.37 0.07 17.55 2.83 11 E C T 162.74 0.56 8.45 8.64 101.48 50.61 -90.37 30.69 89.24 4.43 6.33 8.15 15.41 65.63 1.40 4.86 0.02 3.58 0.94 12 G C S 59.55 1.33 8.70 10.78 100.69 -85.03 83.28 2.45 88.31 5.91 5.79 20.81 42.25 25.81 1.15 4.35 0.01 4.40 1.23 13 V C C 103.10 2.15 7.00 11.03 116.61 124.02 -97.76 135.49 71.70 25.43 2.87 55.16 11.65 4.37 1.54 1.58 0.02 19.66 6.03 14 V E E 109.86 2.44 7.84 12.10 114.58 -145.14 -98.16 128.39 44.55 50.61 4.83 31.65 9.16 4.00 3.18 2.10 0.05 36.58 13.29 15 H C E 147.43 1.94 9.39 12.92 116.39 -163.39 -106.85 136.98 54.85 38.65 6.50 32.48 14.46 9.53 3.62 2.84 0.04 34.44 2.59 16 G C C 50.68 2.92 10.01 14.50 123.12 -24.22 -146.06 165.52 57.93 31.28 10.79 31.16 18.76 9.23 7.14 3.54 0.08 27.84 2.24 17 V C C 101.70 4.26 8.51 14.81 119.87 -129.78 -107.88 136.23 49.93 32.38 17.70 37.00 7.46 4.45 14.54 3.72 0.06 29.19 3.58 18 T C C 93.60 3.46 10.22 15.62 118.03 -164.14 -111.75 137.31 49.27 30.88 19.85 35.56 8.01 4.48 16.89 3.59 0.04 29.04 2.40 19 T C E 92.23 4.03 10.70 16.62 120.70 -155.63 -110.65 140.56 41.05 31.36 27.59 28.12 7.28 4.49 24.13 4.04 0.06 29.81 2.08 20 V C H 94.72 4.55 9.72 16.20 119.47 -158.88 -109.67 135.97 38.05 28.76 33.18 27.02 5.70 4.32 29.13 4.21 0.05 27.45 2.11 21 A C H 66.34 4.97 9.83 16.60 116.32 -132.08 -89.52 142.17 39.23 23.81 36.96 28.01 5.53 4.90 31.80 5.02 0.06 22.70 1.98 22 E C H 126.23 3.41 11.17 16.20 112.31 -137.99 -89.28 130.80 40.36 19.69 39.94 26.94 6.90 6.40 33.77 5.82 0.12 17.98 2.07 23 K C H 123.90 4.28 11.01 16.85 112.90 -134.95 -85.33 133.33 44.87 15.97 39.16 31.00 7.25 6.72 33.25 5.62 0.08 13.88 2.20 24 T C H 72.34 5.03 10.50 17.23 110.41 -136.88 -89.50 132.57 49.51 8.65 41.85 36.04 7.51 6.30 37.16 4.56 0.03 6.80 1.60 25 K H H 138.77 3.07 11.62 16.04 96.07 -120.93 -68.73 -33.41 33.13 3.71 63.15 18.30 7.33 9.38 51.48 9.81 0.10 2.79 0.81 26 E H H 129.52 1.77 13.62 15.41 95.02 56.29 -69.98 -35.51 32.85 3.35 63.80 14.91 6.21 12.62 51.81 10.90 0.14 2.69 0.72 27 Q H H 94.60 4.53 12.47 18.30 96.06 53.53 -74.20 -29.84 34.75 2.89 62.36 18.24 5.20 11.82 50.12 11.58 0.07 2.29 0.67 28 V H H 68.97 7.89 10.01 19.22 95.28 61.28 -69.89 -33.61 26.54 4.56 68.90 15.25 4.25 7.64 51.17 17.08 0.07 3.85 0.70 29 T H H 97.79 2.40 13.47 16.54 96.33 57.48 -75.96 -20.21 30.68 6.92 62.39 13.24 4.81 12.33 47.70 14.56 0.16 6.25 0.94 30 N H H 116.95 1.84 12.75 15.04 99.27 55.74 -87.59 -4.18 33.15 10.92 55.94 11.90 5.93 15.26 42.97 12.51 0.40 9.50 1.53 31 V C H 85.50 5.65 8.98 16.18 107.91 89.78 -88.32 85.48 43.21 18.88 37.91 20.84 10.29 13.40 32.56 5.14 0.45 13.36 3.97 32 G C C 50.89 3.13 11.62 15.99 107.75 -127.50 -62.41 5.18 67.67 10.49 21.83 28.48 11.27 26.99 18.87 4.40 0.10 8.00 1.88 33 G C T 50.10 3.38 12.31 16.82 110.78 26.04 28.71 -127.34 63.86 7.24 28.90 18.07 16.55 29.28 22.07 6.82 0.34 5.30 1.57 34 A C H 76.80 3.44 11.78 16.51 103.13 -11.25 -80.64 -11.93 48.54 17.65 33.82 23.14 11.44 14.11 26.98 6.73 0.29 15.24 2.07 35 V E E 100.10 3.82 11.63 16.90 109.88 66.80 -93.07 101.97 33.38 34.46 32.16 17.82 7.45 9.08 27.15 5.51 0.52 29.31 3.16 36 V E E 88.30 5.69 10.93 18.06 109.66 59.56 -94.57 103.57 30.30 38.87 30.83 17.93 6.43 6.71 27.90 4.49 0.33 32.48 3.73 37 T C E 91.12 3.44 13.04 17.64 108.99 118.40 -93.33 85.00 44.53 29.17 26.30 23.29 10.53 10.42 23.77 4.08 0.22 25.12 2.55 38 G C C 41.63 4.46 13.95 19.28 104.59 26.88 -76.00 -7.26 59.98 14.31 25.71 33.28 14.99 11.22 23.20 3.45 0.10 11.81 1.95 39 V H H 86.48 5.53 12.06 18.92 98.16 50.00 -71.48 -32.64 29.98 6.53 63.48 21.29 5.43 5.15 57.49 4.06 0.06 5.42 1.10 40 T H H 85.09 3.12 14.26 18.11 96.69 58.23 -69.92 -36.56 27.54 7.44 65.02 19.69 3.83 5.42 58.37 4.61 0.08 7.02 0.98 41 A H H 58.16 3.60 14.22 18.78 96.13 52.90 -68.84 -39.51 20.39 10.51 69.10 13.49 3.34 5.23 60.67 5.69 0.11 10.35 1.13 42 V H H 76.79 4.53 13.26 19.04 96.04 51.52 -69.71 -39.11 19.74 11.86 68.41 12.02 3.42 5.91 60.78 5.11 0.17 11.18 1.40 43 A H H 57.43 4.85 12.12 18.51 96.29 54.00 -69.16 -36.11 32.57 8.49 58.93 19.81 4.57 9.05 53.79 3.79 0.09 7.61 1.29 44 Q H H 118.52 2.72 12.91 16.50 97.90 56.69 -73.63 -28.23 41.15 7.93 50.92 19.49 6.68 15.37 46.47 3.85 0.13 6.69 1.31 45 K C H 138.44 2.48 12.71 16.06 98.86 53.68 -76.71 -23.59 46.36 7.57 46.08 22.57 9.11 15.08 41.87 3.82 0.13 6.00 1.43 46 T C H 84.56 3.70 11.55 16.57 104.59 55.84 -90.55 -12.39 53.81 10.49 35.70 31.09 10.49 12.24 32.52 3.60 0.11 7.59 2.37 47 V C C 92.59 4.37 9.90 15.79 106.98 63.91 -88.49 54.42 56.71 12.61 30.68 29.84 14.92 12.93 26.41 4.19 0.31 7.36 4.03 48 E C T 144.05 1.94 11.90 14.84 104.07 -90.88 -73.26 81.51 72.25 4.49 23.25 12.72 11.27 46.70 19.21 5.47 0.14 2.69 1.79 49 G C T 54.62 2.55 13.26 16.54 100.12 16.68 35.37 -4.06 78.84 1.80 19.36 16.05 12.48 50.08 14.62 4.97 0.03 1.02 0.76 50 A C C 61.28 5.75 11.34 18.57 101.24 79.06 -79.68 -15.72 64.27 3.96 31.77 39.28 11.75 12.78 27.24 5.21 0.03 2.01 1.69 51 G C H 40.21 5.54 14.08 20.75 103.63 60.12 -63.00 -41.24 56.84 4.80 38.37 30.92 12.75 13.76 33.37 4.86 0.07 2.91 1.37 52 S C H 62.76 5.42 14.20 20.54 100.43 40.90 -77.80 -23.46 47.75 6.48 45.77 32.99 8.20 7.37 41.32 4.11 0.03 4.64 1.34 53 I H H 87.46 5.13 14.14 20.41 97.88 65.94 -71.91 -38.43 18.76 11.18 70.06 12.41 3.85 4.31 64.99 3.51 0.13 9.60 1.20 54 A H H 46.97 6.64 12.53 20.76 94.86 53.41 -66.30 -39.46 13.34 13.30 73.36 8.24 2.42 3.80 67.19 4.55 0.16 12.61 1.01 55 A H H 63.15 4.73 12.62 18.46 94.90 53.39 -68.55 -36.75 13.20 8.73 78.07 7.54 2.26 4.56 68.46 7.53 0.14 8.82 0.70 56 A H H 81.71 2.17 12.21 15.15 94.74 54.32 -71.75 -25.68 21.90 5.29 72.81 6.99 3.64 12.16 62.87 8.25 0.49 4.65 0.95 57 T C T 88.79 2.83 12.00 15.80 97.26 51.56 -86.97 -4.23 53.01 2.42 44.57 5.06 6.97 39.20 39.02 6.73 0.51 1.54 0.96 58 G C T 52.97 3.40 11.77 16.38 97.70 -111.68 80.13 7.99 94.20 3.26 2.54 14.68 19.86 60.14 0.93 1.31 0.00 2.49 0.58 59 F C C 131.59 3.76 11.25 16.32 101.95 116.37 -86.56 -6.04 77.88 20.64 1.48 46.67 25.86 5.86 0.49 1.05 0.00 17.33 2.74 60 V E E 78.39 6.88 8.58 17.13 121.85 71.16 -114.34 139.60 48.52 50.05 1.43 32.66 13.76 2.76 0.66 1.03 0.02 39.20 9.91 61 K C C 136.15 2.75 10.41 14.92 118.39 -149.01 -102.73 139.13 56.48 42.29 1.23 47.30 6.40 1.73 0.49 0.91 0.00 37.24 5.94 62 K C C 153.53 2.74 8.28 12.94 106.85 -120.70 -76.72 118.03 77.06 20.09 2.85 41.23 23.47 13.65 0.52 2.35 0.01 16.91 1.86 63 D C C 117.48 1.56 8.09 10.98 110.20 -111.89 -86.23 118.91 94.30 4.12 1.58 71.56 10.84 11.73 0.26 1.41 0.00 3.40 0.79 64 Q C C 138.57 2.20 10.07 13.81 106.19 -126.54 -81.22 92.01 99.75 0.19 0.06 99.56 0.17 0.12 0.01 0.01 0.00 0.11 0.02