# 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 K C C 139.16 3.47 11.30 16.50 116.05 -143.14 -88.18 139.57 99.93 0.05 0.03 99.83 0.09 0.03 0.01 0.00 0.00 0.02 0.01 1 S C C 69.11 4.16 8.10 14.10 114.44 -121.45 -82.68 146.28 83.64 0.83 15.52 80.58 0.84 3.67 12.48 1.58 0.00 0.32 0.52 2 K C H 162.46 1.32 9.55 11.76 97.40 -130.19 -72.96 -23.97 56.15 0.78 43.07 26.41 12.27 18.55 37.11 4.88 0.02 0.32 0.45 3 N C H 106.56 2.70 9.12 13.35 101.52 56.54 -90.53 8.17 51.41 0.86 47.73 25.89 11.21 15.91 40.97 5.17 0.02 0.34 0.49 4 H H H 111.95 4.48 9.46 15.57 102.14 104.98 -83.82 -7.49 35.58 0.75 63.67 24.60 6.37 6.10 58.26 4.01 0.01 0.32 0.33 5 T H H 81.64 3.33 11.38 15.96 103.98 87.98 -81.50 -25.29 27.92 0.61 71.47 18.72 4.76 5.74 67.25 3.02 0.01 0.28 0.23 6 A H H 66.21 3.36 12.04 16.53 97.96 55.96 -72.33 -30.65 19.63 0.40 79.97 11.81 3.91 5.11 76.25 2.59 0.01 0.19 0.14 7 H H H 106.33 4.02 12.21 17.58 96.53 59.37 -71.51 -36.71 16.18 0.32 83.49 8.92 3.30 5.02 80.17 2.31 0.01 0.15 0.12 8 N H H 86.37 3.84 13.02 17.91 96.09 53.58 -69.69 -35.85 14.88 0.28 84.83 8.42 2.57 4.75 81.91 2.09 0.01 0.14 0.10 9 Q H H 104.60 3.54 13.47 17.91 94.39 54.55 -68.24 -36.61 11.70 0.22 88.08 5.72 2.14 4.32 85.78 1.84 0.01 0.10 0.08 10 T H H 70.12 4.45 13.12 18.81 95.34 51.36 -70.42 -37.70 13.23 0.28 86.49 6.85 2.21 4.61 84.30 1.77 0.01 0.14 0.10 11 R H H 130.88 2.79 14.49 17.78 94.32 54.32 -67.21 -39.89 10.65 0.24 89.11 4.71 1.87 4.47 86.97 1.74 0.03 0.12 0.08 12 K H H 101.20 3.43 14.00 18.39 94.26 52.05 -66.62 -39.81 8.28 0.19 91.53 3.57 1.54 3.71 89.14 1.84 0.03 0.10 0.07 13 A H H 45.43 5.85 11.52 19.29 93.19 53.04 -66.32 -39.49 6.69 0.16 93.15 2.77 1.03 3.25 89.76 3.02 0.03 0.09 0.06 14 H H H 124.45 2.81 12.69 16.40 94.58 49.46 -71.78 -35.38 8.47 0.23 91.30 2.67 1.26 5.01 86.66 4.12 0.06 0.13 0.09 15 R H H 162.41 1.69 12.75 14.62 96.63 48.79 -77.89 -31.22 13.97 0.24 85.79 2.52 2.11 9.78 81.85 3.42 0.09 0.11 0.12 16 N H H 102.46 3.12 11.54 15.67 100.62 30.82 -98.03 0.43 35.28 0.25 64.47 4.48 6.14 25.01 62.26 1.78 0.07 0.08 0.17 17 G C T 49.56 3.21 11.57 16.21 102.18 -115.49 78.97 10.03 95.73 0.69 3.58 35.02 24.57 36.47 1.32 1.96 0.00 0.31 0.35 18 I C C 98.23 5.72 8.88 16.39 114.22 123.50 -91.90 132.04 92.47 4.00 3.53 59.13 25.10 8.01 1.12 2.30 0.00 1.69 2.66 19 K C C 149.62 1.84 12.06 15.00 116.05 -143.75 -94.00 136.40 95.12 2.97 1.91 73.62 18.04 3.15 0.69 1.16 0.00 1.24 2.09 20 K C C 129.75 5.42 9.33 16.68 115.30 -114.55 -81.30 136.18 99.24 0.58 0.18 83.24 15.68 0.38 0.07 0.09 0.00 0.24 0.31 21 P C C 70.58 5.93 8.17 16.08 114.07 -108.72 -64.73 148.13 95.68 0.67 3.64 87.56 4.41 3.59 0.75 2.95 0.00 0.28 0.46 22 K C C 173.96 0.84 10.12 11.14 95.36 -125.08 -69.71 -23.85 83.80 0.85 15.35 39.79 25.78 17.01 2.10 14.29 0.00 0.33 0.69 23 T C S 107.47 1.32 9.53 11.53 101.40 57.60 -88.30 -10.33 79.12 1.02 19.86 23.95 30.44 24.22 2.35 17.87 0.00 0.43 0.73 24 Y C C 149.86 4.09 8.53 14.30 104.86 48.77 -94.58 34.15 80.78 1.20 18.02 44.58 18.61 16.15 2.42 16.92 0.00 0.57 0.75 25 K C C 132.59 4.04 9.36 15.19 108.24 119.68 -89.32 99.74 89.05 1.69 9.26 61.84 17.50 8.90 2.49 7.05 0.00 0.69 1.53 26 Y C C 115.08 6.01 8.61 16.30 113.16 -136.45 -100.82 120.57 93.19 1.08 5.73 67.14 23.24 2.60 2.43 3.09 0.00 0.35 1.15 27 P H G 102.95 2.12 12.26 15.47 95.41 -146.84 -64.28 -28.95 37.71 0.44 61.84 11.38 5.28 18.43 3.56 60.97 0.00 0.25 0.13 28 S H G 76.95 2.90 11.85 15.98 94.81 62.55 -75.57 -10.68 37.87 0.37 61.76 7.69 5.04 22.62 3.59 60.74 0.00 0.20 0.12 29 L H G 61.50 11.41 8.28 20.12 95.88 61.45 -91.40 -2.83 43.01 0.67 56.32 17.58 7.17 15.21 2.49 56.97 0.00 0.36 0.22 30 K C T 144.29 2.75 10.73 15.96 111.48 120.91 -64.68 133.08 97.18 0.39 2.42 4.91 4.69 87.78 0.59 1.52 0.00 0.17 0.35 31 G C T 66.22 0.54 14.04 12.73 95.22 18.12 83.48 -0.10 99.01 0.15 0.84 2.91 6.86 89.25 0.11 0.73 0.00 0.09 0.06 32 V C C 55.40 10.38 7.01 18.23 120.42 120.56 -81.07 146.26 96.87 2.86 0.27 62.47 32.98 0.38 0.13 0.09 0.00 0.48 3.46 33 D C C 77.39 3.24 12.82 17.26 112.81 -105.07 -69.03 141.63 99.81 0.17 0.02 99.22 0.61 0.01 0.01 0.00 0.00 0.03 0.12 34 P H H 94.31 2.77 12.20 16.40 91.86 -122.89 -58.18 -36.41 2.27 0.00 97.72 0.14 0.13 1.89 97.24 0.60 0.00 0.00 0.00 35 K H H 131.99 2.03 14.39 16.56 91.62 53.89 -64.87 -39.97 1.14 0.00 98.85 0.05 0.06 1.00 98.14 0.74 0.00 0.00 0.00 36 F H H 90.10 5.13 13.44 19.97 92.22 48.75 -66.09 -40.54 0.26 0.00 99.74 0.03 0.01 0.17 99.25 0.54 0.00 0.00 0.00 37 R H H 108.98 4.86 14.80 20.96 91.86 51.58 -63.57 -42.30 0.14 0.00 99.86 0.01 0.01 0.09 99.75 0.15 0.00 0.00 0.00 38 R H H 127.38 2.53 17.36 19.84 91.56 49.45 -63.89 -41.79 0.38 0.00 99.62 0.02 0.01 0.30 99.55 0.12 0.00 0.00 0.00 39 N H H 71.11 5.26 16.58 22.84 91.87 49.27 -64.67 -40.59 1.16 0.00 98.84 0.08 0.05 0.93 98.78 0.16 0.00 0.00 0.00 40 H H H 83.47 6.54 16.73 24.38 92.10 51.10 -64.49 -41.01 0.60 0.00 99.40 0.09 0.04 0.36 99.21 0.29 0.00 0.00 0.00 41 K H H 103.33 3.37 18.66 22.23 91.82 50.68 -64.24 -41.99 0.59 0.00 99.41 0.07 0.04 0.39 99.02 0.48 0.00 0.00 0.00 42 H H H 81.66 4.48 16.78 22.35 91.87 49.83 -64.60 -41.24 0.90 0.00 99.10 0.12 0.07 0.59 98.49 0.74 0.00 0.00 0.00 43 A H H 41.20 7.48 14.12 23.29 92.08 51.69 -64.71 -39.92 2.07 0.01 97.92 0.26 0.14 1.42 97.19 0.98 0.00 0.00 0.00 44 L H H 102.99 4.05 16.15 21.00 92.53 51.15 -67.70 -35.27 8.96 0.02 91.01 0.45 0.51 7.82 90.15 1.03 0.01 0.01 0.01 45 H H H 129.26 2.20 16.09 18.09 95.02 45.05 -86.89 -9.88 37.32 0.11 62.57 1.34 2.87 32.02 62.68 0.95 0.04 0.03 0.07 46 G C T 40.61 6.92 12.45 20.72 101.50 -116.94 80.54 15.54 91.96 0.79 7.25 22.10 17.84 51.62 6.69 1.03 0.00 0.28 0.43 47 T C C 62.74 3.81 14.60 19.45 124.04 154.18 -97.22 162.49 83.71 2.27 14.01 68.26 12.51 1.53 14.92 0.64 0.00 0.57 1.57 48 A H H 74.92 4.05 13.44 19.08 92.43 -108.49 -60.80 -37.31 3.55 0.02 96.43 0.94 0.67 1.72 96.09 0.56 0.00 0.00 0.01 49 K H H 144.15 1.15 16.54 16.63 91.75 52.73 -63.87 -40.83 1.98 0.01 98.01 0.45 0.23 1.14 97.59 0.58 0.00 0.01 0.00 50 A H H 32.72 5.45 13.34 21.18 91.48 49.58 -63.84 -41.43 1.13 0.01 98.86 0.35 0.12 0.57 98.41 0.54 0.00 0.01 0.00 51 L H H 55.42 6.89 12.89 21.75 91.90 50.35 -64.19 -41.56 0.64 0.01 99.36 0.18 0.06 0.30 99.21 0.24 0.00 0.00 0.00 52 A H H 53.98 2.45 14.46 17.57 91.53 50.48 -63.27 -41.02 0.86 0.00 99.13 0.16 0.06 0.50 99.00 0.28 0.00 0.00 0.00 53 A H H 65.85 1.88 13.57 15.69 91.95 50.57 -64.83 -38.97 2.63 0.00 97.36 0.25 0.15 1.89 97.14 0.56 0.00 0.00 0.00 54 A H H 67.19 4.13 10.46 16.23 92.52 52.81 -68.35 -30.41 12.40 0.02 87.58 0.76 0.64 10.30 87.52 0.77 0.01 0.00 0.01 55 K H H 144.92 2.26 10.29 13.87 95.85 54.44 -79.00 -12.99 45.27 0.12 54.61 10.86 1.18 30.98 55.84 1.01 0.00 0.03 0.09 56 K C C 150.99 2.21 12.28 15.68 102.68 102.91 -73.95 71.88 99.88 0.03 0.10 99.26 0.29 0.33 0.08 0.01 0.00 0.01 0.01