# 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 G C C 45.83 5.45 12.19 19.06 119.35 -166.38 -115.31 171.28 99.93 0.05 0.02 99.83 0.09 0.04 0.01 0.00 0.00 0.02 0.01 1 S C C 82.04 3.26 10.41 15.19 112.08 -117.68 -93.15 133.16 83.71 1.72 14.57 78.28 1.46 5.40 9.77 3.34 0.00 0.91 0.84 2 H C C 145.70 2.34 9.16 13.08 108.66 -129.72 -90.24 97.84 65.36 3.76 30.88 40.80 11.69 13.16 19.96 10.62 0.03 2.09 1.64 3 M C C 129.73 3.44 8.72 13.84 106.23 91.83 -87.24 56.51 57.44 3.19 39.38 32.28 11.60 14.34 25.24 13.40 0.04 1.80 1.30 4 S C C 76.50 3.60 9.93 15.16 109.10 89.93 -90.00 103.01 56.44 2.70 40.86 34.77 10.70 11.69 28.79 11.41 0.03 1.44 1.18 5 A C C 73.25 4.30 10.02 16.00 107.61 -142.42 -83.89 98.10 55.70 2.19 42.11 34.75 13.38 8.91 32.82 8.13 0.02 1.07 0.92 6 T C C 92.32 3.86 10.61 16.08 105.76 -133.67 -84.60 76.92 55.05 3.36 41.60 36.74 9.27 9.72 32.48 8.59 0.03 1.88 1.30 7 A C C 75.13 4.36 10.31 16.30 106.91 61.94 -83.46 105.90 56.80 4.57 38.63 35.53 9.96 11.91 28.82 9.35 0.04 2.58 1.81 8 A C C 79.04 3.71 10.55 16.00 107.82 -132.64 -87.43 94.31 68.08 4.29 27.63 36.77 14.01 17.76 19.58 7.70 0.04 2.41 1.72 9 T C C 97.79 3.40 11.29 16.45 112.84 -137.69 -98.60 120.12 80.97 4.82 14.21 46.09 19.72 15.64 8.39 5.38 0.02 2.40 2.36 10 V C C 91.47 6.00 9.92 17.79 117.68 -151.58 -99.02 132.67 96.21 3.02 0.77 60.70 34.45 1.33 0.39 0.32 0.00 1.14 1.67 11 P C C 79.84 5.17 11.22 18.27 115.53 -107.57 -68.09 149.18 98.41 0.90 0.69 85.73 10.68 2.01 0.22 0.44 0.00 0.44 0.49 12 P C C 103.72 3.23 11.82 16.77 107.41 -102.82 -67.72 143.20 93.66 1.03 5.31 47.72 13.46 32.11 0.84 4.81 0.00 0.52 0.54 13 A C C 82.37 3.62 11.11 16.24 107.66 -100.41 -85.20 89.24 90.79 2.80 6.41 37.35 21.67 31.65 0.99 5.56 0.00 1.27 1.50 14 A C C 55.70 7.09 9.01 17.74 117.81 -116.74 -92.93 138.99 94.36 2.91 2.73 58.78 31.74 3.65 0.87 1.75 0.00 1.09 2.13 15 P C C 92.69 3.61 12.01 16.98 110.91 -105.12 -68.35 148.66 85.95 1.75 12.30 47.71 11.81 25.72 1.99 10.99 0.00 0.87 0.90 16 A C T 87.51 2.69 11.14 15.18 107.49 -90.66 -76.98 129.34 82.90 2.31 14.79 26.39 17.79 38.70 2.12 12.66 0.01 1.12 1.21 17 G C C 47.42 4.61 10.44 16.59 113.26 28.63 92.38 171.83 83.72 3.02 13.26 40.98 20.02 22.11 1.87 12.04 0.00 1.37 1.62 18 E C C 147.46 2.14 11.17 14.62 108.37 -73.70 -83.90 110.74 89.14 4.05 6.81 48.34 18.85 21.87 1.47 5.42 0.00 1.87 2.18 19 G C C 54.89 2.89 11.32 15.56 109.16 15.39 84.75 0.97 93.98 3.01 3.02 42.20 29.20 22.51 0.52 2.68 0.00 1.40 1.49 20 G C C 41.44 4.58 11.23 17.38 126.82 -150.28 -118.75 175.36 97.62 2.04 0.34 52.06 43.65 2.01 0.07 0.27 0.00 0.84 1.11 21 P C C 97.60 2.96 12.36 16.63 116.42 -55.15 -70.50 149.02 98.63 1.18 0.19 80.14 17.28 1.20 0.05 0.15 0.00 0.54 0.64 22 P C C 98.04 4.12 10.91 16.90 111.73 -99.63 -67.55 145.23 97.70 1.72 0.58 81.23 13.08 3.14 0.14 0.47 0.00 0.69 1.26 23 A C C 78.42 3.37 10.04 15.37 116.68 -106.55 -85.12 147.09 98.53 1.21 0.26 76.59 20.78 1.02 0.08 0.16 0.00 0.40 0.97 24 P C C 100.48 2.70 11.02 15.42 115.68 -97.69 -68.28 148.57 99.62 0.27 0.12 85.19 13.99 0.43 0.05 0.05 0.00 0.09 0.20 25 P C C 88.67 3.99 10.03 15.91 114.47 -97.72 -65.98 149.13 97.61 0.18 2.22 89.62 5.61 2.65 0.98 0.92 0.00 0.06 0.16 26 P C C 99.48 3.17 10.69 15.47 107.75 -101.87 -66.77 146.35 84.68 0.45 14.87 42.94 16.10 26.19 7.02 7.18 0.00 0.17 0.40 27 N C C 108.20 2.99 11.00 15.36 107.99 -99.53 -86.74 105.33 78.08 1.14 20.78 46.02 11.79 20.71 12.17 7.93 0.00 0.46 0.92 28 L H H 96.33 4.94 10.05 16.68 98.44 -166.63 -75.83 -23.30 45.29 0.78 53.93 27.03 9.97 10.24 45.75 6.25 0.01 0.31 0.43 29 T H H 84.26 2.40 12.73 15.83 95.00 69.67 -68.63 -38.22 37.21 0.53 62.27 22.45 6.54 9.56 56.99 3.97 0.01 0.22 0.27 30 S H H 61.97 2.89 12.70 16.54 95.11 52.50 -68.45 -40.05 19.78 0.24 79.98 11.16 4.19 5.76 75.67 3.00 0.01 0.10 0.12 31 N H H 91.16 3.16 12.53 16.80 93.87 51.98 -67.33 -37.89 9.95 0.09 89.96 4.92 1.86 3.66 87.73 1.74 0.00 0.04 0.04 32 R H H 138.85 2.05 14.08 16.34 92.75 52.07 -65.45 -40.15 5.03 0.05 94.92 2.29 0.82 2.07 93.67 1.11 0.00 0.02 0.02 33 R H H 133.69 2.17 14.59 17.07 92.11 51.02 -65.00 -40.96 2.89 0.03 97.08 1.31 0.42 1.23 96.32 0.69 0.00 0.01 0.01 34 L H H 85.46 3.22 14.03 18.29 92.22 50.37 -64.45 -41.56 1.66 0.02 98.32 0.69 0.20 0.72 97.97 0.41 0.00 0.01 0.00 35 Q H H 107.23 1.92 15.73 17.46 91.95 50.32 -64.61 -41.08 0.99 0.00 99.01 0.37 0.10 0.43 98.88 0.21 0.00 0.00 0.00 36 Q H H 105.91 1.84 16.06 17.50 92.15 50.03 -64.99 -41.21 0.88 0.00 99.12 0.27 0.09 0.43 99.04 0.17 0.00 0.00 0.00 37 T H H 67.49 2.97 15.26 18.90 92.08 49.87 -64.44 -41.73 0.88 0.00 99.12 0.25 0.08 0.44 99.07 0.15 0.00 0.00 0.00 38 Q H H 101.47 2.54 16.09 18.86 92.03 50.39 -64.48 -40.59 0.67 0.00 99.33 0.16 0.05 0.35 99.31 0.13 0.00 0.00 0.00 39 A H H 54.40 2.38 15.90 18.44 91.56 51.12 -63.74 -41.12 0.92 0.00 99.08 0.16 0.06 0.55 99.05 0.18 0.00 0.00 0.00 40 Q H H 102.98 2.01 16.32 18.01 92.02 50.19 -65.25 -40.80 1.60 0.00 98.39 0.22 0.09 1.08 98.39 0.21 0.00 0.00 0.00 41 V H H 77.31 2.90 15.19 18.66 92.01 49.98 -64.57 -41.50 0.90 0.00 99.10 0.20 0.08 0.48 99.14 0.10 0.00 0.00 0.00 42 D H H 86.99 2.06 16.00 17.92 91.71 50.59 -64.51 -40.74 0.45 0.00 99.54 0.11 0.03 0.22 99.59 0.06 0.00 0.00 0.00 43 E H H 111.93 1.84 16.18 17.58 92.04 50.28 -65.16 -40.93 0.38 0.00 99.62 0.06 0.02 0.22 99.65 0.05 0.00 0.00 0.00 44 V H H 80.05 2.37 15.91 18.32 92.04 49.63 -64.82 -42.33 0.23 0.00 99.77 0.04 0.01 0.13 99.79 0.04 0.00 0.00 0.00 45 V H H 73.71 2.85 15.41 18.86 91.79 49.65 -64.21 -41.77 0.17 0.00 99.83 0.03 0.01 0.09 99.85 0.02 0.00 0.00 0.00 46 D H H 81.11 2.19 15.92 18.06 92.01 50.40 -64.27 -41.14 0.27 0.00 99.73 0.04 0.01 0.15 99.77 0.03 0.00 0.00 0.00 47 I H H 96.57 1.87 15.96 17.40 91.60 49.81 -64.16 -41.88 0.21 0.00 99.79 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 48 M H H 103.14 2.14 15.70 17.77 91.60 50.05 -64.68 -41.07 0.31 0.00 99.69 0.04 0.01 0.19 99.70 0.05 0.00 0.00 0.00 49 R H H 133.34 2.05 15.82 17.80 91.87 50.15 -64.82 -40.73 0.68 0.00 99.32 0.08 0.03 0.46 99.33 0.10 0.00 0.00 0.00 50 V H H 78.71 2.15 15.66 17.79 91.89 49.92 -64.30 -42.27 1.50 0.00 98.49 0.19 0.11 1.02 98.54 0.14 0.00 0.00 0.00 51 N H H 85.71 2.13 15.80 17.80 92.03 49.90 -64.65 -40.92 2.82 0.00 97.17 0.48 0.19 1.79 97.36 0.17 0.00 0.00 0.00 52 V H H 80.74 2.19 15.52 17.72 91.74 49.90 -64.51 -41.73 1.11 0.00 98.89 0.24 0.09 0.61 98.91 0.15 0.00 0.00 0.00 53 D H H 84.58 1.86 16.01 17.48 91.61 50.26 -64.67 -40.58 0.73 0.00 99.27 0.14 0.05 0.40 99.28 0.13 0.00 0.00 0.00 54 K H H 115.44 1.95 15.74 17.48 92.02 50.48 -65.21 -40.85 0.86 0.00 99.14 0.13 0.06 0.52 99.14 0.15 0.00 0.00 0.00 55 V H H 79.62 2.22 15.15 17.51 91.77 50.11 -64.40 -42.02 0.78 0.00 99.21 0.13 0.06 0.46 99.20 0.14 0.00 0.00 0.00 56 L H H 92.50 1.76 15.48 16.83 91.66 49.88 -64.25 -41.29 0.94 0.00 99.06 0.20 0.08 0.52 99.04 0.17 0.00 0.00 0.00 57 E H H 108.40 1.66 15.58 16.69 91.75 49.89 -64.46 -40.85 1.29 0.00 98.70 0.25 0.10 0.77 98.66 0.22 0.00 0.00 0.00 58 R H H 127.91 2.09 15.02 17.21 91.83 50.41 -64.68 -40.68 1.42 0.00 98.58 0.25 0.12 0.86 98.49 0.28 0.00 0.00 0.00 59 D H H 84.20 1.98 15.10 17.05 91.71 50.59 -64.88 -40.06 1.86 0.00 98.14 0.39 0.17 1.08 97.99 0.37 0.00 0.00 0.00 60 Q H H 106.31 1.58 15.66 16.59 92.07 50.50 -65.35 -40.42 3.16 0.01 96.83 0.60 0.28 1.98 96.56 0.57 0.00 0.00 0.00 61 K H H 119.42 1.75 15.40 16.82 91.89 50.34 -65.08 -40.74 4.94 0.02 95.04 1.05 0.48 3.07 94.57 0.81 0.00 0.01 0.01 62 L H H 90.16 2.27 14.57 17.13 91.84 50.53 -64.39 -40.89 4.37 0.02 95.61 1.37 0.53 2.27 94.71 1.11 0.00 0.01 0.01 63 S H H 61.30 1.80 15.44 16.88 91.71 50.78 -64.32 -40.88 6.15 0.03 93.83 1.83 0.65 3.38 92.88 1.24 0.00 0.01 0.01 64 E H H 109.86 1.61 15.74 16.65 91.92 50.06 -65.01 -40.67 6.47 0.02 93.51 1.68 0.70 3.77 92.80 1.03 0.00 0.01 0.01 65 L H H 90.11 2.24 14.77 17.21 91.93 50.43 -64.72 -41.02 3.12 0.01 96.87 1.06 0.41 1.47 96.50 0.54 0.00 0.00 0.00 66 D H H 85.44 1.95 15.15 17.03 91.67 50.65 -64.08 -40.96 1.82 0.00 98.18 0.64 0.20 0.81 98.07 0.29 0.00 0.00 0.00 67 D H H 90.52 1.49 15.94 16.60 91.98 49.83 -65.12 -40.83 1.30 0.00 98.70 0.34 0.12 0.66 98.64 0.23 0.00 0.00 0.00 68 R H H 138.62 1.60 15.95 16.92 92.07 50.07 -64.89 -41.06 0.74 0.00 99.25 0.16 0.07 0.40 99.21 0.16 0.00 0.00 0.00 69 A H H 53.07 2.76 14.63 18.19 91.62 50.53 -63.88 -41.17 0.56 0.00 99.44 0.11 0.04 0.30 99.43 0.12 0.00 0.00 0.00 70 D H H 87.67 1.74 16.07 17.31 91.71 49.79 -64.64 -40.62 0.58 0.00 99.42 0.10 0.04 0.32 99.43 0.11 0.00 0.00 0.00 71 A H H 62.99 1.72 15.85 17.02 91.86 50.85 -64.23 -41.16 0.61 0.00 99.39 0.09 0.04 0.35 99.40 0.11 0.00 0.00 0.00 72 L H H 98.82 1.89 15.51 17.13 92.03 49.53 -64.81 -40.94 0.70 0.00 99.30 0.12 0.05 0.40 99.30 0.13 0.00 0.00 0.00 73 Q H H 110.19 1.88 15.78 17.46 92.00 50.03 -64.75 -40.55 0.94 0.00 99.06 0.16 0.07 0.54 99.07 0.15 0.00 0.00 0.00 74 A H H 60.67 1.85 15.86 17.33 91.66 50.46 -63.93 -41.10 1.50 0.00 98.49 0.19 0.10 0.97 98.52 0.21 0.00 0.00 0.00 75 G H H 37.07 2.13 15.52 17.72 91.88 50.31 -63.98 -40.76 2.80 0.00 97.19 0.38 0.20 1.84 97.25 0.31 0.00 0.00 0.00 76 A H H 55.25 2.57 14.84 18.03 91.92 51.21 -64.17 -40.73 2.15 0.00 97.84 0.45 0.19 1.19 97.77 0.39 0.00 0.00 0.00 77 S H H 63.33 1.98 15.66 17.47 92.03 51.14 -64.93 -40.20 2.49 0.01 97.51 0.54 0.21 1.42 97.38 0.44 0.00 0.00 0.00 78 Q H H 112.84 1.48 15.65 16.40 91.89 50.92 -65.21 -40.84 2.18 0.01 97.82 0.49 0.20 1.20 97.74 0.36 0.00 0.00 0.00 79 F H H 125.10 1.84 15.06 16.71 91.86 49.96 -65.00 -41.24 1.26 0.00 98.73 0.36 0.13 0.59 98.70 0.22 0.00 0.00 0.00 80 E H H 117.65 1.77 15.39 16.97 91.69 49.95 -64.38 -40.74 0.88 0.00 99.12 0.23 0.07 0.42 99.12 0.15 0.00 0.00 0.00 81 T H H 79.76 1.72 16.03 17.12 91.97 49.37 -64.88 -41.31 0.98 0.00 99.02 0.21 0.08 0.52 99.02 0.16 0.00 0.00 0.00 82 S H H 59.08 2.02 15.93 17.71 91.98 50.16 -64.69 -40.87 1.08 0.00 98.92 0.20 0.09 0.61 98.93 0.17 0.00 0.00 0.00 83 A H H 52.23 2.59 15.05 18.27 91.66 50.74 -64.13 -40.88 0.98 0.00 99.02 0.16 0.07 0.55 99.02 0.20 0.00 0.00 0.00 84 A H H 53.97 2.41 15.12 17.98 91.68 51.07 -63.81 -40.92 1.09 0.00 98.91 0.18 0.08 0.64 98.85 0.25 0.00 0.00 0.00 85 K H H 120.11 1.63 15.65 16.71 91.94 50.38 -64.74 -40.63 1.58 0.00 98.42 0.24 0.11 0.99 98.29 0.36 0.00 0.00 0.00 86 L H H 91.95 1.86 14.70 16.44 91.83 50.15 -64.74 -41.05 2.17 0.01 97.83 0.40 0.18 1.33 97.47 0.61 0.00 0.00 0.00 87 K H H 121.88 1.80 14.52 16.30 91.82 50.66 -64.84 -40.52 4.13 0.01 95.86 0.70 0.33 2.77 95.24 0.95 0.00 0.00 0.00 88 R H H 137.15 1.90 13.98 16.06 92.17 50.25 -65.55 -39.78 8.53 0.02 91.45 1.12 0.69 6.29 90.33 1.54 0.01 0.01 0.01 89 K H H 122.90 1.61 13.92 15.36 91.96 51.01 -65.30 -40.30 12.30 0.05 87.64 2.21 1.34 8.44 85.58 2.37 0.02 0.02 0.03 90 Y H H 131.41 1.57 13.40 14.78 92.59 49.60 -66.26 -40.93 12.38 0.15 87.47 3.68 1.84 7.21 83.20 3.91 0.02 0.07 0.08 91 W H H 139.62 2.05 11.98 14.66 92.62 49.92 -65.43 -40.75 10.26 0.13 89.60 3.19 1.43 5.90 83.46 5.86 0.02 0.08 0.06 92 W H H 142.35 2.31 10.77 14.23 93.01 50.39 -67.17 -37.74 9.87 0.13 90.01 3.06 1.37 5.58 82.46 7.38 0.02 0.08 0.05 93 K H H 140.62 1.26 11.10 12.61 92.97 53.71 -67.59 -35.54 13.83 0.11 86.06 2.97 1.79 8.99 79.29 6.81 0.03 0.06 0.06 94 N H H 122.67 1.03 9.98 11.20 95.12 50.30 -79.26 -16.55 30.61 0.18 69.21 5.63 3.26 21.94 64.33 4.61 0.03 0.08 0.12 95 L C H 114.24 2.73 7.64 12.06 101.26 65.20 -85.12 0.72 59.44 0.44 40.12 33.88 1.85 23.26 38.06 2.46 0.00 0.17 0.30 96 K C C 153.44 2.02 11.16 14.54 105.36 150.27 -82.47 75.43 99.93 0.03 0.04 99.79 0.07 0.09 0.03 0.00 0.00 0.02 0.00