# 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 90.94 1.77 11.62 14.39 112.75 -152.55 -98.23 123.73 99.82 0.17 0.01 99.77 0.09 0.02 0.00 0.00 0.00 0.10 0.01 1 I C C 110.40 5.17 6.98 14.04 117.76 -159.96 -106.60 130.89 83.27 16.13 0.60 82.23 0.81 0.72 0.21 0.22 0.00 13.77 2.04 2 T C C 114.59 0.96 10.50 11.95 116.93 -152.83 -102.46 128.96 74.43 24.90 0.68 65.55 6.29 1.36 0.25 0.46 0.00 21.31 4.79 3 L C C 102.42 6.47 6.66 14.79 118.45 -158.38 -104.08 129.94 84.27 15.32 0.41 73.93 9.54 0.58 0.20 0.23 0.00 13.16 2.36 4 P C C 96.51 2.35 10.72 14.53 115.71 -118.56 -70.95 150.23 93.23 5.54 1.23 84.30 6.27 2.59 0.35 0.77 0.00 4.97 0.76 5 S C C 94.18 1.59 9.48 12.63 114.41 -111.52 -80.81 140.03 90.78 5.29 3.94 73.33 11.29 6.10 1.42 2.49 0.00 3.55 1.81 6 H C C 128.15 4.95 7.18 13.94 116.56 -146.51 -97.53 137.36 85.51 7.39 7.11 68.40 10.94 5.57 3.38 3.80 0.00 4.04 3.88 7 A C C 81.32 2.45 9.78 13.53 114.73 -126.67 -82.87 149.34 78.60 3.91 17.49 48.97 15.12 14.79 6.58 10.73 0.00 2.47 1.33 8 S C C 90.33 1.95 9.75 13.10 113.56 -101.43 -87.25 135.53 73.51 5.16 21.33 42.37 15.11 16.70 8.46 12.39 0.02 3.27 1.69 9 Q C C 119.98 4.61 8.53 15.03 118.58 -167.05 -112.23 134.26 68.51 8.83 22.66 47.44 12.61 8.64 10.51 12.16 0.02 6.19 2.43 10 K C C 150.95 2.15 10.79 14.39 114.67 -153.93 -99.79 129.03 67.08 13.70 19.21 47.93 11.46 7.35 11.93 7.67 0.04 10.25 3.38 11 L C C 103.34 5.92 8.30 15.90 113.79 -135.78 -89.01 127.69 66.96 16.50 16.55 50.78 9.30 5.98 11.35 5.85 0.04 12.54 4.15 12 E C C 128.09 3.81 10.37 15.93 113.86 -155.83 -96.76 127.93 71.84 13.58 14.58 47.57 15.58 8.48 10.15 4.87 0.06 9.55 3.74 13 T C C 82.66 4.30 9.60 15.69 116.36 -156.38 -102.81 132.26 80.41 9.08 10.51 52.46 17.92 9.97 6.33 4.37 0.02 5.79 3.14 14 R C T 163.12 3.84 9.06 14.74 99.16 -140.08 -74.27 -10.08 88.57 3.27 8.16 31.94 16.62 40.98 3.22 4.18 0.01 1.95 1.08 15 S C T 96.42 0.95 11.37 12.05 99.36 60.51 -87.15 -0.52 92.08 1.70 6.22 25.34 22.71 44.56 1.78 3.99 0.00 0.94 0.68 16 S C C 57.94 5.83 8.23 15.80 117.90 98.02 -93.59 142.08 92.29 3.86 3.85 49.87 35.87 6.77 1.18 2.52 0.00 1.91 1.87 17 T C C 106.67 2.18 11.45 14.60 101.23 -141.48 -82.53 -5.93 83.74 7.66 8.60 47.29 21.54 15.57 3.05 5.29 0.01 4.76 2.48 18 W C C 154.91 5.04 10.77 17.28 108.92 72.44 -90.35 86.59 74.62 14.83 10.55 36.47 23.46 16.17 4.62 5.57 0.09 9.22 4.40 19 L C C 71.35 10.17 9.35 20.27 113.63 -112.10 -88.16 132.13 74.47 16.42 9.10 54.15 14.72 4.84 6.08 3.67 0.04 10.28 6.23 20 E C C 110.72 3.63 13.60 18.39 116.82 -144.00 -86.57 150.80 84.67 8.99 6.33 77.66 4.73 2.04 5.34 1.39 0.00 5.92 2.92 21 S H H 70.85 3.96 11.75 17.13 97.20 -111.99 -65.17 -40.00 24.52 0.63 74.84 7.78 6.91 11.49 69.26 3.87 0.09 0.33 0.26 22 R H H 163.62 1.55 14.02 15.45 94.76 48.03 -68.15 -36.88 19.02 0.34 80.64 3.89 3.80 11.98 76.29 3.60 0.11 0.18 0.15 23 E H H 93.41 4.85 14.13 20.19 94.67 50.41 -68.72 -38.29 12.30 0.46 87.25 5.70 2.01 5.60 82.57 3.65 0.03 0.28 0.16 24 Y H H 71.83 11.48 12.32 24.73 92.33 54.00 -64.09 -41.49 2.89 0.06 97.05 1.53 0.38 1.08 96.22 0.74 0.00 0.03 0.01 25 S H H 58.28 4.04 16.87 21.72 92.06 51.49 -64.97 -40.36 1.37 0.03 98.60 0.54 0.14 0.64 98.30 0.35 0.00 0.02 0.00 26 K H H 116.29 2.22 18.91 20.40 92.21 50.07 -65.66 -40.99 0.81 0.01 99.18 0.21 0.08 0.47 99.02 0.21 0.00 0.01 0.00 27 Y H H 62.93 11.10 16.48 28.64 92.20 49.39 -65.00 -42.18 0.41 0.01 99.58 0.09 0.04 0.25 99.54 0.08 0.00 0.00 0.00 28 L H H 49.58 12.33 16.41 29.40 91.89 50.40 -63.89 -41.95 0.11 0.00 99.89 0.02 0.01 0.06 99.89 0.02 0.00 0.00 0.00 29 I H H 90.92 2.80 20.40 22.63 91.54 49.80 -64.06 -41.74 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 30 K H H 99.92 4.04 20.43 24.62 91.90 49.50 -65.43 -41.20 0.12 0.00 99.88 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 31 V H H 22.82 15.53 16.25 32.34 92.10 49.17 -65.11 -42.35 0.22 0.00 99.77 0.02 0.01 0.15 99.78 0.04 0.00 0.00 0.00 32 E H H 72.32 9.88 18.23 28.77 91.67 51.37 -63.35 -40.87 0.73 0.00 99.27 0.08 0.04 0.51 99.28 0.09 0.00 0.00 0.00 33 N H H 87.77 2.08 20.60 21.36 91.84 50.25 -65.13 -40.33 3.21 0.00 96.78 0.22 0.16 2.66 96.61 0.33 0.00 0.00 0.00 34 W H H 84.74 7.72 16.90 26.05 92.51 50.19 -65.81 -40.79 3.10 0.01 96.89 0.21 0.20 2.57 95.82 1.19 0.01 0.00 0.00 35 I H H 35.96 15.23 12.39 27.85 92.30 51.05 -65.97 -38.89 4.10 0.02 95.88 0.31 0.33 3.31 93.65 2.37 0.01 0.01 0.01 36 L H H 107.26 3.63 15.93 20.30 92.91 49.92 -69.29 -32.35 10.47 0.02 89.51 0.40 0.60 9.48 87.60 1.88 0.02 0.01 0.01 37 R H H 169.37 1.27 16.39 16.73 95.58 46.26 -80.44 -28.22 19.28 0.04 80.67 0.74 2.13 16.40 79.73 0.91 0.05 0.01 0.03 38 N C C 63.99 7.74 12.36 21.79 112.44 30.00 -131.06 85.30 99.53 0.17 0.29 82.22 16.93 0.32 0.26 0.05 0.00 0.04 0.18 39 P H H 76.37 8.07 14.09 23.83 93.64 -177.98 -62.82 -32.02 30.98 0.05 68.97 2.06 1.49 27.00 61.78 7.60 0.02 0.03 0.04 40 G H H 35.81 5.48 18.79 25.21 91.97 57.23 -63.76 -38.46 22.28 0.05 77.67 1.16 1.09 20.09 71.40 6.18 0.03 0.02 0.03 41 Y H H 68.42 12.27 18.59 31.26 92.13 51.96 -65.83 -38.70 5.04 0.07 94.89 1.45 0.54 2.84 89.90 5.19 0.01 0.05 0.02 42 A H H 22.20 15.86 17.15 33.37 91.16 53.26 -62.38 -42.03 1.44 0.03 98.54 0.60 0.20 0.67 97.60 0.91 0.00 0.01 0.01 43 L H H 83.82 5.96 23.84 29.87 91.72 50.25 -64.46 -41.56 0.47 0.01 99.52 0.15 0.04 0.25 99.12 0.43 0.00 0.01 0.00 44 V H H 62.16 7.28 23.82 31.67 91.64 49.54 -64.56 -42.37 0.27 0.03 99.70 0.06 0.02 0.15 99.48 0.26 0.00 0.03 0.00 45 A H H 17.06 17.73 20.19 37.72 91.37 50.78 -63.69 -41.99 0.38 0.03 99.59 0.06 0.02 0.24 99.43 0.21 0.00 0.03 0.00 46 A H H 33.33 13.35 22.10 35.30 91.56 51.12 -63.84 -42.07 0.95 0.03 99.02 0.11 0.05 0.69 98.90 0.23 0.00 0.01 0.00 47 V H H 69.15 5.82 25.22 31.34 91.61 49.84 -64.25 -42.53 1.41 0.05 98.54 0.18 0.09 1.04 98.33 0.32 0.00 0.03 0.01 48 I H H 47.46 12.35 22.67 35.22 91.61 50.06 -64.41 -42.08 1.53 0.12 98.35 0.29 0.13 1.05 97.40 1.00 0.00 0.11 0.01 49 G H H 11.20 17.88 18.02 35.99 91.43 52.66 -62.93 -40.85 2.47 0.27 97.27 0.33 0.19 1.87 94.07 3.23 0.01 0.28 0.01 50 W H H 119.07 9.46 21.38 30.85 91.89 51.49 -66.57 -35.28 6.07 0.42 93.51 0.54 0.43 5.11 88.52 4.87 0.04 0.46 0.04 51 T H H 69.93 6.69 21.46 28.40 93.47 51.14 -74.27 -30.33 12.07 0.56 87.36 1.14 1.06 10.01 83.61 3.51 0.10 0.46 0.11 52 L H H 54.98 13.85 16.49 30.17 98.57 62.63 -81.87 -15.70 31.89 7.85 60.26 9.14 6.64 18.75 54.70 3.19 0.66 4.62 2.31 53 G C C 25.00 12.83 14.40 27.19 119.94 77.86 -79.14 170.21 70.01 14.60 15.39 41.98 10.20 16.89 14.80 2.35 0.06 9.95 3.78 54 S C C 67.94 6.18 15.27 22.43 110.77 -125.79 -97.86 92.03 75.81 15.61 8.57 38.04 21.93 17.07 6.04 2.76 0.08 10.19 3.89 55 S C S 69.17 4.19 13.46 18.74 118.53 34.76 -104.94 157.29 85.15 6.05 8.80 30.68 35.69 19.55 5.46 3.12 0.03 3.66 1.82 56 R C S 171.56 2.97 13.02 16.93 96.63 -87.78 -73.08 -16.98 74.58 1.79 23.63 19.60 29.28 25.74 19.02 4.64 0.03 0.94 0.74 57 S C H 74.39 3.43 14.28 18.54 101.36 56.31 -84.51 -14.86 64.61 3.71 31.68 22.48 20.93 21.88 26.36 4.95 0.09 2.26 1.04 58 Q C C 82.70 9.58 12.98 23.37 107.34 59.31 -85.12 84.47 53.22 11.51 35.27 36.62 9.12 7.11 32.05 3.96 0.07 9.45 1.63 59 K H H 100.58 8.91 16.19 25.61 99.77 92.78 -76.39 -22.12 33.08 23.58 43.34 24.46 3.92 3.55 40.84 2.80 0.04 22.93 1.45 60 I H H 72.61 10.03 16.64 27.10 96.96 64.00 -72.92 -35.11 14.73 33.74 51.53 9.99 1.40 1.65 50.63 1.76 0.01 33.89 0.68 61 I H H 72.12 9.51 18.24 28.17 96.50 70.58 -69.00 -40.53 8.34 35.87 55.79 5.00 0.73 1.00 55.09 1.30 0.01 36.58 0.30 62 F H H 83.28 10.09 18.24 28.58 94.26 56.23 -68.46 -41.07 5.67 34.02 60.31 3.13 0.48 0.75 59.67 1.09 0.00 34.68 0.19 63 V H H 56.91 9.46 17.86 27.99 92.83 52.31 -64.96 -42.04 4.68 28.19 67.13 2.60 0.41 0.67 65.55 1.11 0.00 29.52 0.14 64 T H H 56.20 7.27 18.15 26.40 92.43 51.14 -63.89 -42.48 3.83 20.18 76.00 2.02 0.39 0.73 73.33 1.52 0.00 21.89 0.12 65 L H H 68.17 8.37 17.90 27.00 92.27 50.71 -64.47 -41.15 3.13 10.87 86.00 1.45 0.39 0.93 82.03 2.61 0.01 12.48 0.10 66 L H H 63.59 10.11 16.82 27.67 92.36 51.20 -65.64 -39.92 3.25 6.59 90.16 1.27 0.43 1.29 85.03 4.09 0.01 7.77 0.10 67 M H H 85.78 8.35 16.71 25.85 92.54 52.41 -68.19 -33.84 7.16 6.62 86.22 1.99 0.84 4.03 80.04 5.58 0.08 7.22 0.23 68 L H H 92.30 6.51 16.30 23.56 93.93 54.03 -75.10 -24.25 20.22 9.08 70.70 4.43 2.33 13.04 65.41 5.41 0.31 8.28 0.77 69 V H H 80.01 7.48 14.77 23.04 99.39 50.83 -91.13 -9.72 31.08 17.43 51.49 9.76 6.66 16.46 47.51 3.54 0.70 12.60 2.77 70 A C C 47.91 10.28 11.19 22.47 117.54 103.07 -81.82 140.25 72.70 12.82 14.49 37.56 29.11 6.33 12.19 2.84 0.07 9.84 2.06 71 P C C 83.76 4.93 13.18 19.46 111.52 -104.99 -68.70 146.53 74.22 8.53 17.24 49.95 10.73 13.60 10.38 6.82 0.02 6.93 1.57 72 A C C 73.10 5.76 10.84 18.13 107.36 -126.45 -79.96 100.68 71.55 9.27 19.17 43.82 11.05 17.59 9.80 8.63 0.04 6.30 2.78 73 Y C C 156.17 4.32 9.54 15.52 109.63 61.38 -91.58 91.02 80.85 6.62 12.52 65.89 3.12 12.31 7.47 4.17 0.00 4.41 2.63 74 S C C 79.39 3.80 11.67 17.20 114.33 -164.03 -100.06 136.90 99.81 0.15 0.04 99.66 0.12 0.09 0.02 0.00 0.00 0.09 0.02