# 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 101.43 5.91 11.90 19.09 112.70 -157.31 -86.33 136.17 98.87 0.28 0.85 98.40 0.27 0.31 0.73 0.06 0.00 0.13 0.08 1 A C C 69.29 3.42 10.00 14.85 103.39 -126.59 -74.40 -23.69 54.26 2.02 43.72 48.75 1.49 4.85 40.47 2.60 0.00 1.19 0.64 2 E H H 129.54 2.02 9.69 12.79 98.34 59.56 -73.00 -31.86 39.21 3.28 57.51 28.53 5.74 6.51 51.45 4.68 0.02 2.38 0.69 3 E H H 116.66 3.08 9.62 14.16 96.34 56.67 -70.31 -34.20 28.89 3.63 67.48 20.91 4.55 5.41 59.25 6.25 0.02 3.01 0.59 4 E H H 112.69 2.91 10.58 14.83 95.66 58.30 -70.39 -33.47 24.34 3.26 72.41 17.35 3.88 4.94 64.12 6.35 0.02 2.84 0.50 5 K H H 124.61 2.38 11.51 14.77 95.60 56.96 -70.08 -34.33 24.50 3.85 71.65 16.95 3.94 5.56 64.00 5.59 0.03 3.33 0.59 6 I H H 94.69 4.10 10.07 15.70 96.72 56.43 -73.14 -31.70 25.44 4.64 69.92 17.17 4.03 6.06 63.46 4.61 0.05 3.89 0.73 7 I H H 102.23 4.31 9.89 15.66 98.72 57.31 -77.98 -20.84 33.11 4.67 62.21 21.56 5.06 7.99 57.23 3.73 0.04 3.45 0.96 8 K C H 149.99 1.73 10.97 13.51 99.56 64.24 -78.69 -16.72 51.35 3.44 45.21 29.60 8.01 13.80 42.17 3.25 0.04 2.20 0.94 9 E C C 133.59 2.36 10.29 13.96 106.67 71.24 -88.29 52.57 69.77 2.78 27.44 37.24 16.44 15.45 25.25 3.08 0.04 1.48 1.02 10 E C C 123.35 3.79 9.65 15.31 115.61 -126.10 -89.25 133.33 93.98 1.41 4.61 60.31 30.83 2.79 3.96 0.81 0.00 0.60 0.69 11 P C C 81.11 5.47 8.82 16.20 113.21 -107.60 -68.15 146.21 88.90 1.15 9.95 77.64 4.92 6.56 7.00 2.69 0.00 0.64 0.55 12 T C C 97.45 2.86 9.95 14.51 112.66 -139.47 -92.39 132.10 82.95 2.36 14.69 55.50 15.17 12.16 10.13 4.60 0.00 1.09 1.35 13 N C C 109.70 3.08 9.19 13.86 110.21 -142.80 -92.60 118.82 75.88 2.69 21.43 45.44 18.63 12.07 14.80 6.45 0.01 1.26 1.33 14 E C C 131.64 3.08 8.87 13.61 103.84 -158.27 -81.76 13.81 57.85 2.37 39.78 33.85 11.96 12.51 26.04 13.35 0.03 1.24 1.03 15 E C C 139.97 2.15 9.61 13.07 102.47 84.10 -82.61 6.65 55.96 2.69 41.35 31.26 10.91 14.43 26.57 14.22 0.04 1.48 1.09 16 T C C 94.05 3.24 9.08 13.91 106.16 68.58 -89.10 47.21 59.07 2.86 38.07 34.22 12.17 13.44 24.90 12.50 0.04 1.53 1.21 17 E C C 119.56 4.07 9.52 15.31 110.26 115.70 -89.47 119.07 68.19 2.36 29.45 42.35 16.99 9.34 22.72 6.40 0.02 1.09 1.09 18 Q C C 113.20 3.39 10.41 15.41 113.61 -134.18 -89.21 130.11 78.91 0.94 20.15 58.98 15.45 3.76 18.94 2.06 0.00 0.38 0.42 19 P C C 85.87 5.15 9.46 16.35 105.97 -117.06 -67.46 130.15 53.28 1.00 45.72 39.66 5.06 8.67 36.82 8.83 0.00 0.58 0.37 20 E H H 134.97 2.55 11.17 14.88 104.93 -111.50 -82.11 37.39 43.08 2.42 54.50 26.42 6.86 10.55 42.87 11.00 0.03 1.61 0.67 21 K H H 134.18 3.22 11.31 15.87 105.20 57.18 -87.68 59.34 37.95 5.32 56.73 25.12 6.20 7.83 44.90 10.85 0.04 3.99 1.07 22 I H H 92.22 6.64 9.14 17.15 110.93 70.21 -90.99 117.99 38.13 6.78 55.09 28.05 5.79 5.75 47.58 6.34 0.03 5.19 1.26 23 E H H 120.43 3.46 12.59 17.24 108.54 -139.57 -84.92 119.05 43.95 6.05 50.01 30.56 6.45 7.49 45.48 4.31 0.03 4.54 1.14 24 S C H 62.46 4.05 12.27 17.43 107.45 -123.54 -83.84 127.75 50.29 3.66 46.05 33.77 7.17 9.46 42.31 3.95 0.02 2.44 0.88 25 A H H 63.72 5.30 10.80 17.49 96.56 -9.32 -68.10 -32.41 28.50 1.83 69.67 17.47 6.10 7.27 61.63 5.83 0.04 1.18 0.49 26 E H H 121.82 2.94 12.67 16.54 94.61 58.32 -68.13 -35.93 22.87 2.27 74.86 12.81 4.41 7.59 65.29 7.61 0.07 1.73 0.49 27 D H H 91.26 2.83 12.83 16.39 94.58 53.83 -71.52 -31.90 23.45 3.30 73.25 14.20 4.15 7.12 63.38 7.87 0.06 2.63 0.60 28 V H H 82.24 4.85 11.21 17.48 96.19 53.88 -73.85 -33.20 23.76 4.27 71.98 14.01 4.49 7.45 62.89 6.91 0.08 3.36 0.80 29 V H H 91.41 4.35 11.38 16.93 97.90 50.86 -79.56 -26.41 33.24 4.25 62.52 18.08 6.30 10.97 56.09 4.47 0.10 2.97 1.02 30 T C H 90.24 2.77 12.33 15.98 100.74 53.77 -88.64 -10.41 48.98 2.75 48.27 22.47 11.08 16.63 43.91 3.41 0.08 1.55 0.88 31 E C C 111.17 3.85 11.29 16.54 111.13 75.85 -84.00 128.35 72.86 1.37 25.77 40.23 26.23 5.89 24.49 2.05 0.01 0.58 0.52 32 P C C 83.38 4.13 10.78 16.48 103.43 -106.08 -69.44 111.70 61.66 1.17 37.17 46.03 5.87 8.89 33.45 4.67 0.00 0.67 0.41 33 E H H 123.21 4.03 10.59 16.10 101.28 54.60 -75.80 -12.67 46.96 2.32 50.71 30.64 7.44 9.65 42.74 7.35 0.02 1.41 0.76 34 K H H 141.40 2.35 11.79 15.14 100.67 64.72 -76.21 -15.45 40.17 3.64 56.19 24.59 7.93 9.02 47.38 7.63 0.04 2.53 0.88 35 E H H 119.59 3.21 12.08 16.43 102.52 59.00 -80.00 -8.25 39.20 5.42 55.38 26.23 6.76 7.66 47.79 6.38 0.04 3.97 1.15 36 V H H 73.08 6.69 9.60 17.74 104.93 68.36 -82.54 8.88 44.29 5.04 50.66 31.20 7.46 6.65 46.27 3.83 0.03 3.40 1.17 37 T C H 78.63 3.26 12.15 16.47 105.50 64.93 -80.23 -16.06 50.58 3.01 46.41 36.24 7.21 7.02 43.84 3.04 0.01 1.91 0.73 38 E H H 130.71 2.24 12.30 15.21 96.32 41.10 -66.95 -35.80 32.41 1.63 65.96 16.03 7.90 10.73 58.28 5.53 0.06 0.95 0.51 39 E H H 132.90 1.77 12.92 14.88 96.03 51.12 -71.25 -33.32 30.45 1.12 68.42 11.52 6.44 13.83 61.52 5.56 0.08 0.67 0.38 40 K H H 113.99 4.17 12.56 17.87 97.79 48.63 -79.33 -23.60 34.96 1.74 63.30 17.20 7.07 12.63 56.98 4.47 0.06 0.97 0.62 41 S H H 51.01 5.21 12.05 18.96 98.57 64.04 -70.96 -35.67 39.35 1.70 58.95 29.25 5.11 5.73 56.35 2.17 0.01 0.83 0.55 42 E H H 114.92 2.35 15.50 17.84 94.24 53.97 -66.88 -38.89 9.93 0.26 89.81 5.95 1.64 2.79 88.42 0.99 0.01 0.14 0.07 43 A H H 53.27 3.65 15.21 19.83 93.05 51.79 -65.38 -41.18 3.90 0.12 95.98 2.03 0.57 1.49 95.16 0.66 0.00 0.07 0.03 44 F H H 93.48 5.30 14.85 21.40 92.71 50.63 -65.78 -40.90 1.72 0.07 98.21 0.89 0.24 0.70 97.67 0.44 0.00 0.04 0.01 45 V H H 74.79 3.19 16.24 19.90 92.33 50.56 -65.03 -41.78 0.86 0.03 99.11 0.39 0.11 0.36 98.92 0.19 0.00 0.02 0.00 46 Q H H 98.23 2.37 17.06 19.13 92.26 50.13 -65.33 -41.17 0.79 0.02 99.19 0.29 0.09 0.39 99.08 0.13 0.00 0.01 0.00 47 L H H 76.47 4.66 15.43 21.14 92.22 50.48 -65.17 -41.21 0.75 0.01 99.23 0.24 0.08 0.40 99.16 0.10 0.00 0.01 0.00 48 E H H 97.18 4.19 16.28 21.16 91.98 51.28 -64.81 -40.59 0.74 0.01 99.25 0.19 0.07 0.43 99.21 0.08 0.00 0.00 0.00 49 Q H H 106.56 2.00 17.32 18.71 92.14 50.54 -65.61 -40.31 1.18 0.01 98.81 0.28 0.12 0.74 98.75 0.10 0.00 0.01 0.00 50 R H H 124.68 3.12 16.85 20.21 92.40 50.05 -65.14 -41.50 1.31 0.02 98.67 0.40 0.14 0.76 98.57 0.10 0.00 0.01 0.00 51 I H H 75.72 5.32 15.68 21.93 92.05 49.43 -64.69 -42.09 0.91 0.01 99.08 0.29 0.11 0.49 99.03 0.07 0.00 0.00 0.00 52 S H H 55.08 2.84 17.32 20.21 91.75 50.94 -64.32 -41.22 1.03 0.01 98.96 0.29 0.11 0.59 98.93 0.07 0.00 0.00 0.00 53 S H H 55.27 2.50 17.29 19.61 91.68 50.72 -64.52 -41.07 1.08 0.01 98.91 0.26 0.12 0.66 98.87 0.08 0.00 0.01 0.00 54 L H H 73.62 4.86 15.46 21.36 92.04 50.22 -65.10 -40.84 0.69 0.01 99.30 0.18 0.09 0.40 99.24 0.08 0.00 0.01 0.00 55 E H H 95.74 3.95 15.88 20.58 91.85 51.39 -64.34 -40.88 0.60 0.01 99.38 0.15 0.08 0.36 99.31 0.09 0.00 0.01 0.00 56 Q H H 106.57 1.74 16.65 17.56 92.13 50.35 -64.85 -40.88 0.94 0.01 99.05 0.18 0.10 0.62 98.93 0.15 0.00 0.01 0.00 57 R H H 128.50 2.65 15.30 18.19 92.31 50.09 -65.71 -40.52 1.65 0.02 98.33 0.30 0.16 1.14 98.08 0.29 0.00 0.01 0.00 58 L H H 81.14 4.52 13.17 18.85 92.19 50.34 -66.18 -39.23 2.71 0.04 97.25 0.52 0.29 1.88 96.69 0.57 0.01 0.02 0.01 59 N H H 95.02 2.12 14.18 16.43 92.22 52.67 -66.24 -36.49 7.37 0.06 92.57 1.08 0.69 5.50 91.22 1.42 0.02 0.03 0.03 60 N H H 99.00 1.89 13.15 15.24 93.94 53.48 -70.18 -31.88 16.88 0.12 83.00 2.64 1.67 12.43 80.60 2.51 0.04 0.06 0.06 61 L H H 100.95 3.62 10.62 15.65 95.05 56.95 -71.15 -29.54 23.82 0.40 75.78 7.42 3.90 13.54 70.60 4.08 0.07 0.19 0.21 62 E H H 137.35 2.10 10.54 13.65 96.52 60.77 -75.55 -16.16 40.58 0.94 58.48 16.21 6.83 19.10 53.82 3.09 0.06 0.40 0.49 63 S C C 89.28 1.32 10.15 11.99 102.38 62.77 -85.22 4.77 66.54 1.31 32.15 29.08 13.66 24.24 28.45 3.31 0.03 0.50 0.72 64 Q C C 123.77 2.58 8.40 12.84 115.41 101.23 -90.65 134.37 95.61 1.20 3.19 58.27 33.30 4.10 2.36 0.80 0.00 0.46 0.71 65 P C C 108.04 1.97 9.50 12.98 113.21 -106.32 -69.41 145.65 96.16 1.68 2.16 83.56 9.20 3.34 1.21 0.84 0.00 0.81 1.04 66 Q C C 130.49 2.81 8.38 13.29 115.97 -119.75 -91.75 135.55 96.40 2.42 1.19 84.55 10.53 1.17 0.67 0.48 0.00 1.09 1.51 67 P C C 96.47 3.35 8.33 13.72 112.29 -106.22 -66.70 147.13 91.26 2.02 6.71 74.27 7.44 9.74 2.61 3.77 0.00 1.18 0.99 68 T C C 107.35 1.99 7.98 11.64 112.97 -139.06 -91.39 137.73 85.41 4.30 10.30 58.01 14.04 13.42 4.01 6.06 0.00 2.31 2.14 69 Q C C 141.38 1.65 8.27 11.34 111.23 -135.69 -88.98 129.54 78.88 6.36 14.76 47.68 19.90 11.90 5.79 8.56 0.02 3.67 2.47 70 E C C 150.96 1.62 8.34 11.43 112.01 -141.12 -89.10 126.46 78.47 7.34 14.18 53.43 13.91 11.17 5.60 8.55 0.01 4.68 2.63 71 S C C 76.47 3.90 7.21 12.93 115.35 -144.76 -95.60 138.19 83.11 6.64 10.25 58.98 13.36 10.74 3.91 6.26 0.00 4.13 2.62 72 S C C 93.45 1.45 9.49 11.88 105.98 -151.73 -90.04 63.55 88.15 4.76 7.08 51.80 27.35 9.52 2.72 3.99 0.00 2.49 2.12 73 D C C 100.55 3.01 8.97 13.82 114.09 88.48 -95.09 122.24 93.95 2.61 3.45 61.26 29.89 3.02 1.96 1.34 0.00 1.20 1.33 74 P C C 84.98 4.96 9.03 15.87 110.50 -125.54 -71.03 145.52 84.44 1.71 13.85 54.25 10.69 19.85 7.30 6.12 0.00 0.93 0.85 75 N C C 100.13 3.38 10.25 15.18 111.62 -137.58 -92.18 124.52 80.20 2.95 16.85 52.73 9.66 17.84 9.86 6.76 0.01 1.55 1.59 76 F C C 125.19 5.24 8.92 15.76 98.38 -154.99 -74.70 -23.50 50.14 4.09 45.77 29.61 9.67 11.43 26.18 19.13 0.06 2.25 1.68 77 E H H 133.94 2.23 10.35 13.84 96.09 70.01 -72.18 -21.92 43.57 4.01 52.42 19.96 8.78 15.56 29.31 22.43 0.13 2.43 1.40 78 D H H 100.26 2.98 9.91 14.29 98.98 58.89 -84.38 -3.60 44.80 3.39 51.81 21.54 8.51 15.41 28.49 22.68 0.10 1.96 1.31 79 K C C 136.30 3.34 9.45 14.34 102.28 73.94 -83.92 6.76 57.18 3.73 39.09 26.54 13.11 18.76 24.33 13.50 0.15 1.97 1.64 80 T C C 96.70 2.80 9.87 14.22 107.94 81.81 -94.20 84.48 67.89 6.27 25.84 31.32 17.86 20.17 15.94 8.58 0.20 3.16 2.77 81 V C C 95.28 3.91 8.98 14.86 116.78 107.80 -95.22 130.90 93.76 3.67 2.57 50.21 42.35 1.79 1.90 0.63 0.00 1.66 1.45 82 P C C 86.09 4.76 9.11 15.85 112.92 -110.05 -66.61 145.27 88.44 2.91 8.65 79.10 5.08 4.64 4.86 3.35 0.00 1.88 1.09 83 T C C 106.37 2.39 9.45 13.43 109.21 -146.82 -93.78 100.31 75.36 7.42 17.22 47.14 16.65 12.06 8.24 8.76 0.03 4.33 2.80 84 E C C 141.53 2.12 10.07 13.55 115.87 -123.91 -98.04 133.89 68.64 13.47 17.89 43.99 13.96 11.06 9.20 8.73 0.09 8.99 3.98 85 V C C 97.25 4.95 7.73 14.53 116.59 -154.96 -101.73 131.88 72.34 11.39 16.27 51.01 13.20 7.80 10.36 6.40 0.04 7.86 3.33 86 D C C 94.69 3.63 9.35 14.68 111.01 -150.30 -94.43 113.55 81.89 5.48 12.64 61.98 10.66 8.81 8.88 4.17 0.00 3.68 1.82 87 D C C 111.21 2.69 9.51 13.83 100.26 -162.92 -81.70 1.31 73.99 2.79 23.22 32.96 16.82 25.31 14.12 8.06 0.05 1.43 1.25 88 N C C 110.97 2.71 9.37 13.48 101.35 74.50 -85.74 13.64 71.70 2.46 25.83 32.93 14.93 25.06 15.80 8.82 0.05 1.19 1.22 89 Q C C 116.69 3.96 9.11 14.74 102.38 101.34 -82.77 13.25 62.91 4.10 32.99 37.30 13.07 13.32 21.88 10.43 0.05 2.25 1.71 90 E C C 135.83 2.60 10.43 14.38 105.07 93.73 -87.10 39.84 62.16 5.47 32.37 37.92 11.97 13.05 23.26 8.51 0.05 3.21 2.03 91 T C C 82.20 5.19 9.65 16.44 112.74 99.14 -97.90 125.44 63.13 5.56 31.31 37.08 13.49 13.47 22.57 8.10 0.05 3.22 2.03 92 D C C 105.01 3.52 11.79 16.81 104.56 -155.19 -87.84 36.50 68.53 3.57 27.90 32.23 16.34 21.01 20.43 6.63 0.05 1.89 1.40 93 G C C 44.06 5.68 12.86 19.68 110.31 -122.66 -103.54 -6.25 70.82 3.86 25.32 33.62 18.02 20.45 18.01 6.29 0.06 2.01 1.53 94 I C C 90.42 8.22 10.54 19.81 111.70 75.16 -92.73 119.54 61.80 7.86 30.34 41.41 11.97 9.06 24.21 5.84 0.06 4.70 2.76 95 E C C 113.50 5.27 13.23 19.78 110.91 -158.74 -92.79 106.52 64.17 7.21 28.62 42.83 12.76 8.82 24.12 4.76 0.04 4.48 2.19 96 S C C 54.65 4.99 13.91 20.09 118.46 -110.67 -93.31 152.22 68.61 4.38 27.01 48.09 13.26 6.98 24.17 3.62 0.01 2.34 1.54 97 S H H 62.77 6.90 11.86 20.02 95.77 -119.89 -65.27 -34.56 19.24 0.44 80.32 10.85 6.18 3.79 77.41 1.43 0.01 0.18 0.16 98 E H H 125.76 1.65 14.77 16.15 93.08 55.15 -65.59 -39.93 4.91 0.14 94.95 2.07 0.96 2.23 93.42 1.18 0.01 0.08 0.04 99 E H H 92.25 3.57 14.54 19.08 92.56 51.49 -66.56 -40.01 2.78 0.21 97.01 1.39 0.43 1.25 95.51 1.20 0.01 0.17 0.04 100 I H H 51.63 8.57 11.37 21.69 92.38 51.22 -65.12 -41.74 1.55 0.17 98.28 0.74 0.20 0.68 97.40 0.82 0.00 0.14 0.02 101 K H H 100.87 4.07 13.17 18.63 92.30 51.88 -65.08 -40.43 1.81 0.21 97.98 0.74 0.19 0.89 97.04 0.92 0.01 0.18 0.03 102 Q H H 119.37 1.38 13.57 14.63 92.46 50.60 -66.17 -38.90 3.31 0.25 96.43 0.89 0.30 2.07 95.09 1.39 0.01 0.20 0.05 103 M H H 111.35 3.41 11.47 16.07 93.22 51.02 -68.36 -33.75 8.22 0.10 91.68 1.12 0.69 6.25 90.32 1.49 0.03 0.05 0.05 104 L H H 94.01 5.07 9.48 16.12 95.85 48.25 -83.94 -7.77 38.89 0.28 60.84 3.33 2.90 31.97 59.63 1.85 0.06 0.10 0.17 105 N C T 130.23 1.43 11.73 13.94 97.28 -120.41 51.18 37.53 78.73 0.28 20.99 18.05 1.87 56.18 22.34 1.29 0.00 0.11 0.16 106 L C C 97.24 5.73 9.79 17.20 104.82 150.60 -84.27 47.86 99.82 0.09 0.08 99.50 0.22 0.17 0.04 0.01 0.00 0.05 0.02