# 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 73.96 5.44 14.41 20.90 112.18 -153.25 -88.38 131.17 99.80 0.04 0.16 99.70 0.09 0.08 0.11 0.00 0.00 0.01 0.01 1 R H H 142.77 4.10 12.53 17.95 96.27 -120.67 -67.12 -36.44 32.39 0.20 67.41 26.67 1.13 4.31 66.74 1.00 0.00 0.06 0.09 2 K H H 118.71 5.22 12.90 19.46 93.37 56.88 -64.98 -40.46 8.40 0.04 91.56 3.62 1.26 3.26 90.78 1.04 0.00 0.02 0.02 3 E H H 111.20 3.89 14.81 19.60 92.52 51.32 -65.76 -39.61 3.62 0.02 96.36 1.38 0.47 1.64 95.34 1.15 0.00 0.01 0.01 4 S H H 56.01 3.27 16.41 20.20 92.51 50.63 -65.12 -40.29 2.82 0.02 97.17 0.96 0.32 1.39 96.33 0.99 0.00 0.01 0.01 5 Y H H 87.75 7.63 16.85 25.58 92.22 50.22 -65.26 -41.09 1.80 0.01 98.19 0.50 0.18 0.94 97.88 0.50 0.00 0.00 0.00 6 A H H 27.43 10.97 15.76 28.14 91.76 51.94 -63.63 -41.60 1.27 0.00 98.72 0.28 0.09 0.70 98.72 0.20 0.00 0.00 0.00 7 I H H 80.35 4.63 19.68 24.61 91.67 50.17 -64.19 -42.21 0.62 0.00 99.38 0.07 0.03 0.40 99.42 0.07 0.00 0.00 0.00 8 Y H H 109.78 4.33 20.63 24.95 91.78 50.01 -64.22 -42.71 0.24 0.00 99.76 0.03 0.01 0.14 99.80 0.03 0.00 0.00 0.00 9 V H H 35.07 12.72 17.95 31.42 91.91 49.27 -64.26 -42.81 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 10 Y H H 70.23 12.42 17.80 30.63 91.93 50.43 -64.13 -41.48 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 11 K H H 109.61 2.95 21.48 23.79 91.82 50.27 -64.60 -41.55 0.16 0.00 99.84 0.01 0.00 0.11 99.85 0.02 0.00 0.00 0.00 12 V H H 52.23 6.17 19.00 26.30 91.76 49.04 -64.40 -42.22 0.31 0.00 99.69 0.02 0.01 0.23 99.70 0.04 0.00 0.00 0.00 13 L H H 22.68 14.92 13.98 29.92 91.76 50.45 -64.24 -40.38 0.45 0.00 99.55 0.04 0.02 0.32 99.47 0.15 0.00 0.00 0.00 14 K H H 101.62 7.40 15.31 23.85 91.93 52.83 -64.80 -36.94 1.76 0.00 98.24 0.09 0.07 1.53 97.82 0.48 0.00 0.00 0.00 15 Q H H 130.56 1.32 17.26 17.55 93.07 49.74 -69.29 -37.06 4.57 0.00 95.42 0.13 0.19 4.22 95.02 0.43 0.00 0.00 0.00 16 V H H 80.35 5.37 14.57 21.03 98.27 38.35 -85.61 -33.50 8.26 0.02 91.72 0.32 1.00 6.75 91.66 0.22 0.02 0.00 0.01 17 H C C 65.54 9.50 9.98 20.95 111.80 24.62 -132.52 69.83 99.07 0.22 0.71 59.79 38.18 0.99 0.64 0.11 0.00 0.05 0.24 18 P C T 92.54 4.47 10.99 17.88 94.69 170.80 -63.02 -26.96 85.52 0.23 14.25 13.87 6.37 64.76 2.68 12.05 0.00 0.11 0.15 19 D C T 131.10 0.57 14.23 13.09 95.19 54.76 -82.48 -0.08 82.27 0.19 17.53 6.01 8.99 66.69 4.10 13.95 0.00 0.10 0.16 20 T C S 60.62 8.62 10.80 20.62 99.40 84.44 -91.23 -4.08 82.42 0.60 16.98 26.52 33.86 22.57 5.57 10.66 0.00 0.21 0.62 21 G C C 42.00 3.83 16.72 21.34 103.74 -121.87 80.05 20.10 87.19 1.00 11.82 45.50 26.56 15.30 8.68 2.87 0.00 0.34 0.74 22 I C C 57.29 13.28 12.14 25.65 100.45 118.35 -82.74 -1.16 62.27 1.32 36.41 45.29 9.68 6.48 34.95 2.36 0.00 0.44 0.80 23 S H H 55.34 6.58 15.72 23.39 96.59 89.42 -68.07 -44.47 29.18 0.35 70.47 19.83 4.53 5.20 68.45 1.69 0.00 0.13 0.17 24 S H H 79.58 1.92 17.58 19.06 93.53 40.63 -67.05 -38.61 5.59 0.04 94.37 1.86 1.02 2.68 93.07 1.32 0.01 0.02 0.02 25 K H H 125.67 2.41 18.26 20.54 92.48 48.83 -67.02 -40.57 2.77 0.02 97.20 0.82 0.38 1.48 96.35 0.95 0.00 0.01 0.01 26 A H H 19.70 12.98 13.77 28.02 92.20 50.43 -64.91 -42.25 1.57 0.01 98.41 0.47 0.16 0.80 98.00 0.55 0.00 0.00 0.00 27 M H H 72.78 8.96 16.59 26.59 92.02 51.56 -63.59 -41.06 0.66 0.00 99.34 0.20 0.06 0.31 99.22 0.21 0.00 0.00 0.00 28 S H H 64.25 2.08 19.95 20.92 92.00 50.73 -64.66 -41.26 0.62 0.00 99.38 0.13 0.04 0.35 99.31 0.17 0.00 0.00 0.00 29 I H H 81.15 4.70 19.09 24.27 92.10 48.77 -65.22 -42.07 0.51 0.00 99.49 0.08 0.03 0.31 99.44 0.13 0.00 0.00 0.00 30 M H H 50.30 12.85 15.89 29.37 91.95 50.10 -64.49 -41.66 0.50 0.00 99.50 0.09 0.03 0.28 99.48 0.11 0.00 0.00 0.00 31 N H H 77.90 5.78 18.39 25.04 91.89 51.07 -63.85 -40.22 0.84 0.00 99.16 0.13 0.05 0.53 99.14 0.16 0.00 0.00 0.00 32 S H H 61.84 2.17 19.80 20.92 91.93 50.54 -65.01 -41.10 1.27 0.00 98.73 0.13 0.07 0.89 98.69 0.21 0.00 0.00 0.00 33 F H H 86.78 6.80 18.30 25.98 92.13 49.32 -65.29 -41.84 1.24 0.00 98.76 0.17 0.08 0.82 98.69 0.22 0.00 0.00 0.00 34 V H H 41.77 11.74 16.12 28.81 91.92 50.06 -64.26 -42.00 0.77 0.00 99.23 0.15 0.06 0.43 99.23 0.12 0.00 0.00 0.00 35 N H H 83.25 3.54 19.21 22.97 91.81 50.75 -64.02 -40.78 0.82 0.00 99.18 0.15 0.05 0.48 99.20 0.11 0.00 0.00 0.00 36 D H H 78.29 2.50 19.89 21.64 92.06 49.97 -65.05 -41.00 0.91 0.00 99.09 0.14 0.06 0.58 99.10 0.12 0.00 0.00 0.00 37 V H H 43.80 9.90 17.26 28.35 91.93 49.94 -64.52 -42.53 0.51 0.00 99.49 0.07 0.03 0.32 99.50 0.09 0.00 0.00 0.00 38 F H H 75.81 10.93 16.92 28.48 91.78 50.47 -63.73 -41.45 0.27 0.00 99.73 0.04 0.02 0.16 99.72 0.07 0.00 0.00 0.00 39 E H H 117.59 2.27 20.35 22.05 91.80 50.31 -64.66 -40.98 0.29 0.00 99.71 0.03 0.01 0.18 99.69 0.09 0.00 0.00 0.00 40 R H H 127.11 3.42 20.14 23.46 91.95 49.09 -65.36 -41.39 0.58 0.00 99.42 0.05 0.03 0.41 99.38 0.13 0.00 0.00 0.00 41 I H H 38.03 13.72 16.75 31.08 92.25 48.21 -65.27 -41.78 1.08 0.00 98.92 0.14 0.08 0.71 98.91 0.16 0.00 0.00 0.00 42 A H H 43.70 7.89 18.28 27.28 91.69 51.06 -63.14 -41.31 1.93 0.01 98.07 0.32 0.15 1.19 98.05 0.29 0.00 0.00 0.00 43 G H H 37.48 2.34 21.41 22.63 91.90 50.43 -64.08 -42.67 4.24 0.01 95.75 0.64 0.33 2.88 95.62 0.52 0.00 0.01 0.01 44 E H H 81.45 6.57 20.40 27.54 92.10 49.02 -65.69 -40.81 3.26 0.01 96.73 0.67 0.34 1.96 96.35 0.67 0.00 0.01 0.00 45 A H H 21.72 14.45 15.49 30.73 91.88 51.91 -63.69 -40.83 2.60 0.01 97.39 0.67 0.26 1.41 96.56 1.10 0.00 0.01 0.00 46 S H H 58.13 4.21 20.00 24.55 91.84 51.71 -64.35 -39.97 3.78 0.02 96.19 0.78 0.34 2.41 94.35 2.09 0.00 0.01 0.01 47 R H H 135.27 2.20 20.63 21.88 92.27 50.09 -65.73 -40.09 5.41 0.05 94.54 0.89 0.53 3.85 91.92 2.75 0.01 0.03 0.02 48 L H H 46.83 9.48 15.53 26.61 92.67 49.65 -66.59 -38.93 7.08 0.11 92.81 1.53 0.87 4.59 88.93 3.95 0.02 0.07 0.03 49 A H H 36.82 9.47 13.15 24.14 92.85 54.97 -65.67 -35.53 17.16 0.29 82.55 3.44 1.79 11.75 77.16 5.54 0.05 0.17 0.11 50 H H H 132.35 2.02 15.35 17.43 95.00 52.86 -72.51 -25.31 31.04 0.48 68.48 5.37 3.26 22.32 63.00 5.50 0.08 0.26 0.23 51 Y H H 148.87 2.88 12.97 16.77 98.84 52.33 -79.82 -26.93 43.09 1.04 55.87 10.57 9.19 24.89 49.54 4.63 0.16 0.46 0.57 52 N C T 87.12 5.78 10.44 17.70 106.13 43.97 -99.38 59.12 66.14 1.01 32.84 21.36 12.99 31.86 28.89 3.88 0.03 0.41 0.59 53 K C T 162.13 1.87 11.83 14.93 97.93 -136.46 -24.03 9.79 78.34 0.71 20.95 20.91 18.64 39.35 14.27 6.03 0.01 0.28 0.51 54 R C C 154.36 3.25 11.45 16.19 107.70 91.92 -93.64 93.02 81.54 1.11 17.35 31.00 21.20 30.08 8.77 7.72 0.01 0.48 0.74 55 S C C 72.77 5.31 11.58 18.45 107.56 -154.14 -89.05 72.77 86.63 2.45 10.92 42.23 26.36 18.73 3.63 6.71 0.00 1.32 1.01 56 T C C 91.22 4.24 15.17 20.70 116.68 103.78 -103.00 129.41 84.24 9.36 6.40 57.10 17.45 9.91 2.66 3.80 0.01 6.54 2.52 57 I C C 38.78 17.12 9.82 26.45 119.02 -148.07 -103.87 131.88 87.48 11.45 1.07 75.49 11.25 0.62 0.89 0.34 0.00 6.73 4.69 58 T C C 65.89 3.37 20.66 23.55 123.23 -137.79 -86.84 162.96 94.40 4.84 0.76 93.66 1.16 0.23 0.61 0.11 0.00 3.06 1.18 59 S H H 58.67 11.09 13.14 24.84 91.74 -105.18 -58.99 -38.93 2.41 0.01 97.58 0.56 0.39 1.23 97.38 0.43 0.00 0.00 0.00 60 R H H 156.73 1.89 18.62 20.31 91.69 53.80 -63.74 -39.84 0.86 0.00 99.14 0.12 0.07 0.55 98.92 0.34 0.00 0.00 0.00 61 E H H 79.39 8.21 18.54 27.50 91.82 49.39 -65.96 -40.61 0.32 0.00 99.67 0.06 0.02 0.18 99.38 0.35 0.00 0.00 0.00 62 I H H 15.25 20.43 15.37 35.77 91.89 50.11 -63.95 -43.13 0.15 0.00 99.85 0.03 0.01 0.08 99.80 0.09 0.00 0.00 0.00 63 Q H H 70.12 11.01 20.43 31.56 91.26 50.75 -62.77 -41.63 0.20 0.00 99.80 0.02 0.01 0.12 99.78 0.06 0.00 0.00 0.00 64 T H H 62.88 3.80 23.42 26.88 91.74 49.58 -64.56 -41.83 0.39 0.00 99.61 0.03 0.02 0.28 99.56 0.10 0.00 0.00 0.00 65 A H H 16.71 14.12 19.57 34.54 91.78 50.89 -63.98 -41.99 0.57 0.00 99.43 0.05 0.02 0.42 99.20 0.31 0.00 0.00 0.00 66 V H H 15.04 20.36 17.96 37.99 91.78 50.06 -64.18 -41.37 0.85 0.00 99.15 0.07 0.05 0.66 98.16 1.07 0.00 0.00 0.00 67 R H H 116.66 8.76 20.62 29.74 91.30 53.57 -64.27 -35.29 2.74 0.01 97.25 0.16 0.13 2.36 95.02 2.32 0.00 0.00 0.00 68 L H H 89.36 6.22 20.91 27.44 92.18 53.23 -69.95 -30.70 11.61 0.01 88.38 0.32 0.43 11.04 86.32 1.86 0.01 0.00 0.01 69 L H H 48.43 14.92 17.39 32.03 96.27 46.01 -86.67 -23.97 24.19 0.08 75.73 1.21 2.56 20.37 74.49 1.23 0.05 0.02 0.05 70 L C S 35.95 17.22 12.61 29.54 113.19 63.44 -107.77 111.25 97.33 0.36 2.31 23.96 71.00 2.13 2.27 0.25 0.00 0.09 0.30 71 P C C 81.57 4.95 16.11 22.23 111.94 -136.05 -67.61 142.43 83.05 0.46 16.49 47.98 11.70 23.08 11.99 4.70 0.00 0.20 0.35 72 G C H 44.76 3.41 16.63 20.58 115.66 18.28 77.45 -151.62 52.22 0.58 47.19 13.26 15.26 24.66 36.20 9.89 0.07 0.23 0.42 73 E H H 125.91 3.32 16.85 20.70 94.61 -11.23 -67.17 -35.49 23.18 0.44 76.38 7.87 4.72 10.82 62.28 13.83 0.06 0.24 0.19 74 L H H 57.63 10.84 14.51 26.35 92.36 54.99 -65.23 -38.44 14.69 0.54 84.77 6.19 2.46 6.23 70.20 14.39 0.03 0.37 0.14 75 A H H 25.90 13.81 13.57 28.08 92.40 53.82 -65.08 -37.53 11.51 0.51 87.99 5.69 1.81 4.24 73.33 14.43 0.01 0.38 0.11 76 K H H 127.39 3.47 19.51 23.53 92.61 52.99 -66.57 -35.53 15.41 0.73 83.86 5.69 2.56 7.42 70.61 12.95 0.05 0.53 0.19 77 H H H 94.15 5.93 18.35 24.96 95.35 50.63 -74.78 -29.37 21.84 1.39 76.78 8.39 3.83 10.48 64.88 10.95 0.10 0.99 0.39 78 A H H 28.74 14.40 14.27 28.94 96.03 67.60 -67.13 -38.36 28.22 3.64 68.14 16.63 5.50 8.32 59.38 6.71 0.08 2.48 0.90 79 V H H 69.21 9.76 16.62 26.73 95.87 51.22 -72.10 -35.37 33.01 5.99 61.00 19.82 5.99 9.37 53.09 5.95 0.12 4.29 1.38 80 S H H 65.52 4.20 17.28 21.99 98.15 57.68 -73.87 -34.01 42.78 4.16 53.05 22.03 8.50 13.97 45.64 5.88 0.12 2.65 1.22 81 E C T 113.44 5.45 16.35 22.60 97.78 46.14 -76.11 -21.77 61.05 0.97 37.97 10.98 10.93 38.20 33.07 5.79 0.07 0.47 0.50 82 G C T 31.98 10.37 14.94 25.64 99.76 41.23 -44.87 -34.58 70.47 0.74 28.79 17.20 13.11 39.91 23.83 5.21 0.02 0.34 0.38 83 T C C 62.99 9.87 15.06 25.51 97.59 59.17 -73.91 -28.44 55.40 2.71 41.89 37.70 9.42 8.34 37.08 5.07 0.01 1.53 0.84 84 K H H 119.11 4.59 18.35 23.64 96.01 65.39 -69.13 -31.91 41.52 5.45 53.03 29.09 6.90 6.97 46.31 5.66 0.03 3.90 1.13 85 A H H 43.39 9.20 15.63 25.91 94.71 60.99 -68.05 -34.74 30.00 6.79 63.21 21.87 4.68 5.41 54.55 6.76 0.04 5.74 0.96 86 V H H 55.31 11.93 14.17 26.48 95.07 55.74 -71.54 -35.23 22.76 7.36 69.88 16.58 3.67 4.53 60.06 7.51 0.04 6.77 0.84 87 T H H 75.16 5.38 15.94 22.33 95.31 60.08 -71.95 -34.00 24.02 6.28 69.70 16.54 3.80 5.42 60.02 7.66 0.04 5.73 0.79 88 C H H 78.33 4.19 14.95 20.08 95.82 55.43 -73.83 -27.34 30.40 5.00 64.60 18.34 5.23 8.62 55.82 6.96 0.07 4.09 0.87 89 Y H H 115.38 8.32 11.23 20.49 99.94 55.77 -83.89 -15.23 38.46 3.90 57.65 21.82 7.31 11.35 50.89 4.98 0.07 2.58 0.98 90 T C H 85.75 5.33 10.77 17.61 104.36 61.43 -89.13 6.23 51.04 3.51 45.45 28.68 9.02 14.03 42.01 3.15 0.05 1.99 1.07 91 S C C 83.40 2.59 9.98 14.09 106.03 78.33 -85.84 60.67 74.49 1.64 23.88 53.85 2.74 16.15 23.92 1.77 0.00 0.86 0.70 92 A C C 82.79 3.24 11.50 16.32 106.13 68.95 -84.35 51.24 99.91 0.04 0.05 99.77 0.09 0.09 0.03 0.00 0.00 0.02 0.00