# 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 120.76 4.71 11.40 17.68 117.71 -158.32 -95.49 138.30 99.83 0.15 0.02 99.76 0.11 0.03 0.01 0.00 0.00 0.07 0.02 1 A C C 81.96 3.04 9.43 14.22 115.26 -122.83 -82.62 143.40 87.56 5.83 6.61 81.77 1.55 4.89 3.26 2.42 0.00 3.34 2.77 2 A C C 84.64 2.88 8.22 12.89 112.29 -116.23 -82.92 135.09 81.27 6.14 12.58 52.61 16.17 12.57 5.19 7.30 0.01 3.67 2.48 3 S C C 86.35 2.42 9.06 13.06 112.73 -118.33 -86.35 132.83 77.36 5.77 16.87 51.61 13.37 12.28 6.61 10.40 0.01 3.47 2.24 4 S C C 82.50 3.31 8.99 14.01 110.27 -146.73 -92.26 116.38 71.19 6.04 22.77 41.78 15.12 14.69 9.41 13.15 0.03 3.39 2.44 5 S C C 82.61 3.23 9.74 14.52 111.82 -145.45 -92.94 130.00 69.29 5.33 25.38 36.41 16.03 17.65 11.02 13.75 0.05 2.89 2.21 6 S C C 80.53 3.87 9.66 15.02 109.93 -148.03 -92.42 109.49 67.95 6.10 25.95 37.30 16.55 14.93 12.06 13.30 0.05 3.30 2.52 7 S C C 84.61 3.07 10.29 14.89 109.13 84.88 -91.42 92.43 68.92 6.79 24.29 38.29 15.83 15.60 12.02 11.74 0.06 3.76 2.70 8 S C C 79.48 3.35 10.20 15.22 112.10 95.10 -96.05 125.92 72.64 6.61 20.74 39.01 17.28 17.21 9.61 10.51 0.05 3.53 2.81 9 A C C 83.34 3.50 9.72 14.86 110.03 -124.08 -83.94 125.25 78.32 5.59 16.08 34.22 18.45 26.95 6.26 8.80 0.04 2.96 2.32 10 G C C 53.55 3.67 10.70 15.93 113.22 30.25 -100.40 152.21 85.69 4.74 9.58 34.49 21.26 30.95 2.67 6.27 0.01 2.62 1.72 11 G C C 51.51 3.80 10.86 16.33 116.89 -131.23 -118.69 161.75 85.03 8.58 6.39 45.86 21.54 18.18 1.43 5.02 0.01 5.45 2.50 12 V C C 107.73 3.89 9.73 15.55 117.46 -118.94 -99.61 137.09 76.51 17.89 5.60 49.74 16.55 9.91 1.79 4.12 0.02 11.11 6.76 13 S C C 82.15 3.32 10.18 15.35 116.32 -150.79 -99.70 136.18 78.65 14.87 6.48 43.55 18.54 17.41 1.61 4.91 0.02 10.14 3.81 14 G C C 55.16 3.48 10.74 15.74 109.69 -129.65 -102.11 95.00 81.34 10.42 8.25 34.97 25.87 21.84 1.65 6.33 0.02 6.72 2.59 15 S C C 82.38 3.03 10.40 15.13 110.69 -97.93 -92.47 124.19 78.46 11.67 9.87 40.49 21.80 17.32 2.29 7.37 0.03 7.75 2.95 16 S C C 81.92 3.29 10.42 15.44 112.74 -142.14 -97.24 121.89 78.22 13.09 8.69 43.81 19.74 15.57 2.27 6.37 0.02 8.78 3.43 17 V C C 99.04 4.92 9.36 16.04 112.03 -159.64 -97.77 117.09 77.04 16.68 6.28 48.03 20.34 8.98 2.39 4.01 0.03 10.38 5.85 18 T C C 99.88 2.95 10.99 15.57 111.10 -148.02 -88.43 125.57 81.07 12.26 6.67 45.51 17.31 19.15 1.88 4.64 0.02 7.98 3.50 19 G C C 53.34 3.59 11.14 16.18 109.55 -12.99 71.93 5.34 85.55 7.27 7.18 35.62 23.64 27.11 1.25 5.87 0.01 4.08 2.44 20 S C C 81.68 3.27 11.50 16.24 107.13 58.07 -84.80 73.26 87.73 5.39 6.88 34.41 22.83 31.07 1.04 5.86 0.00 3.01 1.78 21 G C C 53.31 3.31 12.75 17.41 108.33 -102.97 90.61 8.07 88.15 7.85 4.00 35.22 28.79 24.96 0.62 3.48 0.00 5.12 1.81 22 F C C 95.69 8.99 9.49 19.69 119.06 116.56 -97.66 140.39 77.44 21.31 1.25 56.17 19.25 2.10 0.52 0.86 0.00 11.59 9.51 23 S C C 55.50 4.02 15.07 20.08 120.91 -141.92 -92.29 153.78 82.29 16.71 1.00 76.14 4.82 0.77 0.54 0.49 0.00 10.00 7.24 24 V H G 91.47 8.07 10.37 19.65 93.17 -114.34 -61.70 -29.46 21.61 0.90 77.49 5.56 3.57 13.02 14.47 62.52 0.01 0.65 0.20 25 S H G 89.82 1.36 13.43 14.97 92.25 63.58 -71.48 -18.35 21.05 0.70 78.26 3.75 3.02 13.88 14.90 63.77 0.02 0.47 0.19 26 D H G 96.57 3.74 11.96 17.12 96.07 59.84 -86.49 -4.91 21.54 1.16 77.31 7.10 4.43 10.77 14.42 62.20 0.03 0.73 0.32 27 L C C 78.37 9.86 8.02 18.39 108.37 83.91 -89.73 98.53 63.27 5.20 31.54 30.90 22.55 11.17 15.16 14.61 0.12 1.99 3.50 28 A C C 73.27 3.25 11.23 16.11 116.23 -117.35 -86.76 138.30 93.38 2.20 4.42 55.32 35.09 2.99 2.97 1.32 0.00 0.78 1.53 29 P C C 99.89 2.91 11.12 15.68 114.38 -94.48 -70.86 144.10 91.06 0.90 8.04 70.68 14.90 5.44 5.39 2.60 0.00 0.37 0.62 30 P C C 95.42 4.49 9.03 15.33 109.31 -105.79 -69.07 141.46 70.54 1.48 27.99 49.87 8.45 11.87 16.21 12.00 0.00 0.76 0.83 31 R C C 167.89 2.70 9.67 13.94 110.10 -134.42 -86.92 124.40 58.99 3.02 37.99 34.21 10.76 13.92 21.31 16.68 0.03 1.62 1.47 32 K C C 139.38 3.10 10.21 14.94 116.53 -119.60 -94.05 136.19 49.49 4.28 46.23 29.98 9.29 10.39 24.39 21.83 0.03 2.64 1.45 33 A H G 69.70 4.62 10.01 16.32 115.10 -115.40 -83.59 139.48 42.05 4.68 53.27 27.04 6.84 8.70 23.97 29.07 0.02 3.25 1.11 34 L H G 109.80 4.76 9.90 16.20 108.95 -134.30 -85.48 127.83 44.47 5.41 50.11 20.13 9.52 15.75 20.97 28.50 0.12 3.43 1.59 35 F C C 132.82 5.07 9.49 16.22 115.42 -116.41 -100.24 123.31 53.40 8.43 38.17 24.72 11.78 18.48 15.02 21.85 0.21 4.95 2.99 36 T C C 95.87 3.36 11.36 16.31 117.87 -166.59 -109.84 134.78 76.45 9.08 14.48 47.02 18.54 10.84 7.82 6.54 0.03 4.82 4.39 37 Y C C 153.92 3.90 10.01 15.79 116.35 -123.03 -106.90 127.38 95.54 3.90 0.55 63.84 31.29 0.86 0.30 0.23 0.00 2.00 1.49 38 P C C 83.60 6.29 8.64 16.69 112.61 -114.04 -67.09 145.77 95.39 1.87 2.75 78.91 10.19 6.41 1.04 1.53 0.00 1.08 0.85 39 K C C 164.15 1.40 10.78 12.94 108.68 -136.16 -87.88 113.65 92.33 2.22 5.44 64.63 16.12 11.60 2.28 2.98 0.00 1.02 1.37 40 G C C 50.20 2.94 10.18 14.54 116.56 -71.24 89.40 175.20 86.97 2.16 10.86 51.88 21.16 14.03 4.70 5.94 0.00 0.96 1.31 41 A C C 83.96 3.11 9.58 13.95 110.22 -71.90 -84.15 121.42 75.27 1.93 22.80 43.57 16.42 15.46 10.49 12.01 0.00 0.89 1.15 42 G C C 50.00 3.35 10.60 15.36 113.65 37.73 91.88 -163.50 65.89 1.83 32.27 34.56 15.12 16.82 12.46 19.14 0.01 0.87 1.01 43 E C C 136.14 2.73 10.71 14.76 103.67 -43.03 -82.29 8.31 59.24 2.56 38.20 37.33 10.37 11.53 15.45 22.86 0.01 1.40 1.05 44 M C C 118.79 4.15 9.99 15.83 106.68 68.18 -85.35 49.25 60.30 3.63 36.07 40.09 9.92 10.26 15.78 20.43 0.01 2.06 1.45 45 L C C 100.37 5.43 9.44 16.49 107.96 86.88 -88.68 93.68 72.20 2.68 25.12 53.73 8.87 9.45 14.00 11.21 0.00 1.43 1.31 46 E C C 128.42 3.32 10.22 15.17 107.73 83.71 -88.54 67.26 82.33 1.66 16.01 51.75 18.31 12.06 10.55 5.60 0.00 0.75 0.98 47 D C C 101.93 2.45 10.73 14.40 109.78 64.39 -92.66 107.88 88.40 0.95 10.64 53.52 26.50 7.97 8.81 2.21 0.00 0.32 0.66 48 G H H 50.51 2.28 11.86 14.93 99.49 -51.42 -24.65 -45.18 27.26 0.22 72.52 8.89 8.57 11.25 68.23 2.82 0.03 0.08 0.13 49 S H H 77.15 1.50 12.51 13.92 95.09 48.21 -67.99 -35.59 14.51 0.16 85.34 4.09 2.60 8.27 82.17 2.69 0.03 0.07 0.07 50 E H H 95.38 4.47 12.34 18.18 93.58 53.52 -67.48 -36.98 5.81 0.15 94.04 2.94 0.92 2.44 91.45 2.10 0.01 0.09 0.04 51 R H H 113.63 6.10 12.96 20.48 92.54 53.90 -64.55 -40.98 2.05 0.04 97.91 1.07 0.29 0.81 97.04 0.76 0.00 0.02 0.01 52 F H H 128.87 1.86 16.34 17.72 92.37 50.72 -65.12 -40.80 1.35 0.03 98.62 0.54 0.16 0.64 98.15 0.49 0.00 0.02 0.01 53 L H H 95.51 2.21 16.99 18.82 92.23 50.28 -65.33 -40.92 1.65 0.03 98.32 0.60 0.18 0.82 97.93 0.44 0.00 0.01 0.01 54 C H H 42.68 7.85 14.16 23.72 92.21 50.07 -65.62 -40.73 2.18 0.03 97.79 0.84 0.24 1.08 97.46 0.35 0.00 0.01 0.01 55 E H H 93.42 5.26 16.74 23.05 91.90 51.92 -63.53 -41.05 1.24 0.01 98.75 0.34 0.12 0.67 98.63 0.23 0.00 0.00 0.00 56 S H H 59.71 2.29 18.10 19.78 92.02 50.72 -64.70 -41.48 2.09 0.02 97.90 0.43 0.17 1.34 97.72 0.32 0.00 0.01 0.01 57 V H H 73.20 3.67 17.51 21.68 92.09 49.44 -65.09 -41.95 1.87 0.01 98.12 0.28 0.14 1.27 98.09 0.21 0.00 0.00 0.00 58 F H H 78.93 7.20 15.22 23.82 92.33 49.52 -64.58 -41.74 0.80 0.00 99.19 0.21 0.07 0.39 99.23 0.10 0.00 0.00 0.00 59 S H H 58.22 3.54 16.80 21.04 91.74 51.74 -63.88 -40.87 0.38 0.00 99.62 0.07 0.02 0.21 99.62 0.08 0.00 0.00 0.00 60 Y H H 140.23 1.84 17.53 18.64 92.27 49.89 -65.53 -41.14 0.25 0.00 99.75 0.03 0.01 0.16 99.74 0.06 0.00 0.00 0.00 61 Q H H 95.15 3.59 17.19 21.20 92.31 49.74 -65.38 -41.35 0.42 0.00 99.58 0.05 0.03 0.27 99.58 0.07 0.00 0.00 0.00 62 V H H 65.52 5.01 15.85 22.11 92.34 48.81 -65.10 -41.47 0.84 0.00 99.15 0.15 0.06 0.51 99.17 0.10 0.00 0.00 0.00 63 A H H 52.87 3.06 16.45 20.09 91.80 51.18 -63.70 -41.26 1.07 0.00 98.93 0.26 0.09 0.58 98.88 0.19 0.00 0.00 0.00 64 S H H 56.42 2.53 17.13 19.59 92.09 50.64 -64.94 -40.77 1.45 0.00 98.55 0.34 0.12 0.84 98.38 0.31 0.00 0.00 0.00 65 T H H 65.83 3.50 16.03 20.23 92.31 50.04 -65.26 -41.07 1.47 0.01 98.52 0.35 0.13 0.85 98.28 0.37 0.00 0.00 0.00 66 L H H 84.75 3.37 15.64 19.75 92.26 50.01 -64.68 -40.90 1.33 0.01 98.66 0.35 0.13 0.73 98.37 0.41 0.00 0.00 0.00 67 K H H 119.96 1.96 16.28 17.93 91.90 50.49 -64.81 -40.81 2.34 0.02 97.64 0.61 0.23 1.34 97.26 0.54 0.00 0.01 0.00 68 Q H H 101.80 2.07 15.75 17.66 92.12 50.57 -65.10 -40.64 4.72 0.03 95.25 0.94 0.44 3.02 94.80 0.78 0.00 0.01 0.01 69 V H H 78.21 2.71 14.89 18.07 92.52 50.31 -64.90 -41.04 8.68 0.07 91.25 2.20 1.09 4.96 90.69 0.99 0.01 0.03 0.03 70 K H H 118.69 2.22 15.33 17.59 92.53 50.23 -65.62 -39.58 18.04 0.18 81.78 6.75 2.25 8.45 81.36 1.02 0.01 0.07 0.09 71 H H H 111.57 2.54 14.85 17.74 92.37 52.11 -65.43 -39.78 17.06 0.11 82.83 6.89 2.05 7.44 82.64 0.89 0.00 0.04 0.06 72 D H H 88.55 1.80 15.70 17.08 92.25 50.61 -65.35 -40.19 6.24 0.03 93.73 2.75 0.82 2.43 93.34 0.63 0.00 0.01 0.01 73 Q H H 104.62 1.95 15.93 17.52 92.38 50.05 -65.34 -40.30 2.66 0.01 97.33 0.96 0.32 1.25 96.89 0.56 0.00 0.01 0.00 74 Q H H 87.62 3.57 15.07 19.40 92.16 50.37 -65.02 -41.19 1.77 0.02 98.21 0.64 0.21 0.86 97.78 0.49 0.00 0.01 0.00 75 V H H 74.95 2.72 15.51 18.71 91.83 50.28 -64.16 -41.73 0.98 0.01 99.01 0.35 0.12 0.45 98.84 0.24 0.00 0.00 0.00 76 A H H 55.80 1.95 16.33 17.90 91.60 50.71 -63.60 -41.18 0.79 0.00 99.20 0.25 0.08 0.39 99.12 0.16 0.00 0.00 0.00 77 R H H 122.99 2.58 15.95 18.63 91.94 50.03 -64.77 -40.98 0.68 0.00 99.32 0.17 0.07 0.37 99.25 0.14 0.00 0.00 0.00 78 M H H 95.01 3.77 14.85 19.37 91.97 50.43 -64.87 -40.47 0.49 0.00 99.51 0.12 0.05 0.26 99.46 0.11 0.00 0.00 0.00 79 E H H 118.37 1.70 16.33 17.51 91.73 50.45 -64.60 -40.82 0.39 0.00 99.61 0.09 0.04 0.22 99.59 0.08 0.00 0.00 0.00 80 K H H 126.89 1.55 16.40 17.14 91.97 49.69 -64.77 -40.77 0.54 0.00 99.46 0.10 0.04 0.33 99.42 0.10 0.00 0.00 0.00 81 L H H 81.83 3.68 14.91 19.32 91.93 49.32 -65.01 -40.84 0.66 0.00 99.34 0.11 0.05 0.40 99.27 0.15 0.00 0.00 0.00 82 A H H 53.10 3.23 14.73 18.92 91.82 51.72 -63.33 -40.55 0.84 0.00 99.16 0.12 0.05 0.55 99.07 0.21 0.00 0.00 0.00 83 G H H 37.50 2.00 15.81 17.62 92.23 51.06 -64.18 -40.60 3.12 0.00 96.88 0.29 0.17 2.44 96.55 0.54 0.00 0.00 0.00 84 L H H 90.25 2.58 14.59 17.53 92.54 50.71 -65.66 -40.07 3.46 0.01 96.53 0.55 0.29 2.36 95.65 1.13 0.00 0.01 0.00 85 V H H 78.02 3.73 12.52 17.38 93.17 51.60 -65.99 -39.42 4.29 0.04 95.67 1.30 0.54 2.37 93.46 2.29 0.00 0.02 0.01 86 E H H 128.41 1.56 13.83 15.21 93.61 52.38 -67.17 -36.60 9.85 0.08 90.07 2.03 0.97 6.69 87.34 2.89 0.02 0.04 0.03 87 E H H 124.13 1.68 12.56 14.40 94.94 52.59 -71.41 -31.68 19.61 0.15 80.24 3.99 2.15 13.46 76.84 3.38 0.03 0.07 0.07 88 L H H 96.38 3.66 9.52 14.77 97.10 60.68 -72.60 -28.94 29.47 0.60 69.93 15.73 5.30 10.02 64.88 3.48 0.03 0.27 0.29 89 E H H 133.82 2.02 10.61 13.54 99.35 63.68 -77.38 -20.13 39.18 0.88 59.94 21.62 5.52 13.30 54.70 3.99 0.02 0.39 0.44 90 A C H 77.40 2.20 9.76 13.16 102.16 70.34 -80.50 -0.79 51.66 0.62 47.72 13.45 10.58 28.35 41.60 5.32 0.06 0.26 0.37 91 D C T 100.35 3.06 8.99 13.56 104.57 65.38 -90.08 36.06 64.79 0.85 34.35 23.89 12.43 29.55 26.58 6.63 0.03 0.34 0.55 92 E C C 139.50 2.13 9.89 13.25 104.57 126.28 -82.70 51.20 71.71 1.39 26.90 29.28 13.81 29.16 13.62 12.61 0.02 0.62 0.88 93 W C C 164.05 4.39 8.70 14.84 106.14 96.47 -88.13 84.01 74.58 2.28 23.14 36.19 10.86 28.45 8.44 13.73 0.01 1.20 1.13 94 R C C 154.58 3.03 10.39 15.12 110.58 106.41 -91.37 125.23 77.08 5.18 17.74 43.39 17.22 16.88 6.35 10.88 0.02 2.58 2.68 95 F C C 125.35 5.35 8.82 15.97 115.45 -133.23 -92.08 132.34 87.72 4.79 7.49 58.19 19.91 9.51 3.31 4.02 0.00 2.23 2.82 96 K C C 118.59 3.83 12.04 17.47 117.85 -124.76 -87.33 147.05 96.86 2.17 0.97 79.14 17.14 0.80 0.72 0.27 0.00 1.08 0.85 97 P C C 71.85 4.15 12.34 18.13 112.59 -103.19 -66.04 146.48 90.06 5.88 4.06 86.15 2.88 0.91 3.95 0.45 0.00 1.92 3.75 98 I H H 92.55 6.21 10.23 18.22 93.47 -118.25 -61.29 -36.99 8.17 0.10 91.73 2.05 1.24 4.88 83.18 8.52 0.03 0.06 0.04 99 E H H 108.45 3.64 11.48 16.58 92.87 54.52 -65.43 -39.34 4.50 0.07 95.43 0.70 0.48 3.06 86.16 9.50 0.02 0.05 0.01 100 Q H H 119.62 1.92 12.46 14.96 93.03 50.35 -68.21 -38.30 2.93 0.05 97.02 0.50 0.31 1.93 86.68 10.53 0.01 0.04 0.01 101 L H H 99.52 4.04 11.05 16.49 93.55 50.53 -70.38 -34.62 7.11 0.13 92.76 0.86 0.83 5.37 85.69 7.06 0.07 0.08 0.05 102 L H H 95.69 4.33 10.79 16.71 96.22 46.11 -88.67 -4.33 44.18 0.57 55.25 2.54 4.62 36.75 51.02 4.21 0.23 0.23 0.38 103 G C T 57.14 1.62 12.76 14.84 97.30 -111.36 77.90 13.63 98.20 0.41 1.39 19.53 8.51 70.48 0.67 0.44 0.00 0.23 0.13 104 F C C 117.14 5.27 8.20 15.38 115.94 129.81 -94.69 136.80 95.73 3.39 0.88 78.35 14.28 2.78 0.35 0.51 0.00 1.56 2.17 105 T C C 91.81 2.93 10.83 15.50 117.57 -153.45 -108.56 132.54 96.14 3.30 0.56 79.41 15.38 1.25 0.21 0.36 0.00 1.67 1.72 106 P C C 94.33 5.17 9.02 15.96 104.91 -122.66 -70.32 90.24 90.67 2.63 6.70 41.98 19.10 29.79 1.00 5.76 0.00 1.58 0.80 107 S C C 88.54 1.98 9.27 12.74 109.09 94.07 -93.54 84.84 91.42 2.92 5.66 42.97 16.72 31.93 0.84 4.82 0.00 1.62 1.10 108 S C C 86.46 2.36 8.52 12.65 109.47 118.31 -94.32 99.19 94.14 2.12 3.74 80.46 4.06 9.91 0.66 2.70 0.00 1.28 0.93 109 G C C 55.12 2.45 11.60 15.43 109.92 -75.08 87.05 -5.27 99.87 0.11 0.02 99.60 0.23 0.09 0.01 0.00 0.00 0.06 0.02