# 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 111.82 5.68 11.99 19.07 114.21 -153.84 -90.84 133.94 99.91 0.04 0.05 99.83 0.07 0.05 0.02 0.00 0.00 0.02 0.01 1 A C C 70.47 4.52 9.72 15.94 109.67 -127.99 -77.02 140.74 76.47 0.82 22.70 70.00 1.42 7.06 15.37 5.29 0.00 0.40 0.47 2 S C C 78.99 3.04 9.96 14.55 103.01 -121.83 -78.30 -10.00 63.01 1.11 35.89 38.41 10.78 13.75 21.87 14.03 0.00 0.51 0.65 3 Q C C 127.76 3.13 10.88 15.34 99.97 58.57 -81.11 -3.66 56.07 0.94 42.99 28.34 12.58 15.53 27.39 15.15 0.02 0.41 0.57 4 S C C 61.55 5.73 11.07 18.41 104.38 76.96 -85.05 17.08 57.13 0.89 41.98 33.12 11.28 12.91 29.97 11.79 0.01 0.36 0.56 5 Q H H 106.26 4.13 13.51 18.75 99.92 112.55 -75.15 -21.32 45.57 0.35 54.08 20.21 13.31 11.68 52.12 2.35 0.01 0.11 0.20 6 G H H 31.21 6.51 14.23 21.98 98.29 50.91 -54.86 -46.38 29.46 0.19 70.35 10.97 7.91 10.57 68.77 1.60 0.01 0.06 0.11 7 I H H 82.58 6.46 14.12 21.73 93.37 48.98 -66.50 -38.74 6.48 0.05 93.47 2.88 1.06 2.52 92.59 0.91 0.00 0.02 0.02 8 Q H H 104.00 2.73 16.78 19.62 92.10 51.97 -64.66 -40.26 2.04 0.02 97.94 0.87 0.26 0.84 97.47 0.55 0.00 0.01 0.00 9 Q H H 90.43 4.18 16.77 21.63 92.29 50.45 -65.52 -40.47 0.99 0.01 99.01 0.36 0.11 0.44 98.77 0.32 0.00 0.00 0.00 10 L H H 62.67 9.07 15.31 25.42 92.23 50.84 -64.79 -41.58 0.52 0.00 99.48 0.14 0.05 0.25 99.42 0.14 0.00 0.00 0.00 11 L H H 81.00 4.13 18.34 22.74 91.84 50.54 -64.16 -41.00 0.41 0.00 99.59 0.08 0.03 0.21 99.59 0.08 0.00 0.00 0.00 12 Q H H 95.73 2.22 19.90 21.09 91.84 50.03 -64.47 -41.25 0.35 0.00 99.65 0.06 0.02 0.19 99.68 0.05 0.00 0.00 0.00 13 A H H 30.40 8.37 15.50 25.66 91.93 50.91 -63.93 -41.73 0.32 0.00 99.68 0.05 0.02 0.17 99.71 0.05 0.00 0.00 0.00 14 E H H 85.73 7.73 17.43 25.81 91.73 50.96 -63.75 -40.97 0.32 0.00 99.67 0.05 0.02 0.18 99.72 0.04 0.00 0.00 0.00 15 K H H 126.34 1.68 20.52 20.58 92.05 49.93 -64.70 -41.33 0.45 0.00 99.55 0.06 0.02 0.25 99.61 0.05 0.00 0.00 0.00 16 R H H 120.82 2.90 19.42 21.92 91.95 49.30 -65.33 -41.18 0.61 0.00 99.39 0.08 0.03 0.36 99.46 0.06 0.00 0.00 0.00 17 A H H 27.08 10.42 14.61 26.56 91.91 51.10 -63.77 -41.34 0.67 0.00 99.33 0.11 0.04 0.36 99.41 0.08 0.00 0.00 0.00 18 A H H 53.94 4.48 17.91 22.93 91.47 51.42 -63.91 -40.80 0.54 0.00 99.46 0.08 0.03 0.29 99.52 0.08 0.00 0.00 0.00 19 E H H 117.40 1.41 20.06 19.39 92.15 49.69 -65.26 -41.29 0.57 0.00 99.43 0.08 0.04 0.32 99.50 0.07 0.00 0.00 0.00 20 K H H 98.44 4.97 17.85 23.32 92.38 48.78 -65.84 -41.10 0.74 0.00 99.26 0.12 0.05 0.41 99.33 0.09 0.00 0.00 0.00 21 V H H 51.62 9.27 15.08 25.41 92.28 49.62 -64.72 -41.75 0.65 0.00 99.35 0.13 0.05 0.34 99.38 0.10 0.00 0.00 0.00 22 S H H 58.15 2.39 18.90 20.58 91.56 50.74 -63.63 -41.45 0.68 0.00 99.32 0.12 0.04 0.37 99.35 0.12 0.00 0.00 0.00 23 E H H 101.61 1.85 19.24 19.77 91.85 49.46 -64.71 -41.18 0.76 0.00 99.24 0.10 0.05 0.46 99.24 0.15 0.00 0.00 0.00 24 A H H 31.62 7.82 14.57 24.25 91.96 51.01 -64.07 -41.29 0.90 0.00 99.10 0.13 0.06 0.53 99.08 0.19 0.00 0.00 0.00 25 R H H 120.95 4.90 16.86 22.45 91.98 51.05 -64.37 -40.77 1.33 0.00 98.67 0.22 0.10 0.79 98.65 0.23 0.00 0.00 0.00 26 K H H 125.84 1.34 18.82 18.28 91.97 49.89 -64.90 -41.40 1.82 0.00 98.18 0.32 0.14 1.08 98.22 0.24 0.00 0.00 0.00 27 R H H 123.65 2.51 17.38 19.73 92.29 49.09 -65.27 -41.00 1.90 0.00 98.10 0.40 0.16 1.06 98.12 0.26 0.00 0.00 0.00 28 K H H 83.45 7.22 14.97 23.34 92.12 50.48 -64.64 -40.62 1.42 0.00 98.58 0.31 0.12 0.75 98.56 0.25 0.00 0.00 0.00 29 N H H 81.04 3.22 16.70 20.26 91.93 50.84 -64.38 -40.30 1.78 0.00 98.22 0.38 0.14 0.97 98.22 0.28 0.00 0.00 0.00 30 R H H 139.50 1.36 18.09 17.82 91.90 49.89 -65.20 -41.02 1.45 0.00 98.55 0.30 0.12 0.79 98.57 0.22 0.00 0.00 0.00 31 R H H 117.99 3.60 16.65 20.81 92.34 49.58 -65.07 -41.08 1.07 0.00 98.93 0.27 0.09 0.52 98.97 0.14 0.00 0.00 0.00 32 L H H 71.30 6.67 14.99 22.76 92.24 50.65 -64.41 -41.16 0.77 0.00 99.23 0.22 0.06 0.35 99.24 0.12 0.00 0.00 0.00 33 K H H 121.28 1.91 18.08 19.21 91.86 50.16 -64.39 -41.28 0.64 0.00 99.36 0.13 0.04 0.33 99.40 0.10 0.00 0.00 0.00 34 Q H H 99.36 1.82 18.39 19.05 91.96 49.41 -65.07 -41.42 0.69 0.00 99.31 0.12 0.05 0.38 99.35 0.10 0.00 0.00 0.00 35 A H H 39.22 6.01 15.09 22.75 92.23 50.74 -64.00 -41.28 0.55 0.00 99.45 0.11 0.04 0.27 99.51 0.07 0.00 0.00 0.00 36 K H H 103.89 5.67 16.84 23.14 92.16 50.90 -64.38 -41.01 0.45 0.00 99.55 0.08 0.03 0.22 99.62 0.06 0.00 0.00 0.00 37 E H H 113.00 1.67 19.06 19.25 91.97 49.64 -64.86 -41.55 0.35 0.00 99.65 0.05 0.02 0.18 99.70 0.04 0.00 0.00 0.00 38 E H H 105.18 2.18 18.74 20.15 91.99 49.13 -64.85 -41.09 0.37 0.00 99.63 0.05 0.02 0.20 99.68 0.05 0.00 0.00 0.00 39 A H H 34.94 7.69 14.82 24.14 92.02 50.28 -64.15 -40.99 0.43 0.00 99.57 0.06 0.02 0.23 99.64 0.05 0.00 0.00 0.00 40 Q H H 93.58 4.37 17.59 22.46 91.66 50.94 -64.00 -40.51 0.34 0.00 99.66 0.04 0.02 0.18 99.72 0.04 0.00 0.00 0.00 41 A H H 56.30 1.94 18.19 19.20 91.53 50.73 -63.66 -41.46 0.26 0.00 99.74 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 42 E H H 94.68 3.20 17.69 21.00 91.91 49.48 -64.82 -41.11 0.32 0.00 99.67 0.04 0.02 0.18 99.71 0.05 0.00 0.00 0.00 43 I H H 62.55 7.40 14.91 23.58 92.24 49.64 -64.59 -41.74 0.24 0.00 99.76 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 44 E H H 103.52 2.61 17.55 20.04 91.76 50.69 -64.16 -41.29 0.19 0.00 99.81 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 45 Q H H 105.80 1.55 18.02 18.17 91.90 49.69 -64.88 -41.13 0.41 0.00 99.59 0.03 0.02 0.29 99.60 0.07 0.00 0.00 0.00 46 Y H H 101.60 4.46 15.84 21.22 92.31 49.57 -64.86 -41.68 0.39 0.00 99.61 0.04 0.02 0.25 99.60 0.08 0.00 0.00 0.00 47 R H H 109.73 5.38 15.71 22.00 92.00 50.99 -64.02 -41.11 0.33 0.00 99.67 0.05 0.02 0.19 99.68 0.06 0.00 0.00 0.00 48 L H H 89.62 2.06 16.97 18.57 91.90 50.34 -64.35 -40.62 0.52 0.00 99.48 0.06 0.03 0.32 99.51 0.08 0.00 0.00 0.00 49 Q H H 97.87 1.93 17.28 18.48 91.94 50.04 -64.94 -41.01 0.57 0.00 99.43 0.08 0.04 0.33 99.48 0.08 0.00 0.00 0.00 50 R H H 108.54 4.65 15.36 21.01 92.06 50.08 -65.27 -40.59 0.62 0.00 99.38 0.10 0.04 0.34 99.44 0.08 0.00 0.00 0.00 51 E H H 93.38 4.04 15.39 20.51 91.93 51.31 -64.59 -40.55 0.57 0.00 99.43 0.10 0.03 0.30 99.49 0.09 0.00 0.00 0.00 52 K H H 124.07 1.47 17.19 17.51 92.26 50.17 -65.07 -40.67 0.47 0.00 99.53 0.06 0.03 0.26 99.55 0.09 0.00 0.00 0.00 53 E H H 103.32 2.30 16.66 18.67 92.25 49.81 -64.98 -40.90 0.65 0.00 99.35 0.08 0.04 0.39 99.37 0.12 0.00 0.00 0.00 54 F H H 88.01 5.39 14.23 21.11 92.64 49.47 -65.23 -40.74 0.75 0.00 99.25 0.12 0.05 0.42 99.28 0.13 0.00 0.00 0.00 55 K H H 115.75 3.30 15.68 19.86 92.01 52.07 -63.72 -40.82 0.66 0.00 99.34 0.11 0.04 0.35 99.40 0.10 0.00 0.00 0.00 56 A H H 62.86 1.83 16.65 17.78 92.22 50.57 -64.37 -40.62 1.16 0.00 98.84 0.20 0.08 0.62 98.94 0.16 0.00 0.00 0.00 57 K H H 114.11 2.59 16.22 18.81 92.72 49.39 -66.39 -40.01 1.73 0.00 98.26 0.35 0.15 0.94 98.28 0.29 0.00 0.00 0.00 58 E H H 78.57 6.05 12.81 20.58 92.98 51.05 -65.74 -39.99 2.51 0.01 97.48 0.64 0.26 1.31 97.24 0.54 0.00 0.00 0.00 59 A H H 61.78 3.16 13.52 17.73 92.70 52.47 -65.46 -38.67 4.52 0.02 95.46 1.14 0.45 2.54 94.78 1.07 0.01 0.01 0.01 60 A H H 82.91 1.25 13.96 14.68 93.90 51.10 -68.71 -34.51 8.15 0.03 91.82 1.18 0.76 5.81 90.55 1.66 0.01 0.01 0.01 61 A H H 72.65 2.99 11.69 15.66 97.75 48.85 -79.10 -31.49 14.83 0.06 85.12 1.57 1.58 11.31 83.79 1.66 0.03 0.02 0.03 62 L H H 115.01 2.94 10.99 15.13 101.40 38.83 -90.12 -6.34 37.62 0.29 62.08 5.78 7.12 25.01 59.99 1.77 0.05 0.09 0.20 63 G C T 50.99 2.36 12.06 15.50 110.33 -109.77 78.67 -144.80 90.98 0.59 8.44 32.55 20.91 38.03 4.49 3.39 0.00 0.24 0.39 64 S C C 80.41 3.47 10.25 15.27 107.36 -25.49 -88.52 87.52 89.43 1.06 9.51 45.89 22.53 21.12 4.22 5.04 0.00 0.44 0.77 65 H C C 139.78 2.55 10.54 14.61 106.60 149.02 -94.77 36.80 81.32 0.97 17.72 41.15 24.02 16.50 11.41 5.79 0.00 0.34 0.79 66 G C T 46.02 3.30 12.62 16.97 111.61 10.51 57.99 -143.68 65.64 0.45 33.91 17.23 23.83 25.74 25.15 7.50 0.02 0.16 0.37 67 S H H 78.87 2.70 13.58 16.93 99.46 -16.63 -78.93 -14.12 48.40 0.51 51.09 19.49 12.43 17.83 42.99 6.70 0.03 0.20 0.32 68 C H H 61.73 6.42 12.03 19.96 96.20 71.66 -73.40 -29.05 27.87 0.45 71.67 15.38 5.43 8.53 65.98 4.25 0.01 0.20 0.21 69 S H H 48.65 5.97 13.31 20.97 94.71 63.26 -65.99 -38.71 14.06 0.20 85.73 9.13 2.42 3.39 82.88 2.02 0.00 0.09 0.07 70 T H H 77.67 2.46 16.35 18.66 93.62 52.49 -66.79 -39.77 6.64 0.10 93.26 3.98 1.22 1.92 91.68 1.12 0.00 0.04 0.03 71 E H H 105.39 2.61 16.56 19.13 92.96 51.26 -65.98 -40.92 2.90 0.03 97.06 1.42 0.48 1.05 96.37 0.65 0.00 0.01 0.01 72 V H H 59.63 6.53 14.09 22.18 92.51 50.23 -65.54 -41.37 1.86 0.02 98.13 0.80 0.25 0.73 97.79 0.42 0.00 0.01 0.00 73 E H H 100.28 4.16 16.06 21.16 91.98 50.85 -64.77 -40.98 1.37 0.01 98.62 0.50 0.15 0.59 98.50 0.26 0.00 0.00 0.00 74 K H H 123.46 1.62 17.78 18.31 92.17 49.96 -64.99 -41.10 1.03 0.00 98.97 0.25 0.11 0.50 98.99 0.16 0.00 0.00 0.00 75 D H H 76.20 3.03 17.05 20.25 92.21 49.45 -65.31 -40.49 1.16 0.00 98.84 0.26 0.10 0.57 98.93 0.13 0.00 0.00 0.00 76 T H H 44.87 7.61 14.19 23.47 92.37 50.47 -64.88 -40.97 1.10 0.00 98.90 0.30 0.10 0.49 99.00 0.11 0.00 0.00 0.00 77 Q H H 102.56 2.84 17.28 20.37 92.03 50.85 -64.76 -40.72 0.64 0.00 99.36 0.13 0.05 0.30 99.45 0.07 0.00 0.00 0.00 78 E H H 111.46 1.68 18.12 18.60 92.03 50.10 -65.06 -40.99 0.62 0.00 99.38 0.12 0.04 0.29 99.49 0.06 0.00 0.00 0.00 79 K H H 103.93 4.60 16.94 22.08 92.38 49.95 -65.21 -40.84 0.48 0.00 99.52 0.09 0.03 0.23 99.59 0.05 0.00 0.00 0.00 80 M H H 74.82 7.15 15.12 23.47 92.00 50.38 -64.72 -40.46 0.38 0.00 99.62 0.08 0.02 0.17 99.68 0.05 0.00 0.00 0.00 81 T H H 76.63 2.18 18.20 19.71 91.81 50.68 -64.38 -41.58 0.36 0.00 99.64 0.06 0.02 0.18 99.70 0.04 0.00 0.00 0.00 82 I H H 90.98 2.53 18.04 20.21 91.93 49.77 -64.51 -42.02 0.36 0.00 99.64 0.05 0.02 0.20 99.69 0.04 0.00 0.00 0.00 83 L H H 61.77 7.96 15.38 24.52 92.02 49.73 -64.68 -41.42 0.35 0.00 99.65 0.05 0.02 0.19 99.69 0.05 0.00 0.00 0.00 84 Q H H 88.84 5.07 16.74 22.65 91.84 50.79 -63.92 -41.03 0.38 0.00 99.62 0.05 0.02 0.21 99.66 0.06 0.00 0.00 0.00 85 T H H 72.74 1.81 18.26 18.92 91.94 50.02 -64.27 -41.50 0.51 0.00 99.49 0.05 0.03 0.31 99.52 0.09 0.00 0.00 0.00 86 Y H H 100.32 4.62 16.51 22.07 91.99 49.91 -64.72 -41.23 0.63 0.00 99.37 0.06 0.03 0.42 99.33 0.16 0.00 0.00 0.00 87 F H H 65.25 11.30 12.79 25.04 92.00 51.26 -64.20 -40.60 0.79 0.00 99.21 0.07 0.04 0.56 98.97 0.36 0.00 0.00 0.00 88 R H H 153.64 2.18 16.31 18.81 91.84 51.08 -65.25 -37.65 1.83 0.00 98.17 0.09 0.08 1.55 97.57 0.71 0.00 0.00 0.00 89 Q H H 129.27 1.23 16.71 16.71 92.16 51.58 -68.93 -30.90 10.60 0.00 89.40 0.14 0.34 10.43 88.26 0.82 0.00 0.00 0.00 90 N C T 62.20 8.48 12.27 22.33 101.45 37.57 -110.81 12.21 66.91 0.04 33.05 5.10 2.77 56.07 34.66 1.34 0.00 0.01 0.04 91 R H H 98.32 11.38 11.97 24.11 92.84 106.25 -59.26 -42.38 1.56 0.00 98.44 0.37 0.12 0.79 98.02 0.70 0.00 0.00 0.00 92 D H H 102.54 1.75 17.50 18.88 92.14 52.03 -64.60 -40.06 0.63 0.00 99.37 0.06 0.03 0.42 98.79 0.70 0.00 0.00 0.00 93 E H H 107.14 2.38 18.58 20.40 92.20 49.21 -65.67 -40.73 0.31 0.00 99.69 0.04 0.02 0.19 98.93 0.82 0.00 0.00 0.00 94 V H H 37.48 10.80 14.94 27.09 92.01 49.36 -64.64 -42.74 0.17 0.00 99.83 0.02 0.01 0.10 99.75 0.12 0.00 0.00 0.00 95 L H H 58.61 9.59 16.40 27.03 91.74 50.06 -63.73 -41.47 0.14 0.00 99.86 0.01 0.00 0.08 99.86 0.05 0.00 0.00 0.00 96 D H H 86.61 2.68 19.16 21.72 91.93 50.56 -64.33 -40.82 0.16 0.00 99.84 0.01 0.00 0.10 99.84 0.04 0.00 0.00 0.00 97 N H H 82.50 4.32 18.60 23.25 92.25 49.68 -65.83 -40.42 0.26 0.00 99.74 0.01 0.01 0.19 99.69 0.09 0.00 0.00 0.00 98 L H H 51.31 11.30 16.02 27.96 92.38 50.57 -64.14 -42.16 0.35 0.00 99.65 0.03 0.01 0.24 99.53 0.19 0.00 0.00 0.00 99 L H H 66.69 9.20 16.26 26.38 91.82 50.85 -64.17 -39.37 0.73 0.00 99.27 0.06 0.04 0.54 98.77 0.60 0.00 0.00 0.00 100 A H H 62.60 3.32 17.62 21.38 91.91 52.88 -65.09 -37.82 3.41 0.01 96.58 0.16 0.13 3.10 94.08 2.51 0.00 0.00 0.00 101 F H H 102.39 6.39 16.83 23.81 94.53 49.36 -70.95 -36.78 8.06 0.01 91.93 0.33 0.38 7.47 88.67 3.11 0.02 0.01 0.01 102 V H H 55.44 11.04 14.71 26.12 98.87 41.23 -85.06 -33.14 16.96 0.15 82.90 1.57 1.99 13.75 80.19 2.27 0.09 0.06 0.09 103 C C H 60.32 8.31 13.03 22.49 103.05 45.84 -97.18 -1.27 52.61 4.90 42.49 21.68 11.34 21.63 37.36 3.01 0.30 1.77 2.93 104 D C C 83.69 4.61 12.96 19.02 108.61 107.86 -85.57 90.31 84.11 2.97 12.92 36.10 24.38 23.60 10.85 2.40 0.02 1.39 1.27 105 I C S 119.72 4.28 11.66 17.03 98.12 -87.52 -80.07 -10.76 92.01 1.64 6.35 23.28 47.96 20.97 4.41 1.74 0.01 0.70 0.92 106 R C C 160.49 2.45 13.13 16.70 112.26 66.31 -104.24 107.76 97.90 1.29 0.81 51.47 44.02 2.60 0.33 0.41 0.00 0.56 0.59 107 P C C 81.11 7.79 9.21 18.50 108.33 -143.51 -70.72 127.67 94.81 1.14 4.05 64.83 18.03 11.74 0.91 3.36 0.00 0.69 0.44 108 E C C 131.24 2.60 13.88 17.78 119.76 -145.67 -105.01 138.26 87.10 8.07 4.83 66.31 13.51 6.91 1.62 3.37 0.00 4.44 3.83 109 I C C 91.78 9.02 9.56 19.74 115.25 -125.78 -86.18 133.48 89.51 7.73 2.76 81.02 6.78 1.56 1.31 1.39 0.00 4.26 3.67 110 H C C 83.16 7.29 9.87 19.03 113.76 -115.89 -76.87 141.34 95.44 2.19 2.36 92.16 2.78 1.04 0.97 0.98 0.00 1.08 0.97 111 E C G 150.46 1.65 12.17 14.66 92.81 -123.52 -62.06 -28.40 50.80 0.43 48.77 4.88 5.60 38.75 4.25 46.05 0.00 0.24 0.22 112 N C G 106.51 3.15 11.58 16.05 94.57 61.80 -79.00 -9.86 52.69 0.38 46.93 4.51 5.42 41.07 4.11 44.47 0.00 0.22 0.21 113 Y C G 101.91 9.62 9.11 19.45 103.14 63.23 -95.96 13.89 49.92 3.91 46.18 27.21 10.46 12.77 4.67 41.35 0.01 2.26 1.27 114 R C C 135.64 4.93 10.53 17.38 113.00 112.79 -88.31 124.22 81.57 9.24 9.20 63.73 11.10 6.20 4.89 4.42 0.00 5.43 4.22 115 I C C 111.47 5.23 8.65 15.52 108.12 -160.81 -89.43 83.55 85.97 7.56 6.47 62.21 9.71 13.97 3.47 2.80 0.00 5.21 2.63 116 N C C 127.54 1.66 9.70 12.51 107.84 87.02 -94.90 77.49 95.81 1.56 2.62 77.66 2.60 16.10 1.19 0.88 0.00 1.08 0.50 117 G C C 56.70 2.32 11.72 15.32 105.90 -64.98 80.45 2.48 99.97 0.03 0.01 99.69 0.20 0.09 0.00 0.00 0.00 0.01 0.00