# 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 M C C 101.25 8.00 12.29 21.41 116.02 -166.14 -95.74 135.62 99.83 0.12 0.05 99.76 0.10 0.05 0.02 0.00 0.00 0.05 0.02 1 S C C 68.58 4.91 11.29 17.76 114.06 -142.33 -91.14 139.84 85.91 3.71 10.38 81.96 1.13 3.61 8.29 1.54 0.00 2.13 1.34 2 T C C 88.17 5.66 10.31 17.39 102.71 -149.58 -85.99 -0.41 67.50 6.58 25.92 46.50 11.53 9.08 20.89 5.76 0.03 4.33 1.88 3 R C C 139.75 5.14 11.29 17.97 104.04 79.81 -84.05 17.53 57.75 7.59 34.67 38.12 11.11 8.82 27.13 7.66 0.04 5.42 1.69 4 K C C 129.82 3.86 13.42 18.63 105.79 78.13 -85.10 50.38 56.09 8.68 35.23 39.56 8.92 7.62 28.18 7.36 0.03 6.55 1.78 5 I C C 77.84 9.61 12.19 22.72 106.70 76.18 -88.89 46.91 57.58 8.16 34.26 41.68 8.81 6.92 29.26 5.49 0.03 5.99 1.83 6 F C C 89.19 10.42 11.93 23.19 110.60 67.89 -93.73 112.93 65.99 5.66 28.35 46.84 10.88 7.51 25.75 3.73 0.02 3.64 1.63 7 D C C 78.54 5.42 14.56 21.15 110.07 -136.55 -84.34 135.79 72.57 2.46 24.97 52.29 12.29 6.49 24.34 2.40 0.00 1.36 0.82 8 S H H 72.26 3.60 15.03 19.44 95.55 -97.01 -64.89 -36.21 30.69 0.75 68.56 16.37 8.49 7.27 64.66 2.57 0.02 0.37 0.26 9 E H H 100.06 6.68 16.43 23.89 93.74 50.43 -67.12 -38.45 14.23 0.33 85.44 6.36 2.74 6.04 81.77 2.77 0.02 0.18 0.12 10 E H H 53.57 14.17 15.30 29.48 93.34 51.26 -66.84 -39.91 8.89 0.26 90.85 4.54 1.49 3.65 87.68 2.39 0.02 0.16 0.07 11 Q H H 78.42 7.03 18.54 26.44 92.38 52.43 -64.89 -40.35 3.81 0.10 96.09 2.05 0.60 1.46 94.75 1.05 0.01 0.06 0.02 12 S H H 44.27 5.34 20.38 26.47 91.96 51.55 -64.47 -41.07 2.16 0.06 97.78 1.02 0.28 0.93 97.19 0.51 0.00 0.03 0.01 13 F H H 35.00 16.12 18.56 34.77 92.20 50.65 -64.64 -42.65 1.03 0.04 98.93 0.42 0.13 0.51 98.62 0.29 0.00 0.02 0.00 14 I H H 37.43 15.03 19.03 34.13 91.76 50.51 -63.89 -42.04 0.58 0.02 99.39 0.22 0.06 0.29 99.22 0.18 0.00 0.01 0.00 15 R H H 121.86 3.54 23.33 26.57 91.53 50.88 -63.93 -41.33 0.66 0.03 99.32 0.18 0.06 0.40 99.16 0.18 0.00 0.01 0.00 16 L H H 46.06 9.48 20.11 30.68 92.02 49.87 -64.59 -42.30 1.10 0.03 98.87 0.22 0.09 0.77 98.63 0.27 0.00 0.02 0.00 17 V H H 13.85 19.67 16.00 35.76 92.17 49.52 -65.31 -41.22 2.01 0.04 97.95 0.33 0.18 1.50 97.44 0.52 0.01 0.02 0.01 18 D H H 65.14 9.41 18.09 28.13 92.00 52.23 -65.06 -37.07 5.90 0.05 94.05 0.78 0.48 4.67 92.42 1.59 0.02 0.03 0.02 19 K H H 131.34 2.34 19.52 21.42 93.58 50.08 -70.65 -34.45 13.62 0.06 86.32 0.80 0.83 12.00 83.23 3.03 0.05 0.03 0.03 20 F H H 75.62 11.54 15.65 27.58 98.73 43.64 -83.20 -28.15 22.42 0.24 77.34 2.10 2.15 18.16 73.98 3.24 0.12 0.11 0.13 21 Y C H 68.62 15.05 12.22 26.85 101.40 44.20 -96.91 4.81 51.46 2.65 45.89 14.68 8.11 29.81 40.11 4.42 0.22 1.18 1.47 22 L C T 115.12 4.49 14.19 20.30 103.10 143.17 -59.43 81.75 80.73 1.06 18.21 5.89 5.12 67.91 16.76 3.13 0.02 0.48 0.70 23 G C T 62.69 1.26 16.40 17.22 96.84 -16.16 82.01 1.94 88.87 0.42 10.70 7.20 7.77 73.77 8.09 2.70 0.00 0.22 0.25 24 L C C 48.96 14.02 10.44 24.83 119.65 124.35 -92.09 144.42 89.80 3.40 6.80 52.78 32.71 4.30 5.15 1.72 0.01 1.34 1.99 25 S C C 55.92 4.43 21.75 25.96 115.32 -115.12 -77.07 149.66 88.72 5.60 5.68 83.87 3.37 1.38 5.30 0.66 0.00 2.14 3.28 26 L H H 38.16 20.01 15.09 34.38 92.95 -123.29 -61.15 -36.09 4.86 0.08 95.06 2.27 1.01 1.73 94.26 0.67 0.00 0.03 0.02 27 T H H 58.38 11.67 20.61 32.08 91.89 55.40 -63.19 -41.55 1.68 0.03 98.28 0.44 0.22 0.97 97.72 0.62 0.00 0.02 0.01 28 K H H 104.26 4.90 24.20 29.21 92.04 48.84 -66.34 -40.56 0.78 0.03 99.20 0.22 0.09 0.44 98.61 0.61 0.00 0.02 0.00 29 L H H 18.82 16.85 20.38 37.51 91.82 49.81 -64.10 -43.16 0.54 0.02 99.44 0.17 0.07 0.29 99.17 0.29 0.00 0.01 0.00 30 C H H 12.25 19.96 20.33 40.04 91.63 50.04 -63.55 -43.03 0.79 0.02 99.19 0.22 0.09 0.44 99.08 0.15 0.00 0.01 0.00 31 A H H 39.29 8.82 23.29 32.69 91.47 50.52 -63.01 -42.46 0.73 0.01 99.26 0.16 0.07 0.44 99.16 0.16 0.00 0.01 0.00 32 Q H H 86.07 5.60 25.60 31.44 91.80 48.91 -64.98 -41.51 1.37 0.02 98.61 0.24 0.12 0.92 98.45 0.26 0.00 0.01 0.00 33 S H H 13.59 17.84 20.87 38.59 91.96 49.38 -65.40 -41.85 3.48 0.04 96.48 0.72 0.34 2.28 96.19 0.41 0.01 0.02 0.01 34 C H H 17.08 18.23 19.74 37.80 91.62 51.52 -64.49 -41.58 4.97 0.11 94.92 1.72 0.66 2.73 93.90 0.88 0.01 0.06 0.03 35 N H H 79.23 4.86 24.09 28.98 91.59 51.49 -64.29 -40.38 6.23 0.19 93.57 1.86 0.78 3.79 91.49 1.89 0.03 0.12 0.05 36 L H H 59.27 8.07 21.38 30.17 91.98 51.01 -65.07 -41.25 8.52 0.32 91.16 2.30 1.11 5.35 88.50 2.40 0.06 0.20 0.09 37 L H H 22.66 18.42 16.62 34.92 92.40 49.91 -66.45 -39.17 13.45 0.73 85.81 4.92 2.20 7.33 81.83 2.96 0.08 0.44 0.25 38 R H H 102.71 10.84 18.08 28.99 92.62 53.53 -66.80 -35.61 23.05 1.32 75.63 8.21 4.05 12.53 70.16 3.67 0.14 0.77 0.47 39 N H H 102.38 2.91 18.81 21.62 95.61 51.20 -74.78 -26.31 35.67 1.85 62.48 12.68 6.80 18.18 56.38 4.10 0.13 1.08 0.66 40 D H H 71.63 8.38 15.27 24.42 102.00 55.90 -83.98 -5.35 46.45 3.48 50.07 23.76 7.89 16.51 44.18 4.38 0.08 2.11 1.10 41 I C H 68.41 12.57 11.20 23.72 101.53 70.48 -82.03 -5.61 51.19 6.83 41.98 25.50 10.90 16.92 35.53 4.69 0.21 3.98 2.27 42 S C T 78.01 3.62 13.87 18.79 101.70 65.78 -80.27 6.33 64.47 3.23 32.30 21.96 12.66 30.37 27.17 4.74 0.10 1.75 1.24 43 G C T 56.19 2.85 13.75 17.52 101.12 -31.79 76.17 1.14 73.38 1.23 25.38 18.10 19.86 36.08 19.13 5.55 0.04 0.57 0.66 44 S C C 63.02 5.79 12.42 19.79 114.04 113.50 -91.59 143.27 63.70 2.29 34.01 28.91 17.90 17.72 27.13 6.19 0.06 1.11 0.98 45 A C H 70.77 5.09 15.07 21.31 108.17 -117.25 -81.34 104.27 49.66 4.87 45.48 27.13 13.53 11.01 37.87 5.99 0.11 2.85 1.50 46 L C H 46.20 15.96 10.08 25.55 116.48 -142.84 -90.63 136.39 47.92 5.96 46.12 31.35 10.69 7.37 40.50 4.69 0.06 3.75 1.57 47 T H H 62.70 4.78 16.79 22.38 119.21 -129.07 -81.97 163.88 47.86 3.95 48.19 36.51 6.74 5.14 45.11 3.01 0.01 2.51 0.97 48 Q H H 125.62 3.34 15.20 19.72 92.23 -102.13 -59.93 -36.63 13.39 1.25 85.36 6.92 3.14 4.70 81.03 2.92 0.04 0.98 0.26 49 K H H 120.47 3.91 17.69 22.44 92.52 53.17 -65.84 -39.08 11.32 1.00 87.68 5.07 2.10 5.02 83.53 3.21 0.05 0.80 0.22 50 E H H 41.94 16.12 15.20 31.10 92.54 50.54 -66.93 -39.68 9.96 0.64 89.39 5.31 1.70 3.77 85.66 2.92 0.02 0.45 0.16 51 K H H 82.66 11.60 18.71 30.32 92.02 52.96 -63.29 -41.04 6.79 0.44 92.76 3.52 1.18 2.69 90.01 2.17 0.01 0.31 0.11 52 D H H 77.30 3.97 23.12 26.74 92.07 50.79 -65.03 -40.44 8.26 0.71 91.03 3.55 1.25 3.93 88.27 2.25 0.03 0.56 0.17 53 C H H 22.83 13.99 19.80 34.39 92.21 50.42 -65.09 -42.38 8.08 0.83 91.08 3.51 1.27 3.82 88.33 2.18 0.03 0.69 0.18 54 L H H 19.43 19.43 18.92 37.99 91.81 51.08 -64.17 -41.79 6.37 1.37 92.26 3.32 1.11 2.59 89.36 2.12 0.03 1.31 0.17 55 S H H 47.58 7.60 22.84 30.81 91.71 52.14 -64.21 -40.11 8.11 2.52 89.37 3.14 1.21 4.27 85.90 2.63 0.06 2.55 0.23 56 I H H 65.88 7.28 22.73 30.43 92.23 49.97 -65.73 -41.56 9.09 3.03 87.87 3.20 1.37 4.99 83.99 2.95 0.09 3.14 0.28 57 C H H 16.16 17.83 18.48 36.27 93.20 49.64 -67.98 -40.05 13.92 3.48 82.60 5.31 2.19 7.22 78.54 2.91 0.10 3.25 0.48 58 Y H H 64.15 14.83 18.66 33.01 94.39 49.99 -69.26 -34.86 23.01 4.22 72.77 9.08 4.10 11.55 67.23 3.48 0.22 3.47 0.87 59 N H H 86.41 5.08 20.31 25.53 95.11 54.40 -71.18 -28.53 34.96 2.21 62.83 10.60 6.04 19.39 58.35 3.36 0.15 1.50 0.62 60 N H H 68.97 8.35 17.28 26.40 98.86 51.52 -82.96 -13.07 46.52 2.19 51.28 16.99 7.83 22.60 46.65 3.83 0.09 1.31 0.71 61 I H H 51.77 14.73 12.94 27.41 97.83 69.83 -73.23 -33.56 44.69 4.08 51.22 22.24 10.10 14.23 44.97 4.63 0.11 2.59 1.13 62 E H H 114.78 5.04 15.70 21.80 98.11 60.45 -73.43 -27.92 47.20 2.96 49.84 23.58 9.28 15.41 43.83 5.12 0.07 1.90 0.83 63 K C H 131.60 3.41 15.61 19.77 98.70 55.47 -78.98 -16.81 50.24 2.35 47.41 22.39 11.18 17.48 41.30 5.43 0.07 1.41 0.75 64 T C H 61.96 8.84 13.85 23.60 105.39 49.79 -91.23 4.05 52.01 2.67 45.31 28.01 11.08 13.61 40.14 4.74 0.04 1.55 0.82 65 Q H H 97.47 8.77 15.34 24.59 100.47 -127.70 -69.55 -9.11 47.48 3.07 49.46 26.99 10.81 10.60 44.31 4.52 0.03 1.95 0.79 66 S H H 53.37 7.91 16.66 25.33 104.41 88.56 -79.08 -21.10 40.38 3.95 55.67 24.36 7.85 9.22 49.40 5.42 0.03 2.98 0.74 67 A H H 45.18 9.55 17.42 27.61 100.14 56.68 -73.75 -31.20 27.02 7.73 65.25 15.06 5.33 7.83 56.95 6.77 0.11 7.11 0.84 68 F H H 64.31 13.61 17.52 31.11 97.65 57.47 -71.53 -35.88 20.13 15.06 64.81 11.47 3.63 5.80 57.16 6.12 0.13 14.65 1.04 69 Y H H 83.68 12.53 18.47 30.88 98.48 56.16 -74.61 -31.56 16.61 18.66 64.73 9.74 2.84 4.40 58.76 4.85 0.08 18.38 0.95 70 A H H 42.75 9.76 18.17 28.54 100.57 55.51 -74.03 -30.92 20.63 18.95 60.42 11.55 3.41 5.60 55.22 4.29 0.08 19.00 0.86 71 K H H 95.99 8.80 19.53 28.49 100.00 53.12 -80.19 -13.95 24.61 19.49 55.90 13.27 4.10 7.09 51.13 4.10 0.09 19.19 1.03 72 V H H 39.34 15.50 14.63 30.04 103.04 63.47 -81.00 -9.38 26.92 17.68 55.39 17.01 4.60 5.65 50.91 3.48 0.07 17.08 1.20 73 K H H 106.26 8.02 17.00 25.59 102.16 67.10 -80.78 -8.64 32.64 14.92 52.45 21.21 4.65 6.61 48.10 3.78 0.05 14.47 1.14 74 T H H 75.41 6.36 15.25 22.51 104.65 58.22 -86.44 -14.54 40.06 11.70 48.24 23.22 6.82 10.32 42.99 4.76 0.09 10.47 1.32 75 T C H 75.05 7.88 14.06 22.72 102.03 55.52 -86.02 -5.50 48.39 10.55 41.07 26.08 8.72 14.13 35.67 4.99 0.12 8.57 1.72 76 M C C 92.25 9.35 12.52 22.61 103.79 73.35 -90.07 18.30 64.63 9.98 25.39 31.09 13.87 20.12 20.78 4.78 0.13 7.19 2.06 77 N C C 117.08 3.24 15.99 20.31 104.25 -128.29 -87.35 64.03 80.59 9.03 10.38 44.40 16.79 19.97 7.02 3.29 0.02 6.40 2.10 78 L C C 63.13 12.49 10.69 23.83 118.35 160.40 -93.90 138.04 90.67 7.70 1.63 65.22 24.36 1.61 1.04 0.59 0.00 5.37 1.81 79 P C C 76.82 5.41 16.58 23.02 113.70 -108.94 -68.63 149.45 85.63 9.44 4.93 75.97 5.85 3.49 2.92 1.93 0.00 7.91 1.93 80 A C C 62.23 9.39 13.08 23.38 114.13 -112.66 -78.61 140.08 66.08 24.30 9.62 50.91 8.98 4.99 6.14 4.00 0.05 18.60 6.33 81 V C C 69.62 10.05 11.58 22.65 116.48 -143.23 -98.21 133.89 59.24 30.13 10.63 44.71 8.79 4.55 7.27 4.05 0.09 24.06 6.48 82 E C C 122.36 4.30 12.94 18.80 113.07 -138.63 -88.26 133.42 64.72 22.80 12.48 47.53 9.83 6.76 7.65 5.07 0.06 19.23 3.88 83 D C C 98.24 5.32 10.54 17.43 107.19 -136.92 -85.59 98.94 76.55 11.40 12.05 45.43 15.40 16.49 5.70 6.01 0.03 8.40 2.54 84 D C T 104.08 3.48 12.00 16.84 100.28 132.23 -88.87 7.65 85.25 4.88 9.86 31.08 20.30 34.92 3.53 5.64 0.01 3.07 1.45 85 G C C 49.29 4.68 12.08 18.29 101.12 -97.57 81.66 4.90 86.94 5.70 7.35 31.86 27.05 29.20 1.79 4.96 0.01 3.57 1.55 86 E C C 110.57 5.04 12.04 18.84 116.17 129.93 -91.46 136.82 81.26 11.91 6.83 54.99 16.59 9.59 2.14 4.79 0.01 8.11 3.78 87 E C C 121.35 5.47 12.96 20.11 115.02 -138.97 -92.86 135.60 79.41 14.52 6.08 53.91 13.59 11.82 1.98 4.15 0.01 9.95 4.59 88 G C C 36.36 9.33 11.85 21.95 117.17 -155.35 -108.50 170.73 85.89 9.95 4.16 52.48 17.82 15.89 0.94 3.30 0.00 7.03 2.54 89 G C C 40.53 6.78 12.05 20.08 118.98 -151.35 -120.89 168.31 84.78 9.73 5.49 46.85 22.71 15.62 1.07 4.56 0.00 6.30 2.89 90 D C C 110.29 3.07 11.01 15.62 106.78 -93.40 -87.51 77.73 83.58 9.21 7.20 46.46 21.41 16.18 1.41 5.79 0.00 5.96 2.79 91 D C C 105.64 3.56 9.33 14.69 106.92 83.11 -87.50 71.36 88.32 5.48 6.20 72.63 4.52 11.45 1.54 4.19 0.00 3.75 1.91 92 E C C 134.20 3.37 11.24 16.31 106.09 143.06 -86.98 71.90 99.68 0.25 0.07 99.47 0.18 0.14 0.02 0.01 0.00 0.13 0.05