# 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 A C C 68.68 5.58 11.16 18.29 116.68 -148.50 -88.31 145.62 99.85 0.10 0.05 99.75 0.10 0.06 0.03 0.00 0.00 0.04 0.02 1 K C C 143.28 3.03 9.57 14.48 116.04 -138.47 -93.00 139.16 87.18 2.86 9.96 83.03 1.34 3.30 8.15 1.39 0.00 1.33 1.48 2 S C C 68.40 4.13 7.90 13.90 114.38 -121.64 -83.01 145.80 77.55 2.77 19.68 63.58 7.09 6.27 16.76 3.56 0.00 1.32 1.40 3 K C H 162.65 1.37 10.19 12.33 96.85 -131.11 -70.51 -24.73 52.55 1.16 46.29 21.82 13.27 18.74 38.45 6.57 0.05 0.54 0.57 4 N H H 104.67 2.90 9.87 14.25 100.88 56.85 -90.25 4.47 49.01 1.05 49.93 22.33 11.45 17.08 41.63 6.44 0.05 0.46 0.55 5 H H H 107.95 5.09 9.70 16.40 102.64 103.90 -81.02 -10.68 36.81 0.99 62.20 24.63 7.15 6.76 55.88 4.70 0.01 0.44 0.43 6 T H H 82.62 3.45 11.84 16.49 102.24 82.29 -80.76 -25.60 30.54 0.80 68.66 19.51 5.60 6.87 63.74 3.58 0.01 0.38 0.30 7 A H H 64.69 3.64 12.31 17.08 98.19 55.18 -74.77 -27.73 25.31 0.59 74.10 14.70 5.32 6.57 69.80 3.11 0.01 0.28 0.22 8 H H H 104.19 4.56 12.09 18.06 97.58 66.43 -71.79 -35.10 21.87 0.48 77.65 12.26 4.73 6.15 73.76 2.67 0.01 0.22 0.18 9 N H H 88.24 3.79 13.12 17.91 96.94 53.87 -69.98 -35.33 19.34 0.40 80.26 11.35 3.38 5.73 76.66 2.52 0.01 0.19 0.16 10 Q H H 106.97 3.21 13.62 17.62 94.63 55.20 -68.57 -36.01 14.34 0.31 85.35 7.10 2.72 5.26 82.37 2.27 0.02 0.15 0.11 11 T H H 68.66 4.75 12.90 18.95 95.89 51.42 -69.87 -37.75 15.76 0.37 83.87 8.42 2.68 5.24 81.39 1.93 0.01 0.18 0.13 12 R H H 129.59 2.85 14.23 17.68 94.05 54.85 -66.81 -40.04 11.06 0.28 88.66 5.18 2.05 4.38 86.41 1.73 0.03 0.14 0.10 13 K H H 104.94 2.93 14.19 17.83 93.33 52.46 -66.25 -40.62 7.38 0.20 92.42 3.19 1.38 3.39 90.02 1.82 0.03 0.11 0.07 14 A H H 43.86 5.48 11.50 19.01 92.71 52.02 -65.36 -40.41 5.90 0.17 93.92 2.45 0.91 2.93 90.73 2.79 0.03 0.10 0.05 15 H H H 120.14 3.00 12.39 16.44 94.18 49.37 -69.42 -37.50 7.57 0.24 92.19 2.51 1.12 4.40 87.77 3.89 0.07 0.15 0.09 16 R H H 165.79 1.49 12.66 14.24 95.65 50.39 -74.19 -32.10 13.30 0.22 86.48 2.28 1.85 9.50 82.80 3.27 0.09 0.10 0.11 17 N H H 104.48 2.62 11.40 14.94 100.16 33.98 -97.01 -0.61 37.50 0.22 62.29 3.67 5.37 28.38 60.49 1.80 0.07 0.07 0.15 18 G C T 52.30 2.64 11.43 15.39 100.69 -113.02 77.44 11.17 96.29 0.58 3.14 30.50 23.11 43.01 1.20 1.63 0.00 0.27 0.28 19 I C C 97.87 5.33 8.46 15.67 114.81 129.16 -92.27 134.10 93.18 3.55 3.27 59.56 25.47 7.90 1.05 2.10 0.00 1.49 2.43 20 K C C 151.33 1.65 11.88 14.50 116.38 -142.36 -94.20 138.47 95.53 2.54 1.93 72.75 19.12 3.40 0.71 1.15 0.00 1.07 1.79 21 K C C 132.97 4.97 9.30 16.30 115.25 -110.64 -78.45 137.05 99.26 0.54 0.19 82.78 16.13 0.40 0.07 0.09 0.00 0.22 0.29 22 P C C 72.84 6.02 8.03 15.95 113.96 -108.48 -64.83 148.47 95.46 0.65 3.89 86.60 4.76 3.95 0.80 3.17 0.00 0.28 0.45 23 K C C 173.79 0.85 10.23 11.18 96.86 -125.07 -72.83 -19.24 86.50 0.91 12.59 47.61 23.89 13.85 1.95 11.61 0.00 0.36 0.73 24 T C S 105.55 1.59 9.30 11.83 103.96 59.40 -95.70 -5.16 81.64 1.15 17.20 30.35 31.01 19.85 2.28 15.21 0.00 0.49 0.81 25 Y C C 154.12 3.80 8.35 13.83 105.61 53.71 -95.12 56.92 83.84 1.27 14.89 49.29 18.73 14.45 2.22 13.88 0.00 0.62 0.80 26 K C C 138.22 3.36 9.30 14.42 107.17 139.92 -88.16 82.97 89.58 1.80 8.62 61.50 18.58 8.69 2.31 6.60 0.00 0.76 1.56 27 Y C C 119.39 5.65 8.35 15.70 113.23 69.85 -102.42 119.15 93.72 1.15 5.14 66.40 24.64 2.51 2.14 2.75 0.00 0.38 1.18 28 P H G 102.80 2.17 11.91 15.26 95.82 -150.58 -64.87 -27.88 40.16 0.51 59.34 13.39 5.68 18.42 3.07 59.01 0.00 0.29 0.14 29 S H G 78.11 2.81 11.56 15.56 96.74 63.33 -76.11 -10.14 39.59 0.44 59.97 8.88 5.61 22.78 3.22 59.13 0.00 0.24 0.14 30 L H G 66.57 10.56 8.20 19.36 96.23 61.83 -90.75 -2.02 44.92 0.74 54.34 19.14 7.54 15.11 2.45 55.10 0.00 0.40 0.25 31 K C T 145.65 2.62 10.56 15.60 111.59 121.20 -64.66 133.19 97.13 0.43 2.44 5.42 4.87 87.01 0.60 1.54 0.00 0.19 0.37 32 G C T 66.28 0.53 13.78 12.51 95.13 17.77 83.14 -0.08 98.98 0.17 0.85 3.17 6.97 88.85 0.11 0.73 0.00 0.11 0.06 33 V C C 56.47 9.95 6.89 17.81 120.18 120.61 -81.04 146.03 96.61 3.14 0.25 62.81 32.32 0.37 0.13 0.09 0.00 0.55 3.73 34 D C C 78.87 3.02 12.72 16.87 112.84 -104.97 -69.11 142.07 99.78 0.19 0.02 99.17 0.63 0.01 0.01 0.00 0.00 0.04 0.13 35 P H H 94.27 2.80 11.84 16.13 92.02 -121.61 -58.17 -36.41 2.46 0.00 97.54 0.16 0.15 2.03 96.97 0.69 0.00 0.00 0.00 36 K H H 134.85 1.66 14.04 15.70 91.62 54.00 -64.93 -39.88 1.25 0.00 98.75 0.06 0.06 1.07 97.95 0.85 0.00 0.00 0.00 37 F H H 95.44 4.16 13.28 18.79 92.29 48.86 -66.21 -40.54 0.28 0.00 99.72 0.04 0.02 0.18 99.18 0.59 0.00 0.00 0.00 38 R H H 109.65 4.62 14.25 20.23 91.99 51.55 -63.71 -42.20 0.15 0.00 99.85 0.02 0.01 0.09 99.75 0.14 0.00 0.00 0.00 39 R H H 128.16 2.37 16.63 18.96 91.62 49.55 -64.01 -41.75 0.31 0.00 99.69 0.02 0.01 0.22 99.64 0.10 0.00 0.00 0.00 40 N H H 76.70 3.91 16.20 20.89 91.92 49.39 -64.75 -40.74 0.81 0.00 99.19 0.07 0.04 0.60 99.13 0.15 0.00 0.00 0.00 41 H H H 87.56 5.40 16.13 22.70 92.22 50.64 -64.62 -40.77 0.55 0.00 99.45 0.08 0.03 0.35 99.22 0.32 0.00 0.00 0.00 42 K H H 103.68 3.42 17.47 21.30 91.93 50.83 -64.45 -41.88 0.65 0.00 99.35 0.08 0.04 0.44 98.91 0.54 0.00 0.00 0.00 43 H H H 92.10 3.68 16.19 20.66 92.01 49.95 -64.99 -41.04 1.22 0.00 98.78 0.15 0.08 0.81 98.07 0.87 0.00 0.00 0.00 44 A H H 48.64 5.45 13.95 21.01 92.12 51.70 -64.74 -39.50 3.09 0.01 96.90 0.43 0.23 2.09 96.01 1.23 0.00 0.00 0.00 45 L H H 103.81 3.59 15.37 19.77 92.55 50.77 -68.31 -34.80 11.15 0.05 88.80 0.83 0.80 9.21 87.61 1.48 0.02 0.02 0.02 46 H H H 128.80 2.46 14.91 17.53 95.81 47.66 -84.31 -10.59 40.84 0.16 59.00 2.04 3.58 34.04 58.75 1.39 0.05 0.05 0.11 47 G C T 42.18 5.60 12.75 19.66 102.11 -97.52 73.88 8.99 80.70 0.76 18.54 18.28 13.34 47.68 18.36 1.64 0.01 0.27 0.42 48 T C C 64.92 4.00 13.50 18.73 121.50 134.91 -90.99 160.23 62.15 1.33 36.52 48.26 9.23 2.93 37.59 0.92 0.00 0.37 0.72 49 A H H 75.03 3.47 13.32 18.12 93.27 -99.41 -61.62 -37.16 3.97 0.03 96.00 1.38 0.71 1.74 95.53 0.61 0.00 0.01 0.01 50 K H H 141.05 1.30 15.68 16.30 92.13 52.36 -64.34 -40.82 2.03 0.02 97.95 0.63 0.27 1.05 97.42 0.61 0.00 0.01 0.00 51 A H H 38.58 4.55 13.03 19.69 92.06 49.99 -64.18 -41.39 1.26 0.02 98.72 0.44 0.15 0.61 98.22 0.57 0.00 0.01 0.00 52 L H H 65.56 5.03 12.81 19.72 91.85 50.23 -64.32 -41.21 0.95 0.01 99.04 0.30 0.10 0.46 98.77 0.36 0.00 0.00 0.00 53 A H H 55.42 2.30 13.48 16.50 91.62 50.63 -63.85 -40.67 1.48 0.01 98.51 0.33 0.13 0.85 98.23 0.45 0.00 0.00 0.00 54 A H H 67.29 1.81 12.54 14.75 92.08 51.12 -65.45 -37.93 4.30 0.01 95.69 0.54 0.31 3.05 95.23 0.86 0.01 0.00 0.00 55 A H H 73.64 2.85 10.05 14.34 92.63 53.48 -68.91 -29.50 18.31 0.04 81.65 1.33 1.10 15.20 81.13 1.18 0.01 0.01 0.02 56 K C H 150.98 1.68 9.72 12.49 96.07 54.95 -79.50 -11.68 51.02 0.15 48.83 12.50 1.27 34.74 50.00 1.34 0.00 0.05 0.10 57 K C C 150.41 2.21 11.24 14.76 103.69 99.01 -75.40 88.68 99.86 0.04 0.10 99.50 0.18 0.20 0.08 0.01 0.00 0.02 0.01