# 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 A C C 65.45 7.78 15.09 23.71 108.39 -147.30 -80.92 121.44 99.94 0.04 0.02 99.85 0.07 0.04 0.01 0.00 0.00 0.02 0.01 1 G C C 46.40 6.09 14.68 21.89 114.77 -128.80 -81.96 164.68 95.22 3.39 1.39 91.81 1.61 2.14 0.93 0.26 0.00 1.90 1.35 2 V C C 53.09 12.45 12.30 25.45 118.65 -103.97 -100.37 135.97 90.79 6.92 2.29 80.55 8.85 1.42 1.93 0.50 0.00 3.42 3.34 3 K C C 102.01 4.97 20.95 25.97 115.21 -126.36 -81.44 141.41 88.64 8.37 2.99 86.15 2.41 0.67 2.78 0.34 0.00 2.71 4.94 4 A H H 22.21 19.51 12.25 31.12 93.30 -123.78 -59.39 -39.14 6.28 0.04 93.68 1.61 1.02 3.63 89.43 4.26 0.01 0.02 0.02 5 Y H H 130.21 4.30 18.89 23.92 91.61 54.91 -63.93 -38.19 3.57 0.02 96.41 0.46 0.38 2.59 91.20 5.34 0.01 0.01 0.01 6 E H H 97.93 3.78 20.03 23.89 92.06 51.07 -66.52 -38.82 2.26 0.02 97.72 0.34 0.24 1.58 91.76 6.07 0.00 0.01 0.00 7 L H H 8.77 22.16 12.31 34.27 91.78 51.70 -66.45 -38.00 2.85 0.01 97.13 0.36 0.28 2.01 91.01 6.33 0.00 0.01 0.00 8 R H H 97.68 13.60 15.99 29.32 91.36 59.11 -67.26 -25.01 27.61 0.03 72.36 0.57 0.79 26.69 67.65 4.24 0.02 0.01 0.02 9 T C T 108.22 1.18 19.49 19.03 94.89 51.94 -89.56 -6.61 61.63 0.04 38.33 1.22 2.09 58.49 34.60 3.55 0.01 0.01 0.04 10 K C S 57.81 13.50 9.31 23.22 120.92 102.28 -79.64 150.81 99.24 0.26 0.51 30.27 68.33 0.60 0.44 0.07 0.00 0.05 0.24 11 S C C 59.46 2.17 20.10 20.83 119.97 -109.43 -73.20 162.04 98.90 0.87 0.23 98.39 0.48 0.07 0.17 0.02 0.00 0.14 0.72 12 K H H 99.01 13.14 12.11 25.23 91.64 -105.24 -58.28 -38.63 1.17 0.00 98.83 0.14 0.15 0.74 98.68 0.29 0.00 0.00 0.00 13 E H H 139.48 1.26 18.65 18.83 91.50 52.77 -63.98 -39.93 0.62 0.00 99.38 0.05 0.04 0.47 99.10 0.34 0.00 0.00 0.00 14 Q H H 92.22 3.53 19.06 22.77 91.80 48.72 -65.47 -40.30 0.30 0.00 99.70 0.04 0.02 0.19 99.43 0.32 0.00 0.00 0.00 15 L H H 10.20 19.75 13.18 33.35 91.71 50.43 -63.59 -42.84 0.18 0.00 99.82 0.02 0.01 0.09 99.79 0.08 0.00 0.00 0.00 16 A H H 38.12 9.86 18.87 29.69 91.33 51.22 -63.09 -41.73 0.40 0.00 99.60 0.03 0.02 0.25 99.65 0.05 0.00 0.00 0.00 17 S H H 63.35 1.78 23.54 22.95 91.71 50.03 -64.22 -41.51 0.78 0.00 99.22 0.05 0.03 0.55 99.31 0.06 0.00 0.00 0.00 18 Q H H 57.49 10.30 20.44 31.36 91.94 49.38 -65.23 -41.37 0.65 0.00 99.35 0.09 0.04 0.37 99.45 0.05 0.00 0.00 0.00 19 L H H 12.57 20.70 16.16 36.87 91.77 50.87 -63.89 -42.31 0.32 0.00 99.68 0.05 0.02 0.17 99.72 0.04 0.00 0.00 0.00 20 V H H 72.26 4.37 22.53 26.95 91.42 50.32 -63.22 -41.89 0.18 0.00 99.82 0.03 0.01 0.10 99.84 0.02 0.00 0.00 0.00 21 D H H 78.33 2.63 23.41 24.84 91.63 49.58 -64.42 -41.36 0.20 0.00 99.80 0.02 0.01 0.12 99.83 0.02 0.00 0.00 0.00 22 L H H 17.06 17.41 17.11 35.02 91.84 50.34 -64.40 -41.92 0.20 0.00 99.80 0.02 0.01 0.12 99.83 0.02 0.00 0.00 0.00 23 K H H 82.19 12.81 19.65 32.04 91.42 52.23 -62.41 -41.63 0.14 0.00 99.86 0.01 0.01 0.07 99.89 0.02 0.00 0.00 0.00 24 K H H 126.02 1.65 23.62 23.26 91.68 49.89 -64.34 -41.49 0.15 0.00 99.85 0.01 0.01 0.09 99.88 0.02 0.00 0.00 0.00 25 E H H 68.69 7.96 20.67 29.48 91.63 49.35 -64.95 -41.25 0.16 0.00 99.84 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 26 L H H 19.79 18.26 16.13 34.51 91.65 50.74 -63.79 -41.85 0.18 0.00 99.82 0.01 0.01 0.11 99.83 0.03 0.00 0.00 0.00 27 A H H 50.72 4.58 21.30 26.25 91.29 51.41 -63.27 -40.96 0.36 0.00 99.64 0.03 0.01 0.23 99.65 0.07 0.00 0.00 0.00 28 E H H 106.88 2.42 22.45 23.74 91.75 50.03 -65.15 -40.73 0.86 0.00 99.14 0.07 0.04 0.62 99.14 0.13 0.00 0.00 0.00 29 L H H 23.98 14.49 15.79 31.33 91.91 50.84 -64.45 -41.26 1.27 0.00 98.73 0.16 0.08 0.83 98.59 0.34 0.00 0.00 0.00 30 K H H 86.77 9.84 18.06 28.40 91.83 52.04 -63.40 -41.06 2.54 0.01 97.45 0.47 0.21 1.63 97.02 0.65 0.00 0.00 0.00 31 V H H 85.48 1.92 19.42 20.03 92.21 49.76 -65.10 -41.02 5.35 0.06 94.59 1.17 0.61 3.38 93.60 1.17 0.01 0.03 0.02 32 Q H H 73.30 5.34 15.42 22.32 92.58 50.29 -66.18 -38.92 9.52 0.16 90.32 3.21 1.31 5.01 88.74 1.57 0.02 0.07 0.07 33 K H H 76.99 11.42 11.95 23.94 92.84 54.09 -66.18 -36.31 16.56 0.27 83.17 5.54 2.19 8.96 80.72 2.30 0.03 0.13 0.13 34 L H H 115.61 2.71 14.03 17.52 93.45 51.56 -71.00 -29.57 24.17 0.25 75.57 5.67 3.57 14.83 73.65 2.01 0.04 0.11 0.13 35 S H H 82.72 1.54 13.05 14.56 98.61 48.72 -85.48 -15.33 48.20 0.32 51.47 9.29 10.54 27.55 50.65 1.61 0.03 0.10 0.21 36 R C C 151.50 3.36 11.50 16.34 111.92 25.53 -116.98 98.27 95.14 0.26 4.60 49.07 23.17 22.71 3.83 0.92 0.00 0.10 0.20 37 P C C 87.52 4.92 11.02 17.75 105.63 -146.40 -71.19 82.16 98.32 0.23 1.45 87.01 6.79 4.73 0.72 0.50 0.00 0.11 0.14 38 S C C 70.96 4.64 13.40 19.20 105.62 61.40 -87.57 71.32 97.85 0.27 1.89 92.40 3.28 2.50 1.12 0.41 0.00 0.11 0.17 39 L C C 66.61 11.77 10.97 23.16 101.03 116.65 -81.61 -2.83 84.68 0.26 15.06 79.78 2.41 2.43 14.17 0.99 0.00 0.09 0.14 40 P C H 80.09 3.81 16.68 21.15 94.06 69.56 -64.42 -37.57 54.27 0.29 45.44 43.50 3.26 5.47 45.97 1.57 0.00 0.11 0.12 41 K H H 100.74 7.27 17.82 25.78 93.21 52.28 -67.85 -36.25 26.17 0.37 73.46 18.95 2.61 4.85 71.56 1.71 0.00 0.16 0.15 42 I H H 29.50 17.99 13.94 31.56 92.63 55.15 -65.60 -40.43 4.83 0.05 95.12 2.80 0.61 1.33 94.39 0.84 0.00 0.02 0.01 43 K H H 107.57 5.51 20.38 26.45 91.77 54.07 -63.55 -39.99 2.21 0.02 97.77 1.11 0.26 0.79 97.21 0.62 0.00 0.01 0.00 44 T H H 64.01 4.78 22.16 27.05 92.10 50.65 -65.12 -41.47 1.37 0.01 98.62 0.53 0.15 0.60 98.29 0.42 0.00 0.01 0.00 45 V H H 16.85 18.41 18.03 36.38 92.16 49.83 -64.71 -42.71 0.90 0.01 99.09 0.28 0.08 0.41 99.02 0.20 0.00 0.00 0.00 46 R H H 80.39 14.77 20.88 34.74 91.55 51.59 -62.80 -42.12 0.61 0.00 99.38 0.15 0.05 0.30 99.41 0.10 0.00 0.00 0.00 47 K H H 109.67 4.44 24.98 29.40 91.79 49.91 -64.69 -41.00 0.46 0.00 99.54 0.09 0.03 0.23 99.58 0.07 0.00 0.00 0.00 48 S H H 26.90 13.05 22.50 35.69 91.95 49.89 -65.25 -41.63 0.43 0.00 99.57 0.06 0.03 0.24 99.61 0.05 0.00 0.00 0.00 49 I H H 13.23 21.15 21.00 41.62 91.51 49.81 -64.55 -42.92 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 50 A H H 34.35 9.94 24.15 34.59 91.26 51.58 -63.32 -41.44 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 51 C H H 47.95 8.14 25.40 34.16 91.74 50.48 -64.25 -41.87 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 52 V H H 11.43 19.95 21.57 41.48 91.56 50.25 -63.95 -43.22 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 53 L H H 42.29 15.57 23.42 38.30 91.53 50.13 -63.87 -41.91 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 54 T H H 54.20 7.10 24.59 31.97 91.67 50.25 -64.52 -42.05 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 55 V H H 32.51 11.80 22.72 35.13 91.80 49.16 -64.48 -42.97 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 56 I H H 20.88 16.66 20.36 37.25 91.54 48.95 -63.52 -42.97 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 57 N H H 55.42 9.68 21.54 31.57 91.91 50.24 -64.25 -41.31 0.22 0.00 99.78 0.02 0.01 0.13 99.81 0.02 0.00 0.00 0.00 58 E H H 81.91 6.00 21.83 28.17 91.92 50.38 -64.77 -41.39 0.18 0.00 99.82 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 59 Q H H 71.75 8.37 20.78 29.56 92.35 49.52 -65.63 -41.06 0.25 0.00 99.75 0.02 0.01 0.16 99.77 0.04 0.00 0.00 0.00 60 Q H H 62.78 10.67 18.81 30.06 91.95 50.58 -64.03 -41.16 0.35 0.00 99.65 0.03 0.01 0.23 99.67 0.05 0.00 0.00 0.00 61 R H H 105.07 7.69 19.45 27.65 92.12 50.36 -64.36 -41.03 0.34 0.00 99.66 0.03 0.02 0.23 99.64 0.08 0.00 0.00 0.00 62 E H H 94.06 4.01 20.47 24.40 91.93 49.91 -65.02 -40.80 0.32 0.00 99.68 0.03 0.01 0.22 99.65 0.09 0.00 0.00 0.00 63 A H H 38.76 6.15 18.12 25.73 92.14 50.14 -64.84 -40.68 0.59 0.00 99.41 0.05 0.02 0.41 99.35 0.17 0.00 0.00 0.00 64 V H H 41.14 10.25 15.84 27.41 92.19 50.20 -64.95 -40.89 0.90 0.00 99.09 0.08 0.05 0.65 98.79 0.43 0.00 0.00 0.00 65 R H H 112.74 6.56 16.31 24.03 92.29 52.55 -64.41 -40.16 0.90 0.00 99.10 0.07 0.05 0.67 98.03 1.18 0.00 0.00 0.00 66 Q H H 113.26 2.26 17.63 19.46 92.29 50.57 -66.09 -38.38 2.49 0.00 97.51 0.11 0.10 2.19 94.76 2.84 0.00 0.00 0.00 67 L H H 85.85 5.57 15.14 21.81 93.19 50.42 -70.99 -31.44 8.62 0.01 91.37 0.18 0.32 8.47 88.99 2.02 0.01 0.00 0.00 68 Y H H 71.04 10.96 10.20 22.32 99.30 42.60 -102.42 5.33 47.39 0.17 52.44 2.70 3.39 40.02 51.05 2.58 0.05 0.05 0.16 69 K C T 134.17 4.18 10.20 16.85 110.38 125.28 -63.98 130.35 93.55 0.36 6.09 3.06 3.36 87.44 4.46 1.19 0.00 0.13 0.35 70 G C T 67.82 0.43 13.11 11.55 96.25 15.21 80.08 -0.86 96.77 0.11 3.12 2.30 6.17 88.76 1.39 1.25 0.00 0.06 0.07 71 K C S 105.50 5.15 8.21 15.41 123.39 110.38 -101.38 154.04 92.74 0.82 6.44 34.08 44.10 14.11 1.48 5.05 0.00 0.26 0.92 72 K C T 176.73 0.68 12.23 12.26 95.73 -123.61 -71.31 -24.45 94.58 0.42 5.01 5.81 36.84 51.89 0.49 4.50 0.00 0.20 0.26 73 Y C T 137.39 4.62 11.29 17.50 115.64 42.84 -113.94 111.89 92.68 2.13 5.19 18.02 31.29 43.27 0.82 4.41 0.00 1.00 1.17 74 Q C C 83.69 8.70 12.46 22.59 116.97 -148.72 -90.93 134.00 93.46 3.05 3.48 54.29 37.23 2.07 2.14 1.22 0.00 1.12 1.92 75 P C C 42.90 12.83 11.46 25.14 112.00 -107.95 -65.04 143.15 90.09 1.86 8.05 83.54 3.68 3.59 3.59 3.62 0.00 0.89 1.09 76 K C C 140.99 3.77 15.22 20.30 95.94 -137.64 -71.40 -25.69 73.29 1.26 25.45 30.29 19.57 24.23 8.83 15.67 0.00 0.54 0.86 77 D C C 97.16 4.09 15.56 20.45 103.09 54.32 -92.88 23.50 69.45 1.63 28.92 30.77 15.09 24.27 11.40 16.72 0.01 0.75 1.00 78 L C C 61.21 14.30 11.21 25.08 101.96 119.15 -84.88 10.83 67.21 1.75 31.04 41.99 13.49 11.48 16.62 14.58 0.01 0.79 1.03 79 R C C 99.23 10.58 12.79 24.09 116.55 107.54 -87.37 141.41 73.29 1.33 25.39 51.12 14.10 7.84 20.12 5.47 0.00 0.55 0.80 80 A C C 49.27 6.75 14.16 22.48 113.69 -107.69 -68.29 150.26 61.78 0.82 37.40 46.68 8.73 5.88 34.57 3.39 0.00 0.33 0.42 81 K H H 141.94 3.52 13.73 18.81 92.81 -112.83 -59.59 -36.04 26.36 0.38 73.26 13.25 6.11 8.40 67.69 4.19 0.02 0.17 0.17 82 K H H 128.39 3.11 16.32 19.98 93.05 54.83 -68.19 -34.17 22.25 0.35 77.40 10.74 4.30 8.15 72.61 3.88 0.02 0.17 0.14 83 T H H 30.45 12.29 13.27 26.65 93.79 50.43 -68.91 -38.14 17.03 0.30 82.67 10.21 2.83 4.72 79.49 2.48 0.01 0.15 0.11 84 R H H 94.15 8.99 16.04 25.89 92.67 57.21 -63.46 -41.21 4.88 0.08 95.05 2.38 0.86 1.78 93.58 1.33 0.00 0.04 0.02 85 A H H 47.97 3.94 17.94 22.67 92.09 51.73 -63.73 -41.28 2.77 0.05 97.19 1.05 0.39 1.31 95.71 1.49 0.01 0.03 0.01 86 L H H 61.76 9.00 16.77 26.77 92.23 49.94 -65.39 -40.49 2.14 0.03 97.83 0.60 0.26 1.17 95.88 2.07 0.00 0.02 0.00 87 R H H 79.22 13.95 14.72 28.65 91.73 52.23 -65.07 -37.39 3.44 0.03 96.53 0.61 0.36 2.25 93.81 2.94 0.01 0.01 0.01 88 R H H 144.65 4.11 18.17 23.11 91.79 55.85 -69.82 -25.06 15.54 0.04 84.42 1.02 1.09 13.08 81.64 3.10 0.03 0.02 0.03 89 A H H 67.20 4.25 17.17 21.98 95.04 60.40 -81.83 -9.52 43.51 0.22 56.26 4.49 4.75 33.66 53.33 3.46 0.05 0.09 0.16 90 L C C 37.12 17.52 8.39 24.98 116.17 105.00 -76.62 139.71 88.96 1.87 9.17 58.28 26.37 3.51 8.65 0.99 0.00 0.43 1.77 91 T C C 63.91 3.85 15.81 20.41 122.39 -130.98 -82.78 164.96 93.82 0.91 5.27 89.04 3.23 1.13 5.31 0.36 0.00 0.24 0.69 92 K H H 150.99 2.29 13.44 17.20 91.98 -103.31 -58.55 -37.32 8.83 0.08 91.09 2.07 1.90 5.25 86.94 3.74 0.02 0.03 0.04 93 F H H 134.94 2.22 14.75 17.35 92.42 53.50 -65.52 -39.17 7.36 0.05 92.59 1.20 1.03 5.13 87.34 5.23 0.02 0.03 0.02 94 E H H 69.50 10.23 12.62 23.80 92.86 49.41 -67.63 -37.20 5.81 0.05 94.15 1.17 0.75 3.67 87.52 6.84 0.01 0.03 0.01 95 A H H 45.00 10.47 12.17 23.62 92.26 56.82 -66.13 -30.52 11.89 0.06 88.05 1.66 1.45 8.33 83.38 5.09 0.03 0.03 0.03 96 S H H 80.17 2.20 16.44 18.67 94.47 55.98 -83.18 -9.82 48.90 0.29 50.81 6.88 5.23 36.25 47.14 4.14 0.04 0.12 0.20 97 Q C C 95.88 6.54 12.46 20.52 112.11 96.60 -80.34 132.16 76.94 1.47 21.59 47.66 16.93 11.06 20.52 2.44 0.01 0.59 0.81 98 V C C 59.89 11.28 9.92 21.90 119.06 -146.92 -98.03 140.84 86.22 1.93 11.85 70.13 11.37 2.92 12.78 1.01 0.00 0.80 0.98 99 T C C 59.42 4.12 13.98 19.45 120.42 -124.74 -80.10 162.93 87.94 1.56 10.50 81.24 3.78 1.73 11.26 0.64 0.00 0.59 0.76 100 E H H 129.58 3.02 13.14 17.59 91.99 -107.45 -59.71 -38.17 5.69 0.05 94.26 2.51 1.12 2.04 93.35 0.94 0.00 0.02 0.02 101 K H H 128.80 2.16 14.29 16.99 92.01 52.82 -64.64 -40.38 3.51 0.03 96.46 1.10 0.50 1.79 95.50 1.08 0.00 0.02 0.01 102 Q H H 70.75 5.97 12.97 20.80 92.14 49.58 -66.06 -39.58 2.33 0.03 97.64 0.86 0.32 1.12 96.53 1.16 0.00 0.02 0.00 103 R H H 112.46 4.86 14.13 20.38 91.98 51.39 -64.09 -41.11 1.83 0.02 98.14 0.66 0.25 0.85 97.58 0.65 0.00 0.01 0.00 104 K H H 109.81 2.82 14.98 18.46 92.05 50.26 -65.23 -40.00 2.40 0.03 97.57 0.78 0.29 1.24 97.03 0.64 0.00 0.01 0.01 105 K H H 104.94 5.02 13.98 20.35 92.41 51.12 -66.23 -38.50 3.13 0.02 96.85 0.87 0.36 1.75 96.13 0.86 0.00 0.01 0.01 106 Q H H 98.53 6.03 13.97 21.16 93.36 50.22 -68.74 -34.38 6.25 0.03 93.72 1.14 0.68 4.20 92.69 1.26 0.01 0.01 0.01 107 I H H 103.77 3.24 15.46 19.17 97.17 43.43 -78.64 -34.37 16.11 0.07 83.82 1.81 1.82 12.18 82.77 1.33 0.03 0.02 0.04 108 A H H 60.73 4.86 14.33 20.18 98.05 43.90 -81.28 -24.15 33.19 0.19 66.61 4.85 6.49 22.49 64.36 1.54 0.05 0.06 0.15 109 F C C 82.12 10.32 10.83 22.06 110.80 47.00 -110.34 98.65 83.02 0.66 16.32 44.04 30.03 9.30 9.99 5.85 0.00 0.22 0.56 110 P C C 73.92 6.11 12.96 20.67 109.18 -161.05 -70.10 141.37 79.32 0.66 20.02 44.78 11.75 22.50 7.56 12.68 0.00 0.32 0.41 111 Q C C 123.31 4.21 12.95 18.60 111.26 -117.70 -86.15 119.35 75.12 2.54 22.35 42.08 13.04 19.94 8.76 13.60 0.01 1.22 1.35 112 R C C 124.04 8.65 9.78 19.50 115.26 -152.97 -91.52 132.12 81.77 2.81 15.42 61.40 12.55 7.76 8.11 7.35 0.00 1.57 1.26 113 K C C 149.78 2.76 13.36 17.12 103.83 -148.74 -84.68 -13.75 81.37 3.48 15.15 52.04 17.79 11.65 8.26 6.90 0.00 2.08 1.27 114 Y C C 129.55 6.66 11.45 19.32 116.67 45.46 -107.32 120.69 77.73 7.46 14.81 51.56 14.41 11.90 7.95 6.84 0.01 5.04 2.29 115 A C C 60.01 8.30 10.30 19.73 116.61 -156.93 -102.17 135.13 75.90 11.29 12.81 57.29 11.29 7.12 7.46 5.48 0.01 8.89 2.46 116 I C C 104.49 6.02 9.99 17.67 116.59 -145.11 -100.02 130.96 73.29 15.02 11.68 56.13 9.41 7.09 7.55 4.50 0.01 12.07 3.25 117 K C C 151.03 2.53 10.75 15.19 115.48 -139.08 -93.05 133.48 85.49 8.03 6.48 79.87 1.51 4.92 3.96 1.69 0.00 6.14 1.91 118 A C C 71.82 6.44 10.69 18.60 112.78 -127.59 -83.33 138.00 99.90 0.08 0.02 99.82 0.07 0.05 0.01 0.00 0.00 0.04 0.01