# 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 96.95 9.60 14.07 24.38 115.86 -149.70 -93.73 129.06 99.92 0.06 0.02 99.86 0.07 0.03 0.01 0.00 0.00 0.03 0.01 1 A C C 66.55 7.46 12.96 21.58 111.39 -127.78 -75.39 142.75 95.11 1.38 3.51 87.41 1.02 7.60 1.78 0.87 0.00 0.82 0.50 2 G C C 48.08 5.69 15.09 21.73 103.78 -99.64 67.33 4.63 92.19 3.39 4.42 57.12 20.42 15.02 2.20 1.97 0.00 1.94 1.33 3 V C C 44.08 13.91 12.37 26.75 118.63 70.75 -98.79 135.68 89.76 6.19 4.06 76.19 11.58 1.97 3.03 1.13 0.00 3.20 2.90 4 K C C 101.87 4.90 21.92 26.63 115.08 -124.57 -79.75 142.50 89.03 6.53 4.44 85.78 2.55 0.87 4.11 0.51 0.00 2.28 3.90 5 A H H 21.66 19.76 12.39 31.56 92.88 -122.32 -59.10 -39.19 6.42 0.05 93.53 1.74 1.04 3.64 89.48 4.05 0.01 0.02 0.02 6 Y H H 130.11 4.35 19.36 24.32 91.76 54.79 -63.96 -38.32 3.67 0.02 96.31 0.49 0.40 2.66 91.38 5.05 0.01 0.01 0.01 7 E H H 96.05 4.00 20.30 24.39 92.07 51.00 -66.39 -38.81 2.43 0.02 97.55 0.37 0.26 1.70 91.61 6.04 0.01 0.01 0.00 8 L H H 7.48 22.76 12.34 34.92 91.77 52.06 -66.17 -38.13 3.02 0.01 96.96 0.39 0.30 2.11 90.55 6.63 0.00 0.01 0.00 9 R H H 97.83 13.62 16.15 29.51 91.29 59.34 -67.33 -25.40 26.19 0.03 73.78 0.58 0.80 25.19 69.09 4.27 0.02 0.01 0.02 10 T C T 108.79 1.14 19.52 18.93 94.67 52.56 -89.26 -6.53 61.28 0.04 38.68 1.28 2.18 57.85 34.97 3.65 0.01 0.02 0.04 11 K C S 57.15 13.68 9.28 23.31 120.96 100.04 -79.76 150.91 99.15 0.27 0.58 30.47 68.00 0.63 0.52 0.07 0.00 0.05 0.25 12 S C C 59.36 2.16 20.17 20.86 120.27 -109.70 -73.04 162.21 98.94 0.78 0.28 98.37 0.53 0.09 0.21 0.02 0.00 0.13 0.65 13 K H H 98.90 13.16 12.15 25.30 91.57 -105.52 -58.31 -38.53 1.25 0.00 98.75 0.16 0.16 0.79 98.57 0.32 0.00 0.00 0.00 14 E H H 139.47 1.27 18.74 18.92 91.47 52.67 -63.91 -40.01 0.69 0.00 99.31 0.06 0.05 0.52 99.01 0.36 0.00 0.00 0.00 15 Q H H 91.54 3.59 19.11 22.92 91.79 48.70 -65.45 -40.31 0.34 0.00 99.66 0.05 0.02 0.22 99.35 0.36 0.00 0.00 0.00 16 L H H 9.93 19.87 13.24 33.52 91.76 50.26 -63.63 -42.84 0.21 0.00 99.79 0.03 0.01 0.11 99.75 0.10 0.00 0.00 0.00 17 A H H 37.54 10.00 18.91 29.86 91.32 51.19 -62.86 -41.75 0.43 0.00 99.57 0.04 0.02 0.27 99.62 0.06 0.00 0.00 0.00 18 S H H 63.48 1.79 23.60 23.03 91.68 50.05 -64.27 -41.44 0.88 0.00 99.12 0.06 0.04 0.63 99.20 0.06 0.00 0.00 0.00 19 Q H H 57.20 10.44 20.52 31.54 92.00 49.40 -65.32 -41.38 0.74 0.00 99.26 0.10 0.05 0.43 99.36 0.06 0.00 0.00 0.00 20 L H H 12.26 20.92 16.26 37.18 91.72 50.80 -64.02 -42.38 0.44 0.00 99.56 0.07 0.03 0.24 99.62 0.04 0.00 0.00 0.00 21 V H H 71.74 4.49 22.60 27.17 91.47 50.35 -63.26 -41.93 0.21 0.00 99.79 0.04 0.01 0.11 99.82 0.03 0.00 0.00 0.00 22 D H H 77.85 2.69 23.49 25.03 91.62 49.58 -64.46 -41.30 0.22 0.00 99.78 0.03 0.01 0.13 99.81 0.02 0.00 0.00 0.00 23 L H H 16.06 17.69 17.16 35.35 91.73 50.36 -64.44 -41.97 0.21 0.00 99.79 0.02 0.01 0.12 99.83 0.02 0.00 0.00 0.00 24 K H H 81.04 13.07 19.75 32.33 91.39 52.18 -62.35 -41.64 0.13 0.00 99.87 0.01 0.01 0.07 99.89 0.01 0.00 0.00 0.00 25 K H H 126.00 1.66 23.72 23.40 91.67 49.84 -64.29 -41.48 0.14 0.00 99.86 0.01 0.01 0.08 99.88 0.01 0.00 0.00 0.00 26 E H H 67.58 8.12 20.73 29.70 91.68 49.34 -65.00 -41.27 0.16 0.00 99.84 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 27 L H H 19.18 18.47 16.19 34.75 91.71 50.74 -63.76 -41.89 0.18 0.00 99.82 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 28 A H H 50.44 4.72 21.30 26.43 91.28 51.49 -63.35 -40.88 0.37 0.00 99.63 0.04 0.01 0.24 99.64 0.07 0.00 0.00 0.00 29 E H H 107.21 2.41 22.46 23.75 91.76 49.99 -65.16 -40.70 0.94 0.00 99.06 0.08 0.04 0.67 99.06 0.14 0.00 0.00 0.00 30 L H H 24.21 14.47 15.85 31.37 91.94 50.84 -64.47 -41.26 1.37 0.00 98.63 0.18 0.09 0.90 98.46 0.36 0.00 0.00 0.00 31 K H H 85.63 10.13 17.97 28.55 91.85 52.10 -63.43 -41.03 2.69 0.01 97.29 0.54 0.23 1.70 96.81 0.71 0.00 0.00 0.01 32 V H H 85.79 1.95 19.41 20.10 92.20 49.78 -65.11 -40.90 5.55 0.06 94.39 1.28 0.64 3.44 93.34 1.23 0.01 0.03 0.03 33 Q H H 75.60 5.23 15.56 22.27 92.53 50.31 -66.30 -38.59 9.92 0.17 89.92 3.37 1.36 5.17 88.33 1.60 0.02 0.08 0.08 34 K H H 76.08 11.59 11.91 24.03 92.91 54.54 -66.28 -35.94 17.36 0.28 82.36 5.89 2.32 9.31 79.86 2.32 0.03 0.13 0.14 35 L H H 114.58 2.89 14.10 17.81 93.62 51.76 -71.22 -29.63 25.10 0.26 74.64 6.09 3.77 15.14 72.71 2.00 0.04 0.11 0.14 36 S H H 82.84 1.54 13.14 14.67 98.67 48.97 -85.65 -15.26 47.63 0.35 52.02 10.07 10.83 26.04 51.09 1.59 0.03 0.11 0.22 37 R C C 147.15 3.62 11.34 16.51 112.12 28.78 -116.99 99.02 95.20 0.28 4.52 51.57 24.40 19.01 3.80 0.91 0.00 0.11 0.22 38 P C C 89.54 4.72 11.17 17.70 104.47 -141.98 -69.45 91.80 98.36 0.23 1.40 87.78 6.34 4.46 0.70 0.47 0.00 0.11 0.14 39 S C C 70.54 4.72 13.34 19.24 105.49 60.90 -88.87 72.54 97.91 0.27 1.82 92.83 3.11 2.32 1.08 0.39 0.00 0.11 0.16 40 L C C 66.53 11.82 11.05 23.28 101.32 112.73 -80.93 -0.42 85.20 0.25 14.55 80.43 2.32 2.38 13.72 0.93 0.00 0.09 0.14 41 P C H 79.94 3.89 16.78 21.33 93.87 66.78 -64.79 -37.39 54.56 0.27 45.16 43.66 3.26 5.48 45.90 1.48 0.00 0.10 0.12 42 K H H 100.71 7.38 18.02 26.05 93.21 51.85 -68.07 -36.46 25.90 0.34 73.76 18.86 2.53 4.66 72.09 1.57 0.00 0.14 0.14 43 I H H 28.78 18.29 14.17 32.06 92.58 55.37 -64.96 -40.62 4.39 0.04 95.56 2.53 0.55 1.21 94.94 0.75 0.00 0.02 0.01 44 K H H 106.73 5.80 20.76 27.08 91.81 53.74 -63.30 -40.09 2.02 0.02 97.96 1.00 0.23 0.73 97.46 0.56 0.00 0.01 0.00 45 T H H 62.58 5.17 22.55 27.87 91.94 50.67 -65.16 -41.42 1.30 0.01 98.69 0.50 0.14 0.56 98.40 0.39 0.00 0.01 0.00 46 V H H 15.30 18.92 18.42 37.26 92.15 49.73 -64.67 -42.83 0.89 0.01 99.11 0.28 0.08 0.40 99.06 0.18 0.00 0.00 0.00 47 R H H 77.14 15.30 21.38 35.62 91.53 51.58 -62.72 -42.18 0.59 0.00 99.41 0.14 0.04 0.28 99.44 0.09 0.00 0.00 0.00 48 K H H 106.11 5.15 25.37 30.62 91.80 49.81 -64.61 -41.06 0.42 0.00 99.58 0.08 0.03 0.22 99.61 0.06 0.00 0.00 0.00 49 S H H 24.73 13.72 22.94 36.67 91.98 49.93 -65.29 -41.54 0.42 0.00 99.58 0.06 0.02 0.25 99.62 0.05 0.00 0.00 0.00 50 I H H 12.08 21.52 21.62 42.54 91.50 49.92 -64.45 -42.96 0.16 0.00 99.84 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 51 A H H 31.72 10.82 24.45 35.75 91.37 51.53 -63.23 -41.43 0.10 0.00 99.90 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 52 C H H 45.71 8.92 25.71 35.25 91.77 50.56 -64.34 -41.84 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 53 V H H 10.85 20.41 21.96 42.27 91.60 50.36 -64.01 -43.17 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 54 L H H 40.59 16.02 23.82 39.07 91.60 50.19 -63.99 -41.97 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 55 T H H 51.34 7.90 24.75 32.97 91.69 50.25 -64.54 -42.10 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 56 V H H 31.19 12.30 22.97 35.78 91.83 49.11 -64.50 -42.96 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 57 I H H 19.95 16.88 20.67 37.75 91.53 48.91 -63.48 -43.00 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 58 N H H 54.28 10.05 21.74 32.08 91.91 50.34 -64.31 -41.33 0.21 0.00 99.79 0.02 0.01 0.12 99.83 0.02 0.00 0.00 0.00 59 E H H 79.62 6.50 21.88 28.77 91.99 50.41 -64.83 -41.41 0.18 0.00 99.82 0.01 0.01 0.12 99.83 0.03 0.00 0.00 0.00 60 Q H H 72.67 8.43 21.07 29.83 92.33 49.54 -65.52 -41.08 0.30 0.00 99.70 0.02 0.01 0.21 99.72 0.04 0.00 0.00 0.00 61 Q H H 62.17 10.80 18.96 30.30 91.95 50.66 -64.07 -41.11 0.45 0.00 99.55 0.04 0.02 0.30 99.58 0.06 0.00 0.00 0.00 62 R H H 103.32 8.18 19.50 28.10 92.10 50.42 -64.34 -41.25 0.38 0.00 99.62 0.04 0.02 0.26 99.59 0.10 0.00 0.00 0.00 63 E H H 92.86 4.18 20.52 24.69 91.94 49.98 -64.95 -40.87 0.34 0.00 99.66 0.03 0.01 0.23 99.62 0.11 0.00 0.00 0.00 64 A H H 39.28 6.07 18.33 25.82 92.18 50.04 -64.85 -40.69 0.60 0.00 99.40 0.05 0.02 0.42 99.32 0.19 0.00 0.00 0.00 65 V H H 40.85 10.43 15.91 27.60 92.13 50.18 -64.94 -40.88 0.99 0.00 99.01 0.08 0.05 0.73 98.67 0.47 0.00 0.00 0.00 66 R H H 111.64 6.77 16.36 24.27 92.28 52.56 -64.32 -40.17 0.97 0.00 99.03 0.08 0.05 0.73 97.93 1.22 0.00 0.00 0.00 67 Q H H 112.10 2.31 17.68 19.60 92.32 50.67 -65.97 -38.23 2.62 0.00 97.38 0.12 0.11 2.29 94.44 3.03 0.00 0.00 0.00 68 L H H 85.27 5.65 15.16 21.90 93.33 50.46 -71.10 -31.28 8.91 0.01 91.08 0.19 0.33 8.71 88.57 2.18 0.01 0.00 0.00 69 Y H H 71.72 10.96 10.24 22.35 99.13 42.72 -101.56 4.63 46.43 0.16 53.41 2.67 3.35 39.21 51.82 2.70 0.05 0.05 0.15 70 K C T 134.92 4.09 10.26 16.82 110.07 125.60 -64.06 129.31 93.28 0.34 6.38 2.89 3.34 87.35 4.73 1.21 0.00 0.13 0.34 71 G C T 67.87 0.42 13.13 11.55 95.91 15.05 80.13 -0.77 96.78 0.10 3.12 2.31 5.95 89.00 1.39 1.23 0.00 0.06 0.07 72 K C S 104.47 5.38 8.07 15.48 123.10 111.09 -99.92 154.01 92.64 0.80 6.55 38.67 40.00 13.46 1.47 5.25 0.00 0.25 0.90 73 K C T 176.69 0.68 12.39 12.38 95.82 -125.95 -72.01 -23.09 94.47 0.45 5.09 6.70 39.28 48.40 0.50 4.63 0.00 0.22 0.27 74 Y C T 135.41 4.67 11.59 17.87 117.68 41.80 -117.98 119.67 92.09 2.53 5.38 19.87 32.04 40.09 0.84 4.60 0.00 1.16 1.39 75 Q C C 85.10 8.79 12.78 22.95 116.90 -144.17 -89.08 134.44 94.04 3.05 2.91 56.18 36.23 1.80 1.72 1.08 0.00 1.17 1.82 76 P C C 41.22 13.23 11.40 25.43 112.35 -107.99 -65.01 144.42 90.97 1.89 7.14 85.39 3.26 3.16 3.03 3.21 0.00 0.90 1.06 77 K C C 140.55 3.72 15.38 20.42 96.08 -138.73 -71.37 -26.52 74.44 1.23 24.33 29.48 20.73 25.12 8.32 14.97 0.01 0.53 0.84 78 D C C 98.28 3.81 15.60 20.22 103.11 49.39 -95.93 40.07 70.53 1.67 27.81 30.87 15.48 24.84 10.88 16.15 0.01 0.76 1.01 79 L C C 58.79 14.67 10.80 24.96 102.95 130.78 -84.27 11.64 67.86 1.73 30.40 43.70 13.01 10.83 16.40 14.25 0.01 0.80 1.01 80 R C C 107.34 9.23 13.48 23.64 115.98 107.27 -89.81 138.58 72.23 1.37 26.40 51.34 12.96 7.74 21.02 5.56 0.00 0.58 0.80 81 A C C 50.38 7.53 13.60 22.64 111.52 -110.12 -69.01 150.15 59.85 0.93 39.23 43.30 8.96 7.42 34.76 4.69 0.00 0.40 0.46 82 K H H 138.97 3.93 14.03 19.39 95.35 -111.56 -62.99 -33.85 38.38 0.61 61.01 21.45 8.44 9.68 54.45 5.41 0.01 0.27 0.28 83 K H H 124.39 3.97 15.99 20.72 95.53 55.87 -71.16 -25.47 34.76 0.63 64.61 20.31 6.59 8.73 59.29 4.52 0.01 0.29 0.26 84 T H H 32.60 12.49 12.84 26.22 96.44 57.53 -72.58 -37.04 27.15 0.47 72.39 18.47 4.14 5.03 69.37 2.61 0.00 0.20 0.17 85 R H H 104.76 7.68 16.25 24.83 93.41 60.00 -64.04 -40.66 6.17 0.09 93.73 3.22 1.17 2.07 92.02 1.45 0.00 0.05 0.03 86 A H H 48.49 4.03 17.52 22.43 92.27 51.89 -64.05 -41.20 3.21 0.05 96.74 1.24 0.48 1.50 95.06 1.66 0.01 0.03 0.01 87 L H H 58.06 9.78 16.06 26.86 92.34 50.08 -65.72 -40.32 2.34 0.03 97.64 0.69 0.30 1.25 95.41 2.33 0.00 0.02 0.00 88 R H H 83.73 13.38 14.59 28.01 91.68 52.79 -64.76 -37.11 3.45 0.03 96.52 0.66 0.37 2.21 93.55 3.18 0.01 0.02 0.01 89 R H H 148.65 3.41 17.99 22.09 91.86 55.48 -69.84 -25.37 14.62 0.05 85.33 1.05 1.11 12.12 82.34 3.30 0.03 0.02 0.03 90 A H H 66.27 4.51 16.73 21.88 94.87 59.78 -82.28 -10.27 41.16 0.23 58.62 4.37 4.78 31.62 55.42 3.50 0.06 0.09 0.16 91 L C C 36.42 17.68 8.23 24.87 115.95 103.75 -77.06 138.81 89.45 1.70 8.84 56.73 28.58 3.37 8.41 0.92 0.00 0.39 1.60 92 T C C 64.49 3.71 15.80 20.21 122.43 -130.88 -82.87 164.97 94.03 0.85 5.12 89.50 3.04 1.12 5.13 0.35 0.00 0.22 0.64 93 K H H 151.30 2.25 13.37 17.09 91.91 -102.66 -58.55 -37.38 9.10 0.08 90.82 2.14 1.93 5.41 86.40 4.01 0.03 0.03 0.04 94 F H H 133.97 2.33 14.60 17.42 92.47 53.54 -65.53 -39.10 7.59 0.05 92.36 1.22 1.05 5.30 86.80 5.57 0.02 0.03 0.02 95 E H H 71.99 9.93 12.66 23.58 92.90 49.52 -67.67 -36.89 6.02 0.05 93.93 1.21 0.78 3.80 86.99 7.17 0.01 0.03 0.01 96 A H H 45.49 10.24 12.19 23.46 92.34 56.88 -66.31 -30.52 12.23 0.07 87.70 1.74 1.51 8.53 82.95 5.17 0.03 0.03 0.03 97 S H H 79.56 2.29 16.30 18.72 94.50 55.04 -83.76 -9.26 49.06 0.31 50.63 7.23 5.37 35.96 46.84 4.23 0.04 0.13 0.21 98 Q C C 94.27 6.75 12.31 20.59 112.33 97.82 -80.00 131.82 75.95 1.58 22.47 47.75 16.17 10.66 21.45 2.47 0.01 0.66 0.83 99 V C C 62.25 10.78 10.18 21.78 119.28 -142.53 -99.16 141.27 84.72 1.98 13.30 68.36 11.29 3.13 14.33 1.09 0.00 0.85 0.96 100 T C C 58.82 4.29 13.73 19.47 120.29 -124.28 -80.17 162.93 86.29 1.57 12.14 78.93 4.07 1.93 13.00 0.72 0.00 0.61 0.74 101 E H H 129.59 2.94 13.16 17.48 92.03 -107.74 -59.81 -38.20 5.96 0.06 93.98 2.72 1.17 2.09 93.03 0.96 0.00 0.02 0.02 102 K H H 128.69 2.16 14.27 16.99 92.03 52.75 -64.62 -40.31 3.64 0.04 96.32 1.19 0.53 1.83 95.32 1.10 0.00 0.02 0.01 103 Q H H 70.85 5.98 12.92 20.76 92.13 49.58 -66.03 -39.70 2.43 0.03 97.54 0.92 0.34 1.15 96.40 1.17 0.00 0.02 0.01 104 R H H 113.76 4.64 14.18 20.18 91.97 51.38 -64.00 -41.10 1.92 0.03 98.05 0.71 0.26 0.88 97.46 0.66 0.00 0.01 0.00 105 K H H 109.99 2.73 15.00 18.33 92.08 50.14 -65.23 -39.95 2.45 0.03 97.52 0.82 0.30 1.24 96.97 0.65 0.00 0.01 0.01 106 K H H 103.82 5.14 13.89 20.41 92.35 51.04 -66.15 -38.45 3.11 0.03 96.87 0.90 0.36 1.71 96.14 0.86 0.00 0.01 0.01 107 Q H H 97.84 6.11 13.86 21.14 93.23 50.35 -68.53 -34.54 6.10 0.04 93.87 1.16 0.66 4.05 92.81 1.27 0.01 0.01 0.01 108 I H H 106.18 2.98 15.55 18.88 96.44 43.90 -76.48 -34.39 15.42 0.06 84.52 1.70 1.70 11.70 83.49 1.32 0.02 0.02 0.04 109 A H H 61.10 4.81 14.37 20.13 97.86 43.85 -81.52 -24.60 31.55 0.17 68.28 4.32 5.93 21.82 66.24 1.44 0.05 0.05 0.13 110 F C C 80.65 10.51 10.74 22.14 110.96 48.41 -111.19 93.37 84.54 0.64 14.82 45.13 31.47 8.28 9.36 5.01 0.00 0.21 0.55 111 P C C 73.82 6.02 13.20 20.82 109.06 -161.68 -69.85 138.61 79.50 0.65 19.85 44.68 11.40 23.15 7.46 12.60 0.00 0.31 0.41 112 Q C C 122.83 4.28 13.16 18.88 110.85 -109.15 -85.73 120.80 75.08 2.31 22.61 41.39 12.90 20.80 8.72 13.81 0.01 1.10 1.27 113 R C C 119.52 9.35 9.82 20.07 115.33 -151.48 -90.55 130.97 81.00 2.61 16.39 60.66 12.28 7.95 8.26 8.21 0.00 1.41 1.22 114 K C C 149.66 2.73 13.91 17.59 102.13 -149.89 -84.12 -17.97 80.66 3.31 16.03 50.41 17.96 12.45 8.34 7.64 0.00 1.92 1.28 115 Y C C 124.51 7.03 11.86 20.09 116.31 45.08 -108.98 118.63 76.86 7.64 15.50 49.51 14.75 12.84 7.92 7.50 0.01 5.10 2.36 116 A C C 58.02 8.84 10.59 20.48 116.83 -157.10 -102.07 136.01 75.26 11.88 12.86 56.06 11.68 7.36 7.29 5.67 0.01 9.34 2.58 117 I C C 101.72 6.37 10.29 18.31 116.85 -145.10 -100.62 131.23 72.76 15.95 11.29 55.49 9.50 7.08 7.19 4.45 0.01 12.80 3.48 118 K C C 150.04 2.67 11.07 15.67 115.49 -137.23 -90.98 133.59 85.44 8.59 5.96 79.95 1.46 4.85 3.53 1.61 0.00 6.61 2.00 119 A C C 70.61 6.82 10.76 18.98 112.76 -127.64 -83.19 137.97 99.89 0.09 0.02 99.82 0.07 0.04 0.01 0.00 0.00 0.05 0.01