# 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 104.92 6.11 12.33 19.53 106.81 62.11 -85.46 95.75 99.04 0.28 0.68 98.71 0.24 0.24 0.55 0.05 0.00 0.13 0.07 1 A H H 72.44 2.98 11.12 15.27 101.79 65.12 -74.98 -26.68 48.97 1.77 49.26 44.21 1.35 4.56 46.19 2.15 0.00 0.98 0.57 2 L H H 116.00 2.76 9.73 13.86 96.90 55.40 -72.76 -30.41 28.23 2.20 69.58 19.35 4.74 6.29 63.49 4.06 0.03 1.51 0.53 3 T H H 89.98 2.94 11.16 15.11 97.68 58.20 -73.15 -33.05 23.15 2.88 73.97 16.43 3.64 5.14 66.98 4.99 0.02 2.26 0.53 4 T H H 82.29 2.84 12.88 16.43 98.05 55.87 -72.35 -37.30 21.63 3.12 75.25 15.63 3.44 4.80 68.55 4.55 0.02 2.44 0.56 5 L H H 89.84 4.30 13.78 19.09 95.96 53.60 -69.37 -38.67 19.01 2.85 78.14 13.09 3.51 4.56 73.20 3.03 0.03 2.02 0.55 6 A H H 55.17 5.27 13.61 20.14 94.48 54.66 -65.87 -40.57 19.15 1.82 79.03 11.75 3.45 5.50 75.08 2.52 0.03 1.31 0.36 7 S H H 63.94 3.77 15.11 19.52 93.97 51.75 -67.29 -38.31 21.88 1.31 76.80 13.30 3.21 6.45 73.56 2.27 0.02 0.90 0.29 8 R H H 139.94 2.82 15.59 19.00 93.31 52.21 -67.50 -39.41 14.26 0.82 84.91 8.77 2.77 4.14 81.41 2.17 0.02 0.53 0.19 9 K H H 117.11 3.78 15.37 20.09 93.66 50.91 -67.74 -38.97 13.09 1.15 85.76 8.25 2.09 4.04 82.21 2.33 0.02 0.82 0.24 10 A H H 55.77 4.91 13.78 19.98 93.75 52.22 -66.04 -39.72 12.81 1.16 86.04 7.90 2.05 4.02 82.43 2.47 0.02 0.87 0.23 11 A H H 64.36 3.12 14.97 18.68 93.96 52.26 -66.14 -39.49 14.42 1.58 84.00 8.39 2.45 4.89 80.16 2.55 0.04 1.18 0.33 12 A H H 65.71 3.16 14.62 18.58 94.64 51.64 -68.47 -37.07 16.80 1.43 81.78 8.54 3.02 6.66 77.81 2.58 0.05 1.00 0.34 13 F H H 121.95 4.58 13.55 19.29 96.63 50.99 -73.56 -33.03 19.68 1.46 78.86 10.61 3.83 7.00 74.11 3.04 0.06 0.96 0.39 14 S H H 70.83 4.13 13.59 18.84 97.16 56.19 -74.85 -23.53 25.57 1.20 73.23 13.63 4.27 8.86 69.02 3.10 0.03 0.71 0.36 15 S H H 73.63 3.19 13.68 17.79 100.88 59.11 -84.35 -5.65 33.35 1.22 65.42 18.25 5.93 10.58 60.56 3.57 0.03 0.67 0.42 16 V H H 86.66 4.83 11.95 18.20 104.17 86.22 -82.30 1.84 28.80 1.60 69.61 17.07 5.77 7.85 63.95 3.92 0.05 0.87 0.52 17 S H H 63.66 4.77 12.21 18.39 103.35 58.99 -76.07 -11.42 30.36 1.46 68.18 19.47 5.36 7.11 62.41 4.34 0.02 0.84 0.45 18 S H H 71.57 3.64 12.35 17.18 99.83 56.81 -75.82 -16.16 32.37 1.33 66.30 19.82 5.29 8.74 60.11 4.81 0.02 0.78 0.42 19 R H H 149.31 3.02 12.35 16.60 100.21 59.25 -77.71 -21.64 29.00 1.56 69.44 16.40 6.01 8.84 61.42 5.86 0.05 0.92 0.50 20 K H H 129.59 3.54 11.82 16.79 101.07 57.35 -79.29 -20.05 29.79 2.24 67.97 18.71 5.54 7.80 59.29 6.55 0.04 1.40 0.66 21 V H H 92.11 4.66 10.36 16.53 101.71 55.87 -82.39 -9.39 34.75 3.04 62.22 22.68 5.42 8.69 53.34 6.99 0.04 1.94 0.89 22 A H H 80.84 2.52 11.13 14.95 99.70 60.77 -78.94 -14.43 47.18 3.18 49.65 26.84 7.30 14.65 42.10 6.06 0.06 1.85 1.15 23 L C C 122.96 2.35 10.32 14.00 104.05 57.82 -89.67 12.25 63.42 4.02 32.55 32.12 13.10 19.40 26.58 4.96 0.08 1.99 1.76 24 A C C 69.31 4.33 9.59 15.79 117.33 115.45 -91.34 140.55 94.73 2.24 3.03 51.00 41.22 2.82 2.29 0.71 0.00 1.01 0.97 25 P C C 95.83 3.91 10.06 15.90 112.05 -108.11 -69.16 144.42 94.08 2.55 3.37 73.76 16.42 3.90 2.25 1.10 0.00 1.41 1.16 26 T C C 101.01 2.72 10.71 15.28 116.73 -136.41 -99.38 133.64 90.94 4.52 4.54 74.63 14.23 1.94 3.39 1.25 0.00 2.35 2.21 27 P C C 91.65 4.59 9.38 15.85 112.95 -109.09 -67.90 143.99 81.61 5.92 12.48 73.51 4.58 3.82 7.28 4.83 0.00 3.88 2.10 28 A C C 75.58 4.23 8.86 14.89 111.12 -114.71 -77.70 137.85 65.14 6.71 28.15 49.53 8.47 7.13 12.91 15.40 0.01 4.66 1.90 29 K C C 160.22 1.80 10.08 13.02 108.62 -136.99 -89.61 81.51 55.86 9.82 34.32 36.86 11.33 8.41 14.29 19.84 0.04 7.27 1.96 30 R C C 163.51 2.77 10.12 14.32 115.48 43.57 -98.33 132.45 54.74 11.82 33.44 37.37 10.42 7.78 13.90 19.37 0.05 9.10 2.02 31 M C C 128.74 3.82 9.47 15.13 113.90 -131.99 -90.89 129.34 65.39 13.31 21.30 50.72 8.32 5.86 12.45 9.41 0.03 10.27 2.95 32 V C C 94.38 5.39 8.84 15.94 118.11 -159.09 -102.93 133.19 74.78 13.15 12.07 58.77 10.91 4.33 9.35 3.36 0.02 9.96 3.29 33 S C C 81.76 2.72 11.19 15.48 115.87 -136.44 -94.09 138.28 79.60 11.01 9.39 64.94 8.11 5.76 6.71 3.04 0.01 9.11 2.30 34 T C C 94.32 4.93 9.04 15.72 113.69 -150.30 -96.06 126.56 82.93 9.07 8.00 64.81 10.69 7.16 4.92 3.18 0.01 6.89 2.34 35 R C C 160.00 3.05 10.69 15.37 114.25 -160.84 -98.79 129.09 84.92 9.54 5.54 67.26 12.02 5.47 3.35 2.27 0.00 7.14 2.49 36 A C C 75.13 4.11 10.44 16.18 112.89 -124.07 -85.82 133.94 87.98 8.08 3.94 73.34 9.98 4.62 1.97 1.86 0.00 6.37 1.85 37 V C C 105.58 4.09 9.54 15.38 113.34 -137.63 -90.67 129.01 84.36 8.83 6.81 56.15 11.18 17.31 2.53 3.96 0.01 6.47 2.39 38 G C C 50.07 3.51 11.74 16.59 114.53 29.21 107.23 -157.26 85.58 8.16 6.26 42.65 19.62 24.44 1.66 4.22 0.01 5.55 1.85 39 D C C 114.27 2.37 12.75 16.13 107.38 -59.73 -92.85 85.44 79.78 12.75 7.46 48.97 19.00 12.30 2.22 5.22 0.01 9.10 3.19 40 V C C 79.79 8.04 9.45 18.74 115.49 139.08 -97.43 128.97 74.77 19.00 6.23 45.01 18.76 11.55 2.61 3.61 0.04 13.35 5.08 41 N C C 122.02 2.40 14.89 18.09 104.61 -146.33 -93.69 70.64 81.34 13.71 4.95 50.88 21.11 9.66 2.31 2.62 0.02 10.15 3.26 42 A C C 38.59 11.15 9.82 21.94 120.13 134.33 -98.33 145.70 88.91 8.14 2.96 53.98 33.76 1.95 2.25 0.85 0.00 4.77 2.42 43 P C C 68.69 4.28 15.93 21.07 112.17 -101.66 -67.00 144.34 88.55 5.78 5.67 84.81 2.46 1.42 5.29 0.73 0.00 3.13 2.16 44 I H H 98.30 7.67 12.29 21.31 93.22 -122.40 -61.04 -35.82 10.58 0.21 89.21 3.82 1.85 5.56 84.43 4.11 0.03 0.12 0.08 45 E H H 123.53 2.93 15.93 19.52 92.77 57.02 -65.64 -37.36 7.23 0.18 92.59 1.80 0.97 4.64 86.87 5.50 0.03 0.13 0.05 46 Y H H 113.35 5.26 16.53 22.44 93.80 49.78 -68.48 -39.72 2.96 0.14 96.91 1.10 0.45 1.60 92.43 4.27 0.01 0.11 0.03 47 A H H 37.12 9.73 15.26 26.08 92.56 51.74 -65.29 -41.99 1.15 0.03 98.82 0.55 0.16 0.48 98.31 0.47 0.00 0.02 0.00 48 V H H 67.36 6.45 18.23 25.43 92.18 49.58 -64.86 -42.03 0.61 0.01 99.38 0.18 0.06 0.31 99.29 0.15 0.00 0.00 0.00 49 G H H 32.80 4.28 19.11 23.79 92.09 50.34 -64.14 -42.01 0.40 0.00 99.59 0.10 0.03 0.22 99.58 0.07 0.00 0.00 0.00 50 A H H 45.51 6.34 18.92 26.17 92.08 50.10 -64.86 -41.35 0.21 0.00 99.79 0.05 0.01 0.11 99.79 0.03 0.00 0.00 0.00 51 A H H 39.76 8.83 18.11 27.88 91.99 51.32 -64.40 -41.95 0.14 0.00 99.86 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 52 I H H 82.90 5.46 20.01 25.76 91.90 49.17 -64.54 -42.24 0.11 0.00 99.89 0.01 0.01 0.06 99.91 0.01 0.00 0.00 0.00 53 L H H 85.38 4.12 20.52 24.50 91.90 49.03 -64.54 -42.40 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 54 V H H 61.12 7.11 18.97 26.86 92.08 48.52 -64.82 -42.38 0.20 0.00 99.80 0.03 0.01 0.13 99.81 0.02 0.00 0.00 0.00 55 S H H 41.62 8.25 17.80 27.05 92.08 50.09 -64.40 -41.64 0.61 0.00 99.39 0.07 0.03 0.45 99.41 0.04 0.00 0.00 0.00 56 L H H 84.96 4.12 19.26 23.56 92.11 49.86 -64.70 -41.85 0.80 0.00 99.20 0.08 0.05 0.61 99.17 0.09 0.00 0.00 0.00 57 V H H 74.86 3.97 18.78 22.89 92.01 48.97 -64.96 -42.00 0.78 0.00 99.21 0.09 0.06 0.58 98.97 0.30 0.00 0.00 0.00 58 A H H 45.19 6.91 16.23 24.40 92.16 50.22 -65.03 -40.53 1.51 0.01 98.48 0.10 0.08 1.25 97.63 0.93 0.00 0.00 0.00 59 T H H 70.31 5.39 16.75 22.98 92.40 49.14 -66.61 -37.12 6.18 0.01 93.81 0.16 0.20 6.09 91.88 1.65 0.01 0.00 0.00 60 A H H 61.65 3.65 16.74 20.75 93.22 51.11 -68.28 -35.31 28.17 0.04 71.79 0.53 0.88 27.36 68.85 2.30 0.03 0.01 0.03 61 I H H 87.27 4.20 16.12 21.05 94.86 47.52 -71.59 -38.37 29.67 0.10 70.22 1.46 2.60 25.82 67.04 2.85 0.10 0.04 0.09 62 I H H 77.14 5.30 14.73 21.42 92.64 52.53 -64.86 -42.14 11.02 0.18 88.80 2.39 1.66 6.27 68.51 20.96 0.04 0.11 0.06 63 P H H 66.02 4.49 14.19 20.19 92.00 50.87 -65.71 -37.26 7.49 0.13 92.39 1.48 0.73 4.49 69.48 23.69 0.01 0.10 0.02 64 I H H 100.10 3.32 14.29 18.48 93.40 50.57 -68.64 -36.71 5.75 0.12 94.13 0.88 0.64 3.62 71.64 23.09 0.02 0.08 0.03 65 V H H 97.20 3.00 14.05 17.78 95.21 47.20 -75.01 -32.78 17.27 0.50 82.23 2.89 2.63 11.40 66.86 15.51 0.18 0.29 0.24 66 L C H 99.16 4.08 12.46 17.75 99.08 49.45 -83.82 -20.18 53.20 1.86 44.95 10.42 13.49 30.98 34.29 8.46 0.36 0.76 1.23 67 N C S 87.14 4.87 12.79 19.04 108.74 63.52 -98.08 95.65 94.24 1.08 4.67 41.28 48.40 4.30 4.09 0.83 0.00 0.35 0.75 68 P C C 76.61 5.74 13.12 20.43 100.41 -141.79 -66.33 0.73 69.51 0.99 29.50 37.75 11.08 20.14 25.88 4.16 0.01 0.42 0.56 69 G H H 35.87 7.16 14.47 22.62 99.56 29.04 13.06 -36.89 45.50 0.74 53.76 21.92 9.47 15.82 47.61 4.44 0.03 0.31 0.40 70 Q H H 109.44 4.16 15.39 20.40 94.57 47.74 -67.60 -38.48 13.34 0.27 86.39 6.67 2.96 4.88 82.01 3.23 0.02 0.14 0.10 71 Q H H 109.42 2.14 17.64 19.28 93.25 52.52 -66.04 -40.00 6.43 0.17 93.40 3.39 1.13 2.50 90.49 2.34 0.01 0.11 0.04 72 A H H 37.32 5.88 15.37 23.11 92.17 50.99 -64.55 -40.66 3.17 0.07 96.77 1.49 0.49 1.35 95.24 1.36 0.00 0.04 0.01 73 A H H 35.42 8.26 14.48 24.51 92.02 51.55 -64.11 -40.40 1.67 0.02 98.31 0.62 0.23 0.78 97.72 0.64 0.00 0.01 0.00 74 D H H 78.80 3.09 17.71 21.08 91.57 51.49 -64.20 -40.30 1.28 0.01 98.70 0.40 0.15 0.65 98.35 0.43 0.00 0.01 0.00 75 K H H 115.99 2.26 17.95 19.79 92.12 50.49 -65.46 -40.68 1.42 0.02 98.57 0.37 0.16 0.81 98.20 0.45 0.00 0.01 0.00 76 I H H 70.68 5.99 15.22 22.61 92.43 49.64 -65.12 -41.90 1.98 0.03 97.99 0.47 0.22 1.19 97.55 0.55 0.00 0.01 0.00 77 F H H 90.88 4.84 14.08 20.44 92.29 49.32 -65.87 -39.84 4.51 0.06 95.42 1.09 0.56 2.80 94.69 0.80 0.01 0.03 0.02 78 N H H 92.41 2.12 14.88 17.04 92.90 50.83 -66.58 -37.97 13.30 0.12 86.57 2.65 1.50 9.15 85.17 1.38 0.04 0.05 0.06 79 A H H 61.93 3.43 11.69 16.55 94.02 55.67 -68.04 -34.35 22.90 0.21 76.89 5.14 3.54 14.74 74.19 2.12 0.06 0.08 0.12 80 K H H 132.09 3.17 11.52 15.90 95.94 53.30 -76.78 -23.01 34.99 0.57 64.44 10.51 7.22 19.06 59.36 3.20 0.09 0.23 0.34 81 Q C H 135.77 1.85 10.93 13.73 98.51 63.38 -77.82 -4.87 57.18 0.71 42.10 15.99 11.77 30.17 37.58 3.74 0.05 0.27 0.43 82 K C C 146.34 2.25 10.41 14.12 108.48 83.57 -92.14 102.49 77.48 1.03 21.49 33.41 21.32 23.34 16.91 3.91 0.01 0.36 0.73 83 A C C 67.54 4.01 9.72 15.64 117.80 -130.65 -80.25 148.15 96.37 1.00 2.63 59.99 34.46 2.16 1.47 0.95 0.00 0.36 0.61 84 P C C 90.95 4.11 9.83 15.84 112.25 -101.23 -67.06 145.57 92.05 1.97 5.97 82.99 4.70 4.71 1.97 3.58 0.00 1.04 1.02 85 L C C 122.46 3.10 8.28 13.34 108.44 -121.05 -83.51 111.27 86.68 6.27 7.05 53.33 20.09 13.06 1.73 5.54 0.00 3.08 3.16 86 D C C 122.84 1.29 9.28 11.60 110.27 -124.24 -90.44 112.50 88.13 6.70 5.17 57.79 18.05 11.82 1.24 4.35 0.00 3.63 3.11 87 K C C 136.29 3.54 7.45 13.19 116.40 -151.49 -95.03 134.17 95.92 3.30 0.78 72.57 22.00 1.56 0.27 0.48 0.00 1.86 1.26 88 P C C 102.61 2.17 8.84 12.73 113.36 -110.80 -69.58 148.22 97.60 1.53 0.86 84.54 10.03 3.08 0.24 0.59 0.00 0.93 0.58 89 T C C 114.29 1.48 8.55 11.48 112.11 -109.28 -82.91 136.90 94.18 4.59 1.23 81.82 9.85 2.10 0.43 0.77 0.00 1.95 3.07 90 T C C 101.53 2.45 7.69 12.02 116.30 -129.68 -94.57 137.80 95.99 2.93 1.09 81.87 12.61 1.37 0.48 0.55 0.00 1.46 1.66 91 P C C 109.92 1.86 8.65 11.97 111.06 -108.10 -71.14 142.37 91.34 1.78 6.88 66.41 11.13 13.72 1.92 4.91 0.00 1.06 0.83 92 G C C 54.78 2.72 8.42 12.81 111.82 -103.92 -77.38 153.21 87.61 3.22 9.17 58.37 12.53 16.72 2.55 6.49 0.00 1.82 1.53 93 K C C 156.57 1.77 8.65 11.79 109.40 -135.61 -88.87 110.33 81.29 6.32 12.39 53.26 15.58 12.32 4.05 8.29 0.01 3.41 3.08 94 N C C 116.41 2.72 7.66 12.14 108.54 -147.07 -90.30 99.41 82.33 5.60 12.07 53.62 14.65 14.04 3.67 8.39 0.00 3.24 2.37 95 S C C 84.66 2.43 7.67 11.81 106.97 153.54 -87.69 51.20 84.25 4.40 11.34 41.07 17.51 26.41 2.77 8.13 0.00 2.52 1.59 96 G C C 58.91 1.69 8.37 11.36 107.56 -27.27 76.41 41.82 85.22 5.30 9.48 38.29 19.58 28.34 1.93 7.10 0.01 3.15 1.60 97 K C C 155.47 1.71 7.67 10.99 111.45 118.04 -89.08 122.98 88.29 6.03 5.68 77.99 4.00 6.68 1.75 3.39 0.00 3.93 2.27 98 K C C 154.27 2.21 9.75 13.65 111.06 -135.51 -89.53 124.40 99.30 0.60 0.10 99.04 0.30 0.14 0.04 0.02 0.00 0.35 0.11