# 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 129.65 3.65 13.53 18.29 110.89 -132.47 -79.99 131.06 99.79 0.03 0.19 99.66 0.09 0.09 0.14 0.01 0.00 0.01 0.01 1 R C C 141.74 3.73 10.81 15.96 101.43 -108.94 -73.41 -18.17 57.71 0.45 41.84 52.58 1.01 4.36 40.22 1.45 0.00 0.17 0.21 2 R H H 139.54 3.58 11.10 16.06 96.33 59.55 -67.22 -38.52 30.43 0.33 69.23 21.37 4.04 5.66 65.85 2.80 0.00 0.14 0.14 3 K H H 122.81 2.94 12.64 16.63 93.51 53.29 -66.06 -38.87 18.87 0.27 80.86 12.19 2.91 4.65 76.51 3.52 0.00 0.13 0.10 4 T H H 74.90 2.97 13.69 17.49 93.43 51.99 -66.92 -39.42 14.52 0.22 85.26 9.16 2.24 3.83 81.63 2.95 0.00 0.10 0.08 5 R H H 121.07 4.47 14.61 20.19 92.82 51.55 -66.10 -39.56 10.96 0.14 88.90 6.30 1.77 3.27 86.79 1.76 0.00 0.06 0.05 6 K H H 97.29 7.12 15.44 23.60 92.85 51.54 -65.41 -40.81 7.19 0.08 92.73 3.72 1.10 2.44 91.55 1.12 0.00 0.03 0.03 7 E H H 99.68 4.60 17.58 22.79 92.44 50.60 -65.50 -40.29 5.61 0.04 94.34 2.45 0.73 2.26 93.63 0.90 0.00 0.02 0.02 8 S H H 53.49 4.06 18.73 23.12 92.53 50.94 -65.50 -40.64 5.78 0.03 94.18 2.14 0.63 2.70 93.64 0.85 0.00 0.01 0.02 9 Y H H 80.20 9.43 18.45 28.61 92.39 50.01 -65.72 -41.05 2.89 0.01 97.10 0.87 0.30 1.46 96.86 0.50 0.00 0.00 0.00 10 A H H 26.51 11.88 16.95 29.93 91.81 51.99 -63.63 -41.45 1.56 0.00 98.43 0.39 0.12 0.85 98.37 0.26 0.00 0.00 0.00 11 I H H 78.36 4.89 20.77 25.88 91.79 50.26 -64.11 -42.16 0.72 0.00 99.28 0.09 0.04 0.50 99.24 0.12 0.00 0.00 0.00 12 Y H H 103.28 5.19 21.28 26.57 91.78 50.08 -64.25 -42.68 0.25 0.00 99.74 0.04 0.01 0.15 99.75 0.05 0.00 0.00 0.00 13 V H H 29.34 14.27 18.30 33.07 91.86 49.60 -64.11 -42.90 0.13 0.00 99.87 0.01 0.00 0.08 99.86 0.03 0.00 0.00 0.00 14 Y H H 69.99 12.54 18.48 31.34 91.98 50.36 -64.13 -41.74 0.09 0.00 99.91 0.00 0.00 0.06 99.90 0.02 0.00 0.00 0.00 15 K H H 108.30 3.09 22.22 24.59 91.86 50.29 -64.62 -41.60 0.17 0.00 99.83 0.01 0.00 0.13 99.82 0.03 0.00 0.00 0.00 16 V H H 48.22 6.95 19.30 27.42 91.79 49.05 -64.39 -42.36 0.30 0.00 99.70 0.02 0.01 0.23 99.69 0.05 0.00 0.00 0.00 17 L H H 20.87 15.60 14.12 30.63 91.87 50.42 -64.13 -40.39 0.42 0.00 99.58 0.03 0.02 0.31 99.50 0.13 0.00 0.00 0.00 18 K H H 104.32 7.20 15.86 24.14 91.85 52.96 -64.76 -37.18 1.81 0.00 98.19 0.09 0.07 1.57 97.81 0.45 0.00 0.00 0.00 19 Q H H 128.49 1.48 17.62 18.19 93.22 49.90 -69.31 -36.56 4.77 0.00 95.23 0.14 0.21 4.35 94.88 0.42 0.00 0.00 0.00 20 V H H 76.66 6.19 14.77 22.01 98.51 37.92 -85.46 -33.73 8.78 0.02 91.20 0.38 1.14 7.03 91.17 0.23 0.02 0.00 0.02 21 H C C 65.00 9.76 10.31 21.48 111.58 23.86 -132.66 69.41 99.02 0.22 0.76 60.61 37.24 1.07 0.67 0.12 0.00 0.05 0.24 22 P C T 90.80 4.72 11.22 18.32 94.70 167.63 -63.09 -26.73 87.41 0.23 12.36 16.73 6.98 63.50 2.52 10.00 0.00 0.12 0.15 23 D C T 129.25 0.66 14.42 13.61 95.43 54.30 -84.71 2.25 84.03 0.22 15.76 7.95 9.99 65.64 4.05 12.08 0.00 0.11 0.17 24 T C S 59.57 8.98 10.82 20.97 99.99 86.47 -90.94 -0.71 84.06 0.56 15.38 30.62 33.53 20.40 5.57 9.12 0.00 0.19 0.58 25 G C C 44.25 3.71 16.60 21.10 100.31 -122.30 78.05 0.95 84.69 0.88 14.43 38.23 30.67 15.87 11.48 2.82 0.00 0.28 0.65 26 I C H 61.14 11.48 13.27 25.48 99.48 108.43 -83.92 -14.43 54.56 0.98 44.45 38.48 9.32 6.29 42.99 2.02 0.00 0.31 0.58 27 S H H 48.86 9.32 14.81 25.11 94.07 83.23 -65.14 -42.90 17.88 0.19 81.93 11.70 2.65 3.93 80.09 1.45 0.00 0.08 0.09 28 S H H 76.84 2.05 18.42 19.99 92.94 47.42 -66.58 -39.61 3.95 0.03 96.02 1.40 0.62 1.83 95.09 1.04 0.00 0.01 0.01 29 K H H 121.65 2.64 19.15 21.60 92.19 49.34 -66.75 -40.58 2.02 0.02 97.97 0.64 0.25 1.01 97.35 0.73 0.00 0.01 0.00 30 A H H 17.93 13.98 14.40 29.45 92.24 50.54 -64.81 -42.13 1.20 0.01 98.79 0.36 0.12 0.59 98.54 0.39 0.00 0.00 0.00 31 M H H 69.51 9.86 17.16 27.86 91.85 51.67 -63.58 -41.03 0.54 0.00 99.46 0.15 0.05 0.25 99.40 0.15 0.00 0.00 0.00 32 S H H 63.55 2.23 20.64 21.75 91.80 50.82 -64.72 -41.28 0.53 0.00 99.47 0.10 0.03 0.30 99.44 0.13 0.00 0.00 0.00 33 I H H 78.60 5.31 19.66 25.51 92.05 48.84 -65.14 -42.07 0.45 0.00 99.55 0.07 0.03 0.27 99.53 0.10 0.00 0.00 0.00 34 M H H 45.29 14.19 16.35 30.86 92.02 50.11 -64.34 -41.84 0.46 0.00 99.54 0.08 0.03 0.26 99.54 0.09 0.00 0.00 0.00 35 N H H 75.20 6.60 18.93 26.28 91.63 51.08 -63.76 -40.41 0.78 0.00 99.22 0.12 0.04 0.48 99.22 0.14 0.00 0.00 0.00 36 S H H 61.39 2.30 20.73 21.90 91.88 50.59 -64.73 -41.24 1.19 0.00 98.81 0.13 0.06 0.84 98.78 0.19 0.00 0.00 0.00 37 F H H 77.67 8.29 18.80 27.94 92.10 49.39 -64.98 -41.90 1.18 0.00 98.81 0.16 0.08 0.79 98.76 0.21 0.00 0.00 0.00 38 V H H 36.55 13.38 16.68 30.66 92.06 50.08 -64.19 -42.34 0.77 0.00 99.22 0.16 0.06 0.44 99.23 0.12 0.00 0.00 0.00 39 N H H 81.79 3.93 19.98 24.13 91.62 50.69 -64.06 -40.80 0.84 0.00 99.16 0.16 0.05 0.50 99.18 0.11 0.00 0.00 0.00 40 D H H 76.43 2.82 20.67 22.84 92.00 50.12 -65.12 -41.05 0.94 0.00 99.05 0.15 0.06 0.60 99.07 0.12 0.00 0.00 0.00 41 V H H 37.75 11.48 17.74 30.16 92.04 50.01 -64.53 -42.83 0.52 0.00 99.48 0.07 0.03 0.32 99.49 0.09 0.00 0.00 0.00 42 F H H 71.35 11.83 17.46 29.70 91.85 50.45 -63.72 -41.50 0.28 0.00 99.72 0.04 0.01 0.16 99.71 0.08 0.00 0.00 0.00 43 E H H 116.42 2.42 20.87 22.78 91.70 50.33 -64.61 -40.99 0.33 0.00 99.67 0.04 0.02 0.21 99.65 0.10 0.00 0.00 0.00 44 R H H 122.60 4.02 20.51 24.63 91.93 49.15 -65.43 -41.38 0.67 0.00 99.33 0.06 0.03 0.47 99.28 0.15 0.00 0.00 0.00 45 I H H 35.29 14.71 17.07 32.15 92.30 47.96 -65.60 -41.94 1.34 0.01 98.65 0.18 0.10 0.88 98.64 0.19 0.00 0.00 0.00 46 A H H 43.50 8.09 18.67 27.77 91.69 51.12 -63.27 -41.26 2.63 0.01 97.36 0.43 0.21 1.65 97.37 0.33 0.00 0.00 0.00 47 G H H 37.05 2.53 21.54 23.11 91.97 50.45 -64.36 -42.53 5.95 0.02 94.03 0.93 0.51 4.05 93.88 0.62 0.01 0.01 0.01 48 E H H 76.24 7.62 20.27 28.56 92.14 48.95 -65.65 -40.70 4.03 0.02 95.95 0.92 0.45 2.36 95.43 0.82 0.00 0.01 0.01 49 A H H 22.27 14.82 15.76 31.16 91.95 52.10 -63.71 -40.60 2.91 0.02 97.07 0.81 0.30 1.55 95.99 1.33 0.00 0.01 0.00 50 S H H 58.89 4.03 20.32 24.51 91.75 51.72 -64.46 -39.81 3.94 0.03 96.04 0.86 0.37 2.48 93.93 2.34 0.00 0.02 0.01 51 R H H 132.36 2.61 20.54 22.57 92.39 50.26 -65.99 -39.77 5.55 0.05 94.40 0.97 0.56 3.87 91.56 2.97 0.02 0.03 0.02 52 L H H 44.76 10.70 15.46 27.52 92.87 50.24 -66.80 -38.50 7.40 0.12 92.48 1.63 0.90 4.77 88.34 4.24 0.02 0.07 0.03 53 A H H 41.73 9.06 13.97 24.40 92.84 56.38 -66.29 -33.03 18.63 0.27 81.10 3.40 1.85 13.20 75.45 5.79 0.05 0.16 0.11 54 H H H 130.86 2.24 15.71 18.08 95.74 53.72 -75.51 -20.62 33.96 0.47 65.57 5.68 3.52 24.70 59.69 5.85 0.08 0.25 0.23 55 Y H H 137.73 4.19 12.45 17.97 100.53 60.32 -82.85 -16.29 46.15 1.15 52.70 13.40 10.28 24.23 45.87 4.94 0.13 0.50 0.63 56 N C T 88.53 6.00 10.83 18.26 105.30 47.21 -94.76 51.64 65.17 1.03 33.79 24.38 11.78 29.26 29.15 4.38 0.03 0.44 0.58 57 K C T 156.48 2.34 11.97 15.75 98.57 -139.36 -61.12 5.72 73.81 0.79 25.40 21.19 17.62 35.60 18.11 6.60 0.02 0.31 0.55 58 R C C 154.30 3.43 11.84 16.70 107.81 82.10 -91.47 76.00 77.80 1.12 21.07 30.09 19.24 29.19 12.20 8.03 0.01 0.47 0.76 59 S C C 69.66 6.12 11.71 19.27 108.86 -156.17 -89.65 80.14 84.62 2.25 13.13 40.74 24.29 20.27 5.45 7.07 0.01 1.14 1.03 60 T C C 90.22 4.56 15.27 21.10 114.87 80.78 -101.63 124.36 83.45 8.62 7.93 53.48 18.58 11.80 3.62 4.27 0.01 5.84 2.40 61 I C C 38.83 17.21 10.13 26.86 119.14 89.84 -101.86 131.30 87.89 10.54 1.57 72.51 14.43 0.88 1.31 0.47 0.00 5.92 4.48 62 T C C 64.93 3.60 20.88 24.07 123.17 -139.37 -87.76 162.94 94.03 4.87 1.10 92.86 1.41 0.31 0.92 0.15 0.00 3.07 1.27 63 S H H 56.35 11.76 13.22 25.45 91.64 -105.18 -59.06 -38.79 2.64 0.01 97.35 0.69 0.45 1.28 97.15 0.43 0.00 0.00 0.00 64 R H H 155.14 2.09 18.76 20.82 91.68 53.43 -63.93 -39.93 0.93 0.00 99.07 0.14 0.09 0.58 98.87 0.33 0.00 0.00 0.00 65 E H H 78.84 8.45 18.79 27.89 91.85 49.35 -65.91 -40.77 0.37 0.00 99.63 0.07 0.03 0.20 99.36 0.33 0.00 0.00 0.00 66 I H H 14.35 20.89 15.73 36.58 91.92 50.17 -63.95 -43.11 0.16 0.00 99.84 0.03 0.01 0.08 99.79 0.09 0.00 0.00 0.00 67 Q H H 66.71 11.84 20.62 32.41 91.30 50.82 -62.73 -41.72 0.20 0.00 99.80 0.02 0.01 0.12 99.78 0.06 0.00 0.00 0.00 68 T H H 61.93 4.07 23.89 27.66 91.74 49.81 -64.59 -41.95 0.41 0.00 99.59 0.04 0.02 0.30 99.54 0.11 0.00 0.00 0.00 69 A H H 15.61 14.78 20.02 35.46 91.79 50.81 -64.11 -42.08 0.63 0.00 99.37 0.05 0.03 0.47 99.13 0.32 0.00 0.00 0.00 70 V H H 11.68 21.57 18.07 39.33 91.83 50.17 -64.22 -41.39 0.91 0.00 99.08 0.07 0.05 0.72 97.87 1.28 0.00 0.00 0.00 71 R H H 114.20 9.41 20.78 30.36 91.22 53.45 -64.50 -34.69 2.89 0.01 97.11 0.15 0.14 2.49 94.42 2.78 0.00 0.00 0.00 72 L H H 89.89 6.42 21.39 27.92 92.10 53.66 -70.43 -30.19 11.56 0.01 88.43 0.29 0.42 11.14 86.05 2.08 0.01 0.00 0.01 73 L H H 46.75 15.16 17.59 32.44 96.63 42.05 -88.23 -24.42 22.86 0.06 77.08 0.99 2.38 19.50 75.85 1.17 0.05 0.02 0.04 74 L C S 32.09 18.04 12.50 30.19 115.41 55.88 -110.91 114.23 98.32 0.28 1.40 18.45 78.21 1.54 1.37 0.13 0.00 0.07 0.24 75 P C C 81.09 4.82 16.57 22.42 113.49 -131.27 -68.19 145.20 89.73 0.34 9.93 64.37 11.00 13.96 7.89 2.38 0.00 0.13 0.28 76 G H H 45.12 2.90 17.03 20.32 119.25 20.15 77.48 -153.02 42.00 0.46 57.54 11.43 15.09 17.03 49.40 6.50 0.07 0.16 0.32 77 E H H 128.79 3.05 17.26 20.79 94.08 -17.66 -66.62 -35.22 14.04 0.21 85.75 4.17 2.67 7.49 76.68 8.74 0.05 0.11 0.09 78 L H H 49.29 12.16 14.82 27.82 92.06 54.98 -64.80 -39.30 7.11 0.21 92.68 2.90 1.06 3.27 83.92 8.64 0.01 0.15 0.05 79 A H H 22.30 14.56 14.13 29.38 91.99 53.91 -64.18 -39.68 4.82 0.15 95.03 2.01 0.66 2.13 86.64 8.42 0.01 0.11 0.03 80 K H H 127.39 3.17 20.83 24.19 92.38 51.84 -66.02 -36.76 8.15 0.25 91.61 2.23 1.10 4.79 83.29 8.32 0.03 0.18 0.06 81 H H H 86.88 6.47 19.20 26.37 94.26 50.24 -71.69 -34.17 14.76 0.54 84.70 4.40 2.22 8.49 76.87 7.46 0.06 0.36 0.16 82 A H H 22.70 16.35 14.50 30.82 95.03 63.31 -65.66 -39.94 22.90 1.87 75.23 12.17 4.26 8.06 68.53 5.20 0.06 1.19 0.52 83 V H H 71.01 9.73 17.61 27.58 95.09 50.37 -70.63 -35.91 28.77 3.11 68.12 15.15 5.11 10.17 61.23 5.32 0.10 2.10 0.82 84 S H H 65.39 4.04 18.28 22.56 97.03 54.90 -75.04 -34.53 39.13 2.34 58.53 17.76 7.80 15.16 51.54 5.46 0.11 1.37 0.80 85 E C H 107.49 6.50 16.91 24.00 97.33 45.03 -74.89 -19.12 57.69 0.79 41.53 10.70 11.13 34.97 37.42 4.95 0.07 0.35 0.42 86 G C T 27.93 11.68 15.49 27.25 100.10 47.56 -44.18 -35.40 66.56 0.66 32.77 19.23 12.59 34.63 28.09 4.80 0.02 0.29 0.35 87 T H H 59.82 10.40 15.82 26.64 96.56 59.23 -70.84 -31.05 47.21 1.66 51.13 31.44 8.05 8.22 45.84 5.02 0.01 0.89 0.54 88 K H H 116.89 4.34 19.45 24.23 95.01 61.65 -67.72 -36.43 34.47 3.36 62.17 23.29 6.01 6.93 55.51 5.19 0.03 2.28 0.74 89 A H H 37.21 9.41 16.20 26.88 93.95 56.67 -66.98 -38.48 26.00 4.27 69.73 18.96 4.06 4.89 62.74 5.24 0.03 3.45 0.64 90 V H H 50.70 12.24 15.37 27.96 94.30 52.99 -67.34 -38.86 20.33 4.86 74.80 15.16 3.16 3.88 68.30 4.65 0.03 4.25 0.58 91 T H H 69.12 5.84 16.74 23.50 94.76 55.08 -69.18 -38.63 20.77 4.12 75.11 15.18 3.05 4.24 69.01 4.38 0.03 3.60 0.52 92 K H H 120.92 3.45 16.76 20.75 94.96 53.19 -69.88 -36.09 23.06 2.71 74.23 14.78 3.83 6.09 68.33 4.35 0.04 2.10 0.48 93 Y H H 100.83 8.96 12.38 22.29 97.81 53.64 -75.46 -30.37 26.45 1.94 71.61 15.77 4.67 7.66 66.11 4.01 0.04 1.26 0.49 94 T H H 75.20 6.45 11.90 19.67 99.43 56.31 -78.30 -25.39 33.19 1.28 65.53 18.21 5.69 10.23 61.52 3.22 0.03 0.69 0.43 95 S H H 80.69 2.50 11.52 15.10 98.88 59.38 -78.82 -13.27 47.08 1.08 51.84 21.89 8.14 17.49 48.31 3.16 0.03 0.49 0.48 96 A C C 75.53 3.68 8.94 14.44 102.30 77.96 -81.65 9.84 69.63 0.67 29.71 46.86 2.61 18.78 29.05 2.05 0.00 0.30 0.36 97 K C C 146.57 3.05 11.75 16.41 106.21 90.41 -83.36 75.26 99.88 0.03 0.09 99.68 0.10 0.15 0.06 0.00 0.00 0.01 0.00