# 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 95.80 9.70 17.50 27.47 111.90 -130.86 -86.10 121.93 99.93 0.06 0.01 99.74 0.17 0.05 0.00 0.00 0.00 0.02 0.01 1 L C C 36.19 18.63 9.56 26.88 117.88 -116.26 -82.04 144.53 98.28 0.88 0.84 95.17 2.34 0.67 0.74 0.10 0.00 0.25 0.71 2 C C C 60.98 4.38 15.10 20.73 117.55 -112.32 -71.72 160.97 97.67 0.59 1.73 94.02 3.01 0.63 1.63 0.16 0.00 0.18 0.37 3 E H H 137.46 2.47 14.43 18.01 92.27 -105.04 -58.97 -38.57 4.08 0.01 95.90 1.11 0.96 1.83 95.65 0.45 0.00 0.00 0.00 4 I H H 89.45 4.57 16.49 22.08 92.28 51.84 -64.83 -40.50 2.11 0.01 97.89 0.45 0.29 1.22 97.52 0.51 0.00 0.00 0.00 5 E H H 35.04 16.81 14.73 31.46 92.00 49.50 -65.25 -40.82 1.00 0.00 98.99 0.33 0.11 0.50 98.56 0.49 0.00 0.00 0.00 6 C H H 37.24 12.11 17.09 30.05 91.82 51.03 -63.54 -41.10 0.62 0.00 99.38 0.21 0.06 0.27 99.30 0.15 0.00 0.00 0.00 7 R H H 132.18 2.12 23.56 24.18 91.65 50.23 -64.36 -41.52 0.52 0.00 99.48 0.11 0.04 0.28 99.51 0.06 0.00 0.00 0.00 8 A H H 16.17 12.74 19.55 33.63 91.58 49.86 -63.57 -43.05 0.43 0.00 99.56 0.08 0.03 0.22 99.60 0.06 0.00 0.00 0.00 9 L H H 5.10 24.75 16.05 40.90 91.40 49.91 -64.12 -41.74 0.53 0.00 99.47 0.08 0.04 0.29 99.48 0.11 0.00 0.00 0.00 10 S H H 56.70 8.46 21.49 30.24 91.58 52.12 -63.91 -39.18 1.62 0.00 98.38 0.15 0.08 1.14 98.27 0.36 0.00 0.00 0.00 11 T H H 84.21 2.78 23.45 25.48 92.39 49.28 -68.94 -34.05 6.91 0.00 93.08 0.19 0.27 6.36 92.63 0.55 0.01 0.00 0.00 12 A H H 14.06 17.97 16.57 34.77 96.45 45.21 -90.40 -16.49 30.17 0.04 69.80 2.05 1.51 25.59 69.73 1.07 0.01 0.01 0.02 13 H H H 39.32 20.69 16.13 35.75 92.51 87.53 -58.91 -43.39 7.23 0.04 92.74 3.27 0.82 3.17 89.70 3.00 0.00 0.02 0.02 14 T H H 76.06 4.53 22.24 27.02 91.90 51.78 -64.30 -39.58 3.14 0.01 96.85 0.68 0.37 1.96 93.77 3.21 0.00 0.01 0.01 15 R H H 106.24 5.81 22.36 28.37 91.93 49.84 -66.08 -40.48 1.53 0.01 98.46 0.29 0.16 0.97 94.27 4.30 0.00 0.01 0.00 16 L H H 4.64 24.33 16.03 40.54 91.98 50.03 -64.47 -43.02 1.14 0.01 98.86 0.21 0.10 0.70 95.23 3.74 0.00 0.00 0.00 17 I H H 28.06 19.61 18.17 36.97 92.20 48.84 -65.89 -37.56 2.72 0.01 97.26 0.31 0.20 2.03 90.91 6.53 0.00 0.01 0.00 18 H H H 130.17 3.06 22.55 25.70 93.42 50.52 -71.90 -30.58 15.58 0.02 84.40 0.54 0.73 14.22 78.40 6.06 0.02 0.01 0.01 19 D H H 63.43 9.75 20.41 30.56 99.22 40.78 -97.63 -6.67 45.12 0.07 54.81 3.09 3.18 37.74 51.35 4.53 0.01 0.03 0.06 20 F C C 9.59 25.75 13.01 38.60 110.84 113.22 -79.78 123.69 94.30 1.97 3.74 71.68 19.80 1.96 3.24 0.54 0.00 0.38 2.40 21 E C C 78.21 7.86 26.37 34.71 107.20 -163.53 -106.47 99.00 99.27 0.17 0.55 98.51 0.70 0.21 0.37 0.05 0.00 0.05 0.11 22 P H H 5.44 25.89 14.91 41.44 93.28 -175.16 -64.63 -30.68 31.25 0.26 68.48 14.97 2.86 12.91 40.36 28.59 0.01 0.15 0.15 23 R H H 126.50 9.01 21.83 31.54 91.32 65.57 -63.79 -33.95 12.08 0.05 87.87 0.82 0.87 9.07 50.16 39.02 0.01 0.03 0.02 24 D H H 74.61 6.94 23.89 30.92 92.79 48.41 -74.69 -27.44 9.81 0.04 90.15 0.71 0.68 7.34 51.79 39.44 0.01 0.03 0.01 25 A H H 2.18 25.40 17.89 43.40 94.05 51.70 -73.11 -34.33 16.03 0.08 83.88 1.77 1.31 10.98 60.15 25.69 0.02 0.04 0.04 26 L H H 11.03 22.55 19.27 41.21 92.04 57.32 -62.70 -42.51 2.43 0.02 97.55 0.80 0.32 1.17 96.41 1.29 0.00 0.01 0.00 27 T H H 70.65 4.03 25.06 28.89 91.69 52.56 -63.41 -40.95 0.76 0.00 99.24 0.15 0.06 0.46 98.45 0.87 0.00 0.00 0.00 28 Y H H 53.30 11.02 21.38 33.24 91.77 50.13 -64.89 -41.61 0.45 0.00 99.54 0.06 0.03 0.30 98.73 0.87 0.00 0.00 0.00 29 L H H 3.24 24.54 15.19 40.20 92.06 49.76 -64.53 -42.80 0.53 0.00 99.47 0.07 0.05 0.36 98.69 0.83 0.00 0.00 0.00 30 E H H 69.36 12.64 17.28 30.01 91.91 50.29 -64.08 -40.40 1.75 0.01 98.24 0.15 0.12 1.43 97.29 0.99 0.01 0.00 0.00 31 G H H 54.86 1.73 18.86 20.36 90.49 56.17 -65.14 -28.02 11.76 0.03 88.21 0.30 0.50 11.75 86.46 0.91 0.05 0.01 0.02 32 K C T 90.20 9.16 14.84 25.30 93.69 50.42 -89.86 4.71 93.13 0.02 6.85 0.28 2.39 90.50 6.36 0.44 0.00 0.00 0.03 33 N C T 120.62 2.95 20.21 23.95 93.33 -117.94 63.87 30.95 99.74 0.01 0.25 0.25 2.61 96.98 0.11 0.04 0.00 0.00 0.00 34 I C S 16.76 19.94 15.98 36.32 96.75 129.34 -84.98 -29.22 99.67 0.29 0.04 9.61 89.43 0.72 0.01 0.01 0.00 0.09 0.13 35 F C S 8.82 23.20 12.93 36.53 134.95 23.53 -138.38 152.64 98.97 1.01 0.03 13.22 85.77 0.13 0.01 0.00 0.00 0.19 0.66 36 T C C 60.55 4.59 21.45 25.87 124.47 -122.62 -84.31 167.96 99.82 0.16 0.02 99.55 0.31 0.02 0.01 0.00 0.00 0.04 0.08 37 E H H 129.78 5.04 15.32 22.26 90.99 -101.46 -59.02 -37.16 2.92 0.00 97.07 0.39 0.46 1.74 96.89 0.51 0.00 0.00 0.00 38 D H H 105.60 1.37 20.01 19.94 91.67 53.12 -64.60 -39.29 1.99 0.00 98.01 0.15 0.13 1.57 97.43 0.72 0.00 0.00 0.00 39 H H H 36.49 15.68 16.01 31.83 92.41 48.15 -66.78 -39.83 0.96 0.00 99.04 0.13 0.06 0.65 98.27 0.90 0.00 0.00 0.00 40 S H H 14.72 18.79 14.66 33.41 91.46 53.32 -62.06 -43.04 0.32 0.00 99.68 0.05 0.02 0.18 99.51 0.24 0.00 0.00 0.00 41 E H H 103.32 2.27 23.04 23.85 91.33 50.77 -63.57 -40.71 0.34 0.00 99.66 0.03 0.01 0.23 99.41 0.31 0.00 0.00 0.00 42 L H H 68.97 5.99 21.26 27.88 91.69 50.19 -64.62 -41.52 0.53 0.00 99.47 0.03 0.02 0.42 98.51 1.02 0.00 0.00 0.00 43 I H H 3.16 25.60 12.81 38.78 91.31 50.38 -65.23 -39.93 0.92 0.00 99.08 0.04 0.04 0.77 96.84 2.31 0.00 0.00 0.00 44 S H H 55.32 11.17 18.09 29.52 90.83 56.82 -67.49 -25.36 17.02 0.00 82.98 0.27 0.38 17.00 80.22 2.12 0.00 0.00 0.00 45 K C T 156.64 1.11 20.25 19.49 94.08 53.59 -87.85 -8.46 61.16 0.02 38.82 1.08 1.77 57.80 37.03 2.29 0.00 0.00 0.02 46 M C C 46.10 15.70 8.07 23.33 117.74 103.17 -81.40 142.10 98.57 0.19 1.24 80.94 15.95 1.54 1.09 0.18 0.00 0.04 0.25 47 S C S 92.44 1.51 17.16 18.48 96.72 -153.23 -80.14 -25.73 99.62 0.17 0.21 38.98 59.94 0.74 0.13 0.05 0.00 0.04 0.12 48 T C S 61.34 4.37 18.90 23.73 129.36 35.41 -124.33 156.88 97.96 1.39 0.65 22.33 75.20 0.38 0.60 0.06 0.00 0.18 1.26 49 R H H 82.14 16.77 15.10 31.14 92.39 -113.71 -60.18 -38.52 2.02 0.01 97.98 0.51 0.60 0.91 97.61 0.36 0.00 0.00 0.00 50 L H H 72.16 12.48 19.58 31.76 91.68 54.37 -62.73 -41.08 0.92 0.00 99.08 0.17 0.10 0.53 98.84 0.35 0.00 0.00 0.00 51 E H H 86.73 5.59 23.36 29.10 91.75 49.27 -65.54 -40.14 0.24 0.00 99.76 0.09 0.02 0.11 99.53 0.25 0.00 0.00 0.00 52 R H H 38.70 17.11 20.69 37.28 91.79 50.23 -64.33 -42.61 0.05 0.00 99.95 0.01 0.00 0.03 99.94 0.02 0.00 0.00 0.00 53 I H H 7.40 23.01 21.43 44.06 91.54 49.47 -63.86 -42.80 0.03 0.00 99.97 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 54 A H H 25.46 11.94 24.60 37.08 91.36 51.38 -62.76 -42.19 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 55 N H H 45.20 9.49 26.13 36.50 91.81 50.53 -64.84 -41.93 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 56 F H H 3.53 24.92 22.36 47.06 91.58 50.19 -63.52 -43.98 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 57 L H H 5.87 23.68 21.98 45.20 91.26 49.73 -63.59 -42.01 0.06 0.00 99.94 0.00 0.00 0.04 99.92 0.03 0.00 0.00 0.00 58 R H H 108.86 6.23 25.78 32.33 91.65 50.92 -64.37 -41.47 0.30 0.00 99.70 0.01 0.00 0.28 99.63 0.08 0.00 0.00 0.00 59 I H H 26.09 13.04 21.45 35.42 91.58 49.83 -64.50 -42.35 0.59 0.00 99.41 0.03 0.02 0.47 99.31 0.16 0.00 0.00 0.00 60 Y H H 6.05 24.81 16.24 41.24 91.78 50.09 -64.82 -41.53 1.28 0.00 98.71 0.18 0.10 0.84 98.14 0.73 0.00 0.00 0.00 61 R H H 101.36 12.39 18.85 30.93 91.57 52.97 -65.00 -36.29 5.59 0.01 94.40 0.54 0.37 4.37 92.88 1.82 0.01 0.00 0.00 62 R H H 152.39 2.55 21.01 23.28 93.80 49.19 -73.51 -29.84 12.28 0.03 87.69 0.84 1.06 10.12 86.44 1.50 0.01 0.01 0.02 63 Q H H 67.06 11.79 15.99 28.17 101.58 40.34 -101.04 2.00 41.33 0.21 58.46 10.57 7.17 24.30 55.22 2.48 0.02 0.06 0.18 64 A H G 31.09 18.48 13.31 30.45 97.77 131.64 -63.66 -35.22 39.56 0.31 60.14 23.58 3.83 10.66 11.62 50.02 0.00 0.17 0.12 65 S H G 77.16 4.60 20.12 25.42 95.27 63.98 -74.57 -16.91 31.19 0.17 68.64 5.95 3.90 19.46 12.79 57.73 0.00 0.09 0.09 66 E H G 85.94 10.37 20.10 30.47 97.25 54.55 -90.32 -2.83 28.90 0.19 70.91 7.32 3.24 16.66 15.36 57.23 0.00 0.10 0.08 67 L H H 8.23 24.85 15.02 39.54 93.88 92.86 -68.50 -33.20 19.66 0.13 80.21 10.59 3.94 5.88 68.55 10.91 0.01 0.05 0.07 68 G H H 25.23 11.49 22.24 34.01 91.90 68.08 -60.15 -42.44 2.35 0.00 97.65 0.73 0.24 1.01 97.40 0.61 0.00 0.00 0.00 69 P H H 46.07 8.08 24.41 33.29 91.61 51.64 -64.85 -39.40 0.63 0.00 99.37 0.14 0.05 0.35 99.02 0.44 0.00 0.00 0.00 70 L H H 4.85 24.12 20.97 44.70 92.03 50.49 -64.20 -43.08 0.17 0.00 99.83 0.03 0.01 0.09 99.61 0.26 0.00 0.00 0.00 71 I H H 12.59 20.43 21.53 41.61 91.05 49.87 -63.17 -42.77 0.10 0.00 99.90 0.01 0.00 0.06 99.85 0.08 0.00 0.00 0.00 72 D H H 70.55 4.92 25.84 30.93 91.60 51.10 -63.70 -42.15 0.17 0.00 99.83 0.01 0.01 0.11 99.77 0.09 0.00 0.00 0.00 73 F H H 26.96 13.64 20.80 35.45 91.83 50.18 -63.88 -43.02 0.29 0.00 99.71 0.02 0.01 0.22 99.57 0.18 0.00 0.00 0.00 74 F H H 6.98 22.19 15.84 38.51 91.68 49.55 -64.30 -42.10 0.69 0.00 99.31 0.05 0.03 0.50 98.86 0.54 0.00 0.00 0.00 75 N H H 71.50 9.83 17.83 28.16 91.96 51.15 -64.43 -40.30 3.09 0.01 96.91 0.27 0.16 2.48 96.26 0.82 0.00 0.00 0.00 76 Y H H 149.61 3.19 18.34 22.01 91.54 52.58 -66.95 -30.14 10.69 0.02 89.29 0.32 0.53 10.03 88.52 0.57 0.02 0.00 0.01 77 N C T 63.74 9.78 13.91 25.02 95.89 47.88 -96.14 8.14 90.24 0.02 9.74 0.42 2.93 86.14 9.98 0.50 0.00 0.00 0.03 78 N C T 127.55 1.87 18.68 20.64 93.44 -112.65 66.24 28.36 99.57 0.01 0.42 1.39 3.40 94.85 0.30 0.06 0.00 0.00 0.01 79 Q C C 31.76 16.19 11.84 28.74 102.92 132.07 -107.30 53.52 99.37 0.20 0.44 98.81 0.48 0.22 0.26 0.04 0.00 0.05 0.13 80 S H H 60.60 7.07 17.24 25.99 93.90 154.26 -65.54 -35.83 6.00 0.01 93.99 3.45 0.69 1.87 93.02 0.96 0.00 0.00 0.01 81 H H H 105.94 4.22 22.45 26.73 91.93 56.17 -64.61 -39.84 1.91 0.00 98.09 0.25 0.17 1.32 96.93 1.33 0.00 0.00 0.00 82 L H H 12.79 19.95 18.42 38.30 92.25 50.00 -65.58 -41.69 0.62 0.00 99.38 0.11 0.05 0.37 98.26 1.20 0.00 0.00 0.00 83 A H H 8.82 18.64 17.20 36.38 91.32 52.77 -61.78 -42.88 0.28 0.00 99.72 0.04 0.02 0.15 99.29 0.50 0.00 0.00 0.00 84 D H H 82.79 2.60 24.74 26.17 91.61 50.51 -63.99 -40.85 0.61 0.00 99.39 0.07 0.03 0.43 98.89 0.58 0.00 0.00 0.00 85 F H H 52.79 10.38 20.66 32.07 91.68 50.59 -64.21 -42.19 1.41 0.00 98.58 0.12 0.08 1.12 97.96 0.72 0.00 0.00 0.00 86 L H H 3.72 25.21 14.63 40.17 91.62 49.35 -65.34 -40.81 3.97 0.02 96.00 0.51 0.37 2.91 95.18 1.01 0.01 0.01 0.01 87 E H H 86.25 10.92 18.74 29.73 91.76 53.38 -64.16 -38.25 14.81 0.09 85.09 2.56 1.60 10.51 82.67 2.55 0.03 0.04 0.05 88 D H H 100.59 1.85 21.07 21.61 93.30 49.99 -72.40 -31.56 34.95 0.17 64.87 4.37 3.88 26.31 61.27 3.95 0.04 0.07 0.10 89 Y H H 73.37 12.30 16.14 28.85 99.36 42.86 -90.12 -18.42 45.81 0.32 53.87 11.95 5.68 28.48 48.14 5.39 0.02 0.14 0.19 90 I H H 35.76 19.06 12.20 30.07 96.33 70.77 -69.03 -35.29 45.07 0.87 54.05 26.94 8.55 10.34 43.60 9.73 0.01 0.39 0.43 91 D H H 102.54 3.16 18.87 22.51 95.65 61.76 -73.06 -20.88 48.44 1.20 50.36 29.14 7.05 12.45 39.18 11.02 0.01 0.64 0.52 92 F H H 104.57 7.27 15.55 23.78 99.91 63.61 -81.96 -14.15 45.82 2.18 52.00 25.24 8.32 12.91 39.05 12.40 0.05 1.20 0.84 93 A C C 38.03 14.43 12.66 26.89 103.01 83.11 -78.24 2.52 52.53 3.11 44.35 34.89 8.72 9.66 34.75 9.07 0.03 1.73 1.16 94 I C C 82.01 10.06 14.51 25.17 106.66 78.21 -90.55 39.48 61.11 3.06 35.83 36.74 9.53 14.99 29.50 6.29 0.03 1.65 1.27 95 N C C 98.74 5.99 15.08 22.12 105.83 70.59 -86.88 66.92 73.56 1.30 25.14 35.34 17.83 20.84 19.04 5.64 0.01 0.59 0.70 96 E C C 85.85 8.98 13.80 23.86 110.56 61.11 -99.17 107.95 94.64 0.45 4.92 74.61 17.56 2.45 3.42 1.46 0.00 0.17 0.34 97 P C G 66.28 10.90 12.21 23.85 97.84 -150.48 -64.14 -22.80 55.40 0.53 44.06 30.95 5.54 18.32 10.17 34.48 0.00 0.30 0.25 98 D C G 106.32 3.25 16.22 20.37 96.12 63.08 -73.03 -18.18 49.96 1.09 48.95 19.91 7.97 22.68 10.88 37.51 0.01 0.61 0.44 99 L C G 74.07 9.92 14.09 24.77 98.93 60.86 -81.05 -12.52 48.99 2.95 48.06 28.01 9.92 12.35 10.25 36.83 0.01 1.77 0.87 100 L C C 49.66 16.56 11.16 26.88 105.62 77.19 -84.76 65.79 72.86 6.08 21.06 52.35 13.28 7.11 8.93 12.35 0.01 3.62 2.34 101 R C C 141.23 4.80 17.46 23.56 114.70 121.87 -93.64 127.11 90.40 6.76 2.84 66.96 21.78 1.97 1.68 1.19 0.00 4.51 1.90 102 P C C 76.31 9.21 14.05 24.11 110.21 -110.49 -69.02 141.19 85.98 9.24 4.78 72.14 9.05 4.68 2.08 2.50 0.00 7.99 1.54 103 V C C 69.05 11.42 12.62 24.52 114.43 -152.42 -98.04 127.27 77.98 16.15 5.87 61.72 10.73 5.05 2.53 3.28 0.00 14.22 2.46 104 V C C 86.90 7.26 14.59 23.05 114.93 -147.61 -95.35 126.28 70.17 25.03 4.80 57.87 8.00 3.45 2.30 2.48 0.00 23.01 2.89 105 I C C 85.23 9.98 12.22 23.17 114.94 -155.65 -97.78 124.23 71.32 24.97 3.71 57.00 10.42 3.12 1.83 1.99 0.00 22.50 3.14 106 A C C 63.14 6.55 12.63 20.78 119.23 -147.61 -97.59 136.00 82.10 16.98 0.92 61.72 18.19 1.82 0.30 0.62 0.00 16.04 1.32 107 P C C 74.75 8.24 11.03 20.61 113.34 -107.80 -68.10 145.85 87.17 11.34 1.49 72.81 9.50 4.12 0.36 1.09 0.00 11.27 0.85 108 Q C C 128.52 3.57 11.54 17.02 111.43 -132.67 -88.99 125.98 91.21 7.77 1.03 88.58 1.11 2.24 0.32 0.46 0.00 5.56 1.73 109 F C C 117.47 8.47 11.11 20.47 111.45 -144.30 -92.57 115.24 99.88 0.12 0.00 99.86 0.05 0.01 0.00 0.00 0.00 0.06 0.01