# 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 133.63 2.98 9.93 14.73 114.66 -158.09 -92.58 133.40 99.81 0.17 0.02 99.67 0.16 0.05 0.01 0.00 0.00 0.08 0.03 1 S C C 88.56 2.08 7.69 11.57 114.01 -132.53 -87.75 138.25 94.70 4.22 1.08 89.69 1.13 4.38 0.36 0.44 0.00 1.97 2.03 2 G C C 59.65 1.62 7.89 10.92 114.20 -130.99 -90.59 158.15 96.63 2.36 1.01 60.84 26.49 9.29 0.26 0.81 0.00 1.13 1.19 3 K C C 159.60 1.45 8.19 11.10 115.99 -100.99 -94.62 136.12 97.89 1.64 0.47 59.25 37.70 1.07 0.16 0.24 0.00 0.59 0.97 4 P C C 97.85 3.06 7.76 12.79 114.55 -106.04 -71.01 145.24 98.68 0.68 0.64 85.49 12.14 1.07 0.26 0.33 0.00 0.31 0.40 5 P C C 108.91 2.06 8.72 12.37 110.07 -104.58 -69.64 143.89 96.74 0.80 2.46 88.14 6.17 2.56 0.73 1.57 0.00 0.42 0.41 6 V C C 116.96 2.47 7.39 11.58 112.24 -120.59 -86.70 130.46 92.39 2.54 5.07 82.22 6.63 3.38 1.21 3.95 0.00 1.42 1.20 7 Y C C 168.56 2.55 8.03 12.35 115.61 -153.98 -99.45 132.91 90.37 5.32 4.30 77.39 8.66 3.82 1.07 3.57 0.00 3.17 2.32 8 R C C 184.82 1.34 9.94 12.23 113.97 -137.44 -94.60 129.28 90.64 7.03 2.34 76.97 9.63 3.12 0.59 2.08 0.00 3.15 4.45 9 L C C 93.01 8.24 6.66 15.81 116.57 -127.15 -88.98 139.27 97.81 2.05 0.14 78.91 18.77 0.25 0.05 0.07 0.00 0.89 1.06 10 P C C 90.49 2.56 12.87 16.40 115.62 -104.48 -67.98 152.23 99.52 0.40 0.08 93.49 5.56 0.53 0.02 0.04 0.00 0.21 0.15 11 P C C 114.59 1.92 12.02 15.31 113.58 -98.66 -67.81 142.14 98.97 0.89 0.13 92.86 5.42 0.68 0.04 0.08 0.00 0.35 0.57 12 L C C 72.47 11.38 6.77 18.40 113.93 -119.63 -88.98 130.86 97.12 2.64 0.23 94.81 2.29 0.24 0.07 0.12 0.00 1.14 1.33 13 P C C 108.16 1.58 14.22 15.84 96.53 -135.66 -69.20 -30.18 98.24 1.42 0.34 59.94 33.94 4.40 0.05 0.34 0.00 1.10 0.23 14 R C C 161.75 2.35 13.12 16.45 125.49 3.53 -129.84 138.57 76.69 22.67 0.64 52.19 20.30 4.72 0.12 0.67 0.00 19.69 2.32 15 L C C 78.48 11.64 8.93 21.05 120.77 -163.62 -114.46 132.64 56.60 43.05 0.36 54.79 1.75 0.25 0.14 0.19 0.00 38.21 4.68 16 K C C 135.76 2.87 16.21 19.85 120.08 -160.51 -110.07 134.34 56.23 43.38 0.39 54.38 1.35 0.29 0.18 0.18 0.00 38.32 5.30 17 V C C 68.15 12.42 9.59 22.37 118.94 -158.07 -104.82 132.50 73.62 25.46 0.93 68.05 3.94 1.07 0.43 0.49 0.00 22.15 3.87 18 K C C 122.36 4.13 14.33 19.64 117.01 -129.49 -86.74 147.54 92.95 6.24 0.81 79.89 11.85 1.38 0.35 0.43 0.00 4.46 1.64 19 K C C 139.11 4.11 13.64 19.32 114.07 -103.42 -73.89 139.85 97.76 1.05 1.20 83.87 12.88 1.15 0.67 0.42 0.00 0.53 0.49 20 P C C 61.95 10.26 9.07 20.26 112.38 -107.06 -66.75 147.48 84.27 1.08 14.66 68.32 7.12 9.00 8.78 5.61 0.00 0.57 0.59 21 I C C 118.71 2.98 11.86 15.93 104.78 -130.11 -84.18 62.86 76.20 2.01 21.79 49.70 14.88 11.72 14.24 7.37 0.01 0.91 1.18 22 I C C 107.59 3.95 9.90 15.35 110.85 74.56 -92.78 116.27 70.41 2.32 27.27 45.18 15.65 9.97 18.95 7.95 0.01 1.08 1.21 23 R C C 158.65 3.05 10.25 14.83 101.71 -132.97 -78.81 -13.42 66.47 1.75 31.78 47.01 10.94 8.54 24.23 7.56 0.01 0.84 0.86 24 Q C C 120.84 3.33 10.42 15.23 101.66 66.20 -80.16 -10.69 59.77 1.55 38.69 33.27 13.12 14.25 27.27 10.56 0.03 0.71 0.79 25 E C C 123.87 3.87 11.12 16.39 103.14 56.57 -81.80 18.33 63.28 1.38 35.35 35.10 12.43 16.56 24.69 9.81 0.02 0.63 0.77 26 A C C 68.09 5.04 11.43 17.87 100.22 77.96 -77.91 -21.50 70.01 1.27 28.73 37.95 18.59 14.24 20.80 7.10 0.01 0.48 0.83 27 N C C 73.62 7.39 11.84 20.61 109.07 55.95 -93.89 108.08 87.41 0.87 11.72 63.24 18.17 5.20 10.63 1.80 0.00 0.31 0.65 28 K C H 128.18 3.60 15.54 20.18 94.33 -153.45 -65.76 -29.34 54.31 0.31 45.37 5.40 5.71 41.98 43.01 3.50 0.06 0.14 0.20 29 C H H 49.65 10.35 14.59 25.61 93.36 54.92 -69.48 -33.47 42.74 0.23 57.03 5.06 3.73 32.95 55.13 2.85 0.05 0.10 0.13 30 L H H 60.20 9.33 15.62 26.07 92.66 56.82 -64.75 -40.30 2.48 0.03 97.48 1.26 0.33 0.80 97.10 0.49 0.00 0.02 0.01 31 V H H 75.75 3.84 19.06 23.20 92.16 51.28 -64.36 -41.66 0.32 0.00 99.67 0.12 0.03 0.12 99.62 0.11 0.00 0.00 0.00 32 L H H 67.39 7.61 18.86 27.32 92.00 49.44 -64.86 -41.76 0.13 0.00 99.87 0.03 0.01 0.06 99.85 0.05 0.00 0.00 0.00 33 M H H 51.41 13.25 17.55 31.01 92.06 49.74 -64.72 -41.08 0.08 0.00 99.92 0.01 0.00 0.04 99.92 0.02 0.00 0.00 0.00 34 S H H 45.22 6.58 19.62 27.05 91.45 51.47 -63.23 -41.27 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 35 N H H 80.22 3.97 21.78 25.64 91.78 50.67 -64.59 -40.83 0.14 0.00 99.86 0.01 0.00 0.10 99.87 0.01 0.00 0.00 0.00 36 L H H 46.10 12.37 18.44 31.24 91.96 50.49 -64.48 -41.83 0.22 0.00 99.78 0.01 0.01 0.18 99.77 0.03 0.00 0.00 0.00 37 L H H 54.44 11.65 18.61 30.61 91.73 50.82 -63.80 -40.97 0.18 0.00 99.82 0.01 0.01 0.14 99.75 0.10 0.00 0.00 0.00 38 Q H H 101.56 2.72 22.19 24.08 91.86 51.24 -64.04 -41.47 0.51 0.00 99.49 0.02 0.02 0.43 99.22 0.31 0.00 0.00 0.00 39 C H H 40.91 6.53 17.85 26.03 91.82 50.53 -64.25 -41.72 1.48 0.00 98.52 0.07 0.07 1.27 98.12 0.46 0.00 0.00 0.00 40 W H H 58.24 13.26 13.86 27.99 92.10 50.55 -64.53 -40.44 2.73 0.01 97.25 0.28 0.27 2.10 96.31 1.02 0.01 0.00 0.00 41 S H H 64.09 5.06 15.63 21.69 92.59 52.93 -66.28 -36.71 6.69 0.03 93.28 0.41 0.48 5.87 89.04 4.15 0.03 0.01 0.01 42 S H H 83.36 1.40 16.25 16.82 94.40 45.57 -75.22 -31.51 14.76 0.04 85.20 0.58 1.03 13.53 81.29 3.48 0.05 0.02 0.03 43 Y H H 130.80 4.40 13.61 19.16 101.87 28.17 -106.73 -6.02 36.63 0.40 62.98 3.40 7.83 26.45 58.22 3.47 0.17 0.13 0.32 44 G C C 35.56 5.43 15.22 22.00 114.73 -121.91 75.78 171.44 84.54 0.73 14.73 40.24 11.58 32.25 2.31 12.86 0.00 0.36 0.41 45 H C T 98.46 11.38 11.48 22.96 96.92 -64.35 -69.82 6.32 83.57 0.81 15.63 26.57 14.52 41.59 1.56 14.91 0.00 0.41 0.43 46 M C T 131.47 2.69 15.00 18.51 97.56 83.24 -91.20 3.26 85.12 0.76 14.11 33.79 15.12 34.81 1.19 14.29 0.00 0.37 0.43 47 S C S 41.07 7.11 10.43 19.72 117.13 120.61 -78.99 143.46 97.70 0.64 1.66 47.77 49.18 0.60 1.43 0.23 0.00 0.12 0.67 48 P H H 116.24 1.11 14.81 15.65 91.56 -118.00 -59.59 -34.44 15.92 0.03 84.06 0.82 1.46 13.65 78.19 5.81 0.04 0.01 0.02 49 K H H 133.24 2.34 16.06 18.92 91.76 54.89 -66.15 -37.41 15.67 0.03 84.31 0.57 0.84 14.66 77.36 6.50 0.04 0.01 0.02 50 C H H 17.47 15.85 11.61 27.86 93.52 46.96 -72.40 -35.19 8.58 0.04 91.39 0.94 0.72 6.67 85.11 6.49 0.03 0.02 0.01 51 A H H 48.25 6.93 17.05 25.27 91.61 56.93 -61.56 -41.70 0.76 0.00 99.24 0.21 0.07 0.33 99.18 0.20 0.00 0.00 0.00 52 G H H 38.34 2.08 21.54 22.11 91.51 50.40 -63.91 -41.17 0.32 0.00 99.68 0.05 0.02 0.17 99.70 0.06 0.00 0.00 0.00 53 L H H 48.72 9.78 18.92 29.80 91.91 49.78 -65.13 -41.88 0.09 0.00 99.91 0.01 0.00 0.04 99.91 0.02 0.00 0.00 0.00 54 V H H 27.45 15.03 16.55 32.15 91.65 50.80 -63.18 -42.62 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 55 T H H 76.78 2.80 22.53 24.48 91.54 49.94 -63.91 -41.99 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 56 E H H 98.18 3.54 21.02 24.43 91.53 49.82 -64.37 -41.89 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 57 L H H 37.82 13.94 16.54 31.01 91.80 49.94 -64.16 -41.91 0.10 0.00 99.90 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 58 K H H 97.75 7.53 19.08 27.32 91.43 50.97 -63.47 -41.11 0.26 0.00 99.74 0.01 0.01 0.19 99.74 0.04 0.00 0.00 0.00 59 S H H 63.88 2.24 20.36 21.52 92.14 50.08 -65.16 -40.87 1.63 0.00 98.37 0.10 0.07 1.33 98.29 0.21 0.00 0.00 0.00 60 C H H 52.07 7.01 16.89 25.10 92.63 49.72 -65.91 -40.14 5.86 0.02 94.12 0.54 0.43 4.67 93.73 0.62 0.01 0.01 0.01 61 T H H 50.46 9.96 15.62 26.33 93.99 47.20 -72.51 -33.95 18.78 0.40 80.82 4.82 3.27 11.66 78.23 1.55 0.08 0.15 0.24 62 S H H 57.41 4.26 16.62 21.60 94.74 55.78 -67.04 -38.89 30.46 0.71 68.83 14.18 6.30 11.76 64.54 2.51 0.04 0.29 0.38 63 E H H 108.62 3.31 15.86 19.73 93.76 52.75 -67.02 -38.54 28.93 0.55 70.52 13.67 6.19 10.70 64.56 4.34 0.04 0.25 0.26 64 S H H 53.50 5.69 13.17 20.45 93.16 52.32 -67.60 -36.00 33.12 0.60 66.28 17.09 5.71 11.98 58.84 5.79 0.02 0.30 0.28 65 A H H 60.33 5.22 12.17 19.01 93.72 53.93 -70.36 -31.73 41.55 0.76 57.69 23.05 6.86 13.63 49.82 5.89 0.02 0.35 0.40 66 L C H 114.53 2.47 12.16 15.67 96.19 57.35 -73.13 -24.36 61.03 0.72 38.25 27.90 10.58 23.50 32.60 4.67 0.02 0.29 0.44 67 G C C 52.85 2.60 12.13 15.79 100.81 44.98 -62.83 -9.22 80.99 0.74 18.28 42.04 12.59 26.58 14.22 3.81 0.00 0.32 0.45 68 K C C 136.40 3.25 9.72 14.78 110.63 95.09 -85.87 116.42 88.88 1.27 9.85 67.71 14.34 6.37 7.60 2.52 0.00 0.52 0.93 69 R C C 158.03 3.17 9.66 14.67 111.13 -142.52 -85.22 127.22 90.51 1.86 7.64 79.55 6.46 4.15 5.72 1.93 0.00 0.82 1.37 70 N C C 113.33 3.26 9.26 14.32 109.07 -128.44 -82.55 119.54 89.09 1.27 9.64 70.68 10.60 7.59 6.06 3.61 0.00 0.62 0.83 71 N C C 116.09 2.50 9.94 13.85 108.24 -108.05 -89.56 91.53 86.46 1.60 11.94 62.23 15.27 8.80 7.15 4.82 0.00 0.77 0.97 72 V C C 97.38 4.63 8.87 15.29 110.35 120.12 -88.98 113.29 83.90 2.32 13.79 64.32 13.10 6.14 9.48 4.52 0.00 1.16 1.28 73 Q C C 123.82 3.07 10.58 15.30 110.52 -132.64 -87.79 120.78 82.21 2.87 14.92 67.06 9.40 5.20 11.77 3.59 0.00 1.43 1.55 74 K C C 134.67 3.85 10.67 16.16 108.81 -140.91 -88.32 103.35 75.54 2.35 22.10 59.17 10.07 5.27 20.18 3.05 0.00 1.06 1.19 75 S C C 56.71 6.15 10.42 18.13 113.15 -131.96 -88.44 144.89 68.26 1.48 30.26 50.95 8.97 7.12 28.55 3.05 0.00 0.66 0.68 76 N H H 100.12 3.95 13.03 18.23 97.44 -130.37 -73.81 -22.34 43.46 1.15 55.39 23.61 11.34 10.09 50.46 3.47 0.03 0.47 0.53 77 I H H 87.98 5.80 12.51 19.68 94.75 64.00 -68.75 -38.05 28.73 0.94 70.33 11.33 7.42 11.90 65.04 3.32 0.13 0.41 0.46 78 N H H 77.79 5.37 12.95 19.67 95.14 51.57 -69.46 -35.56 22.78 0.62 76.61 11.90 4.08 8.18 72.25 2.98 0.04 0.31 0.26 79 Y H H 133.84 2.40 14.48 17.20 93.26 53.79 -65.10 -41.77 7.78 0.16 92.06 2.76 1.42 4.22 87.88 3.53 0.04 0.09 0.07 80 H H H 97.21 3.99 14.40 19.57 92.86 49.71 -65.77 -40.97 6.10 0.08 93.81 1.43 0.80 4.02 88.93 4.70 0.03 0.05 0.04 81 A H H 44.18 6.56 12.39 20.83 92.56 51.11 -65.12 -39.38 3.90 0.02 96.08 0.56 0.37 2.74 89.25 7.05 0.01 0.01 0.01 82 A H H 59.73 3.05 13.97 18.01 92.05 53.22 -64.92 -36.79 5.89 0.02 94.10 0.40 0.33 4.58 80.48 14.19 0.01 0.01 0.01 83 R H H 145.03 2.09 14.04 16.47 92.44 53.47 -69.48 -27.86 19.63 0.03 80.34 0.55 0.76 17.69 64.20 16.74 0.03 0.01 0.02 84 L H H 77.83 6.38 10.87 19.02 95.96 51.00 -87.14 -9.08 29.82 0.09 70.09 1.82 2.12 23.97 50.67 21.25 0.05 0.03 0.08 85 Y H G 127.02 6.28 10.28 18.41 93.24 91.75 -60.09 -37.02 16.64 0.22 83.14 3.27 1.89 10.53 21.07 63.04 0.01 0.13 0.08 86 D H G 119.96 1.02 13.75 14.22 92.51 57.02 -70.91 -17.42 21.99 0.25 77.76 2.32 2.01 16.32 19.83 59.28 0.01 0.14 0.10 87 R H G 147.15 3.22 12.00 16.50 97.24 54.84 -92.06 -1.57 24.89 0.71 74.40 4.98 3.62 15.64 17.92 57.12 0.03 0.45 0.23 88 I C C 84.37 8.72 7.80 17.65 112.34 95.28 -88.41 120.02 60.58 22.68 16.74 40.14 12.79 6.02 12.04 4.78 0.15 8.91 15.17 89 N C C 120.48 1.78 10.82 13.85 115.16 -169.06 -106.30 127.81 82.42 10.18 7.40 59.47 12.26 10.13 5.69 2.06 0.01 6.34 4.03 90 G C C 52.83 2.55 9.76 13.99 121.20 -46.19 99.22 163.72 93.18 5.42 1.40 43.05 40.35 10.34 0.44 0.91 0.00 3.53 1.37 91 K C C 151.85 1.82 10.16 13.41 117.20 -68.10 -91.11 140.37 96.58 2.91 0.50 73.01 22.53 1.34 0.17 0.33 0.00 1.61 1.02 92 P C C 102.20 3.31 8.16 13.54 111.15 -105.71 -67.48 145.76 93.65 3.50 2.86 72.22 9.36 11.73 0.64 2.37 0.00 2.05 1.63 93 H C C 147.92 2.25 7.31 11.36 109.18 -127.97 -88.84 114.25 95.36 2.47 2.17 83.97 2.40 9.23 0.56 1.28 0.00 1.25 1.31 94 D C C 117.62 1.76 9.56 12.70 105.65 -145.16 -87.17 80.26 99.81 0.14 0.05 99.36 0.33 0.17 0.01 0.01 0.00 0.08 0.03