# 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 T C C 80.13 6.11 12.27 19.94 119.71 -171.02 -105.21 145.88 99.52 0.43 0.05 99.28 0.28 0.11 0.02 0.01 0.00 0.22 0.07 1 E C C 131.84 3.27 10.69 15.63 111.13 -125.04 -84.90 134.64 86.62 6.21 7.16 70.99 3.82 12.09 3.15 3.32 0.00 4.00 2.64 2 G C C 48.71 3.67 9.36 14.50 107.31 2.17 -71.46 -8.66 84.39 6.35 9.25 43.71 19.02 22.38 2.78 6.01 0.01 3.44 2.65 3 T C C 95.67 2.84 8.85 13.19 102.83 49.78 -82.35 -2.04 79.43 7.99 12.58 38.87 20.05 21.80 4.12 7.59 0.03 4.03 3.53 4 N C C 113.85 2.47 9.29 13.14 101.68 64.78 -82.61 13.51 77.25 5.79 16.96 37.38 22.02 19.17 6.21 9.60 0.03 2.67 2.91 5 E C C 122.32 3.10 9.10 13.84 104.75 98.11 -84.23 25.42 60.80 4.37 34.83 26.15 16.33 20.16 10.24 22.80 0.06 2.17 2.09 6 W C T 190.99 1.71 9.85 12.54 99.34 58.41 -75.85 -20.80 58.43 3.65 37.92 13.79 12.36 33.28 9.57 27.06 0.14 2.05 1.75 7 F C T 142.43 2.70 10.19 14.13 101.16 50.04 -88.80 1.96 59.64 4.50 35.86 14.52 13.09 33.15 9.57 24.77 0.19 2.43 2.28 8 G C C 42.05 4.66 11.69 17.81 109.62 -121.27 74.15 -15.07 77.69 8.13 14.19 38.63 19.27 20.93 4.82 8.56 0.04 4.05 3.70 9 V C C 83.40 5.90 9.65 17.16 109.77 62.97 -93.09 108.40 72.99 15.43 11.58 45.56 14.40 13.06 5.79 5.43 0.12 7.38 8.27 10 D C C 107.46 2.62 12.42 16.13 102.92 152.55 -90.50 15.18 82.42 6.64 10.95 49.03 19.53 14.09 6.05 4.81 0.01 3.62 2.85 11 D C C 70.12 5.00 10.89 17.76 117.09 103.95 -103.83 135.99 84.95 2.56 12.49 50.85 28.89 4.99 11.07 1.87 0.01 0.91 1.41 12 L H H 120.17 2.37 11.86 15.39 94.19 -135.79 -64.73 -31.82 16.38 0.30 83.32 3.80 4.40 9.44 79.89 2.10 0.09 0.12 0.16 13 R H H 154.77 1.46 13.19 14.69 92.65 55.30 -66.12 -38.87 8.78 0.23 90.99 1.78 1.29 6.08 88.47 2.09 0.08 0.13 0.09 14 L H H 72.57 4.73 11.98 18.55 92.50 50.29 -65.67 -40.75 3.19 0.15 96.66 0.86 0.42 1.97 94.92 1.67 0.02 0.11 0.03 15 L H H 81.44 3.89 13.28 18.61 92.07 51.77 -63.79 -41.11 1.41 0.09 98.50 0.49 0.18 0.75 97.78 0.73 0.00 0.07 0.01 16 A H H 61.45 1.70 15.26 16.47 91.57 50.61 -63.96 -41.56 0.66 0.03 99.30 0.16 0.06 0.40 98.86 0.49 0.00 0.02 0.00 17 V H H 81.37 2.27 14.70 17.27 91.95 49.69 -64.50 -41.77 0.51 0.04 99.45 0.09 0.04 0.35 98.97 0.52 0.00 0.03 0.00 18 L H H 84.59 3.89 13.44 18.68 91.97 49.96 -65.02 -41.02 0.87 0.03 99.10 0.08 0.05 0.68 98.51 0.65 0.00 0.02 0.00 19 F H H 128.77 1.77 14.82 16.36 92.54 49.31 -65.78 -39.84 3.30 0.04 96.65 0.18 0.16 2.97 95.86 0.77 0.01 0.03 0.01 20 L H H 103.35 1.42 14.93 15.51 92.65 49.37 -66.65 -38.67 7.98 0.06 91.96 0.51 0.52 6.80 91.50 0.60 0.02 0.03 0.02 21 G H H 35.50 3.06 13.31 17.42 93.74 51.16 -66.47 -40.46 8.21 0.10 91.68 1.89 1.15 4.75 91.59 0.53 0.01 0.05 0.04 22 H H H 108.69 2.93 13.61 17.46 92.74 52.31 -64.78 -40.53 2.94 0.04 97.02 0.71 0.32 1.78 96.64 0.52 0.00 0.02 0.01 23 W H H 162.57 1.51 15.01 15.94 92.46 50.10 -65.53 -40.32 0.86 0.01 99.12 0.15 0.07 0.58 98.84 0.36 0.00 0.01 0.00 24 A H H 61.56 1.94 14.54 16.41 92.45 49.93 -65.09 -41.20 0.57 0.01 99.42 0.09 0.04 0.40 99.17 0.29 0.00 0.00 0.00 25 I H H 92.43 2.47 14.16 17.17 92.18 49.47 -64.64 -42.18 0.29 0.00 99.71 0.03 0.02 0.21 99.54 0.20 0.00 0.00 0.00 26 L H H 91.36 2.45 14.14 17.15 92.13 49.81 -64.21 -41.31 0.24 0.00 99.76 0.02 0.01 0.18 99.54 0.25 0.00 0.00 0.00 27 S H H 61.47 1.91 13.96 16.04 92.06 50.90 -64.31 -40.74 0.48 0.00 99.52 0.03 0.02 0.40 99.18 0.37 0.00 0.00 0.00 28 L H H 101.48 1.58 14.00 15.35 92.12 50.28 -65.13 -40.96 0.88 0.00 99.12 0.04 0.03 0.78 98.61 0.53 0.00 0.00 0.00 29 W H H 146.63 2.36 12.98 16.01 92.87 48.93 -66.97 -39.32 2.09 0.01 97.90 0.15 0.12 1.75 96.96 1.01 0.01 0.00 0.00 30 L H H 99.32 2.86 11.84 15.82 93.08 51.78 -68.20 -34.47 6.94 0.06 93.00 0.77 0.64 5.50 91.12 1.88 0.03 0.03 0.03 31 G H H 50.05 2.00 12.06 14.69 94.60 53.31 -69.45 -32.34 20.96 0.18 78.86 2.28 2.07 16.78 75.30 3.30 0.09 0.08 0.10 32 S H H 84.50 1.53 11.55 13.47 97.44 54.58 -78.69 -19.40 36.00 0.51 63.49 5.66 4.69 26.26 58.59 4.16 0.13 0.24 0.29 33 Y C H 157.81 2.64 9.79 13.78 104.54 49.89 -96.17 8.24 51.67 2.78 45.56 16.60 11.54 26.31 38.12 4.50 0.27 1.25 1.40 34 G C C 50.17 3.04 9.94 14.61 115.77 93.76 -97.96 168.09 80.99 2.71 16.31 31.09 20.00 30.88 11.13 4.33 0.03 1.28 1.25 35 D C C 117.56 1.77 10.74 13.69 110.15 -91.46 -91.07 112.62 89.59 2.38 8.03 44.07 21.51 24.82 3.45 3.85 0.00 1.16 1.14 36 S C C 73.61 4.69 7.60 14.10 114.76 -162.97 -96.31 129.58 91.38 2.86 5.76 58.22 24.04 9.21 2.44 3.08 0.00 1.30 1.71 37 N C C 112.65 2.47 9.36 13.33 110.77 -160.23 -94.37 113.54 91.30 2.34 6.36 70.68 12.16 8.29 2.47 3.84 0.00 1.21 1.35 38 E C C 143.45 2.44 8.44 12.61 102.28 -155.01 -81.34 2.79 78.96 2.09 18.95 37.81 16.04 25.74 5.07 13.20 0.01 1.02 1.11 39 D C C 119.53 1.30 9.33 11.51 105.19 75.22 -90.31 40.95 77.76 2.18 20.06 35.53 16.05 26.96 5.30 13.95 0.01 1.05 1.15 40 E C C 125.80 3.36 8.08 13.40 114.35 120.41 -96.17 133.11 75.49 2.58 21.93 42.71 18.55 14.61 6.53 15.01 0.01 1.28 1.31 41 D C C 108.08 2.51 9.10 13.34 113.81 -148.18 -95.60 126.36 80.13 3.76 16.12 50.59 15.14 14.49 6.16 9.89 0.01 2.09 1.64 42 F C C 144.94 3.42 7.76 13.03 111.43 -165.16 -98.69 110.83 73.53 10.55 15.92 46.12 14.41 13.44 6.60 9.08 0.04 6.21 4.11 43 F C C 155.70 2.10 8.50 12.17 112.89 86.83 -99.98 118.96 68.61 12.55 18.83 33.13 13.98 22.96 7.55 10.38 0.15 7.85 4.00 44 G C C 54.35 2.23 9.80 13.41 113.98 33.24 98.33 -156.90 71.44 9.92 18.64 27.71 20.12 25.66 6.23 11.09 0.09 6.78 2.32 45 E C C 145.76 1.76 10.22 13.17 112.93 -72.10 -91.31 130.41 68.14 13.60 18.27 37.81 16.76 14.63 7.17 10.56 0.08 9.86 3.12 46 I C C 111.83 4.32 7.66 13.93 116.39 -139.38 -96.54 131.49 65.70 18.75 15.56 40.36 15.79 9.42 9.27 6.29 0.16 11.97 6.74 47 D C C 95.92 3.17 8.84 13.79 110.89 -151.70 -95.94 112.48 78.18 9.94 11.88 60.66 10.88 6.38 7.60 4.46 0.01 7.27 2.75 48 Y C C 161.40 3.06 7.99 12.90 99.62 -169.53 -78.85 -10.34 70.64 6.03 23.33 35.73 12.40 23.81 9.30 13.07 0.03 3.94 1.71 49 S C C 85.61 1.70 7.97 10.96 100.38 79.71 -81.07 -7.07 75.20 3.60 21.20 31.71 14.85 29.92 7.13 12.97 0.03 2.02 1.37 50 A C C 85.13 2.06 7.14 10.81 104.52 77.33 -84.22 30.93 83.10 2.35 14.56 66.34 3.88 13.78 5.05 8.46 0.00 1.38 1.09 51 R C C 168.87 2.43 9.61 13.69 107.91 109.32 -87.55 99.88 99.77 0.13 0.10 99.51 0.18 0.15 0.06 0.01 0.00 0.07 0.02