# 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 G C C 41.40 4.33 12.53 18.17 120.79 -125.57 84.33 -174.98 99.97 0.01 0.02 99.90 0.05 0.03 0.01 0.00 0.00 0.00 0.00 1 S C C 78.61 2.25 10.86 14.00 111.73 -79.78 -83.02 146.73 65.04 0.40 34.57 57.61 1.29 7.14 30.46 3.09 0.00 0.17 0.23 2 M H H 130.22 2.48 8.62 12.60 98.20 -99.92 -71.32 -28.95 41.25 0.65 58.09 23.03 7.44 12.36 48.09 8.41 0.02 0.30 0.35 3 A H H 75.99 2.27 9.55 13.03 96.70 58.64 -71.28 -29.67 29.27 0.51 70.22 15.74 5.44 8.84 58.26 11.23 0.01 0.25 0.22 4 E H H 130.68 1.91 10.86 13.50 97.13 56.36 -75.34 -25.58 28.42 0.42 71.16 14.72 5.99 8.50 61.48 8.91 0.01 0.19 0.19 5 D H H 82.20 3.54 10.55 15.57 101.17 60.39 -82.82 2.60 35.79 0.24 63.97 23.49 5.52 7.08 59.76 3.92 0.00 0.09 0.14 6 A H H 67.02 2.57 11.26 15.10 93.75 91.52 -63.73 -37.49 8.93 0.04 91.04 4.25 1.67 2.96 89.72 1.37 0.00 0.01 0.02 7 D H H 101.01 1.24 13.13 13.99 92.68 52.10 -66.07 -38.86 5.68 0.03 94.29 2.44 0.82 2.37 93.04 1.30 0.00 0.01 0.01 8 M H H 99.87 2.24 12.57 15.52 92.46 50.52 -65.72 -39.91 3.76 0.02 96.22 1.62 0.49 1.57 95.10 1.19 0.00 0.01 0.01 9 R H H 133.97 2.09 13.35 15.95 92.04 50.60 -64.65 -40.68 2.64 0.02 97.35 1.15 0.36 1.06 96.80 0.62 0.00 0.01 0.01 10 N H H 89.71 1.62 14.41 15.70 92.03 50.23 -65.09 -40.71 2.47 0.01 97.52 1.01 0.31 1.02 97.28 0.37 0.00 0.00 0.00 11 E H H 110.34 1.67 14.70 16.02 92.07 50.25 -64.84 -41.05 1.62 0.01 98.38 0.53 0.17 0.74 98.30 0.25 0.00 0.00 0.00 12 L H H 89.49 2.21 14.14 16.67 91.83 49.90 -64.87 -41.17 0.94 0.00 99.06 0.28 0.09 0.45 99.02 0.17 0.00 0.00 0.00 13 E H H 104.49 1.77 14.76 16.32 91.45 50.29 -64.08 -41.08 0.59 0.00 99.41 0.16 0.05 0.28 99.41 0.10 0.00 0.00 0.00 14 E H H 105.95 1.65 14.87 16.14 91.50 50.20 -64.28 -41.23 0.50 0.00 99.50 0.10 0.03 0.26 99.52 0.08 0.00 0.00 0.00 15 M H H 102.80 1.83 14.56 16.25 91.73 49.94 -64.72 -41.06 0.42 0.00 99.58 0.09 0.03 0.22 99.60 0.06 0.00 0.00 0.00 16 Q H H 105.45 1.92 14.70 16.56 91.72 50.52 -64.64 -40.70 0.41 0.00 99.59 0.08 0.03 0.22 99.62 0.06 0.00 0.00 0.00 17 R H H 140.37 1.47 15.32 16.14 91.88 49.97 -64.85 -41.13 0.52 0.00 99.48 0.10 0.03 0.29 99.52 0.06 0.00 0.00 0.00 18 R H H 136.71 1.57 15.48 16.47 91.68 49.63 -64.68 -41.13 0.54 0.00 99.46 0.09 0.03 0.30 99.49 0.07 0.00 0.00 0.00 19 A H H 55.92 2.45 14.60 17.57 91.58 50.48 -63.51 -41.12 0.47 0.00 99.53 0.09 0.03 0.26 99.56 0.07 0.00 0.00 0.00 20 D H H 87.32 1.82 15.69 17.16 91.62 49.96 -64.65 -40.26 0.64 0.00 99.36 0.11 0.04 0.36 99.41 0.08 0.00 0.00 0.00 21 Q H H 104.56 1.75 15.79 17.08 91.96 50.53 -64.82 -41.28 0.75 0.00 99.25 0.11 0.05 0.44 99.31 0.10 0.00 0.00 0.00 22 L H H 92.47 1.98 15.63 17.38 92.06 49.61 -64.74 -41.41 0.79 0.00 99.21 0.15 0.07 0.43 99.24 0.10 0.00 0.00 0.00 23 A H H 57.26 2.38 15.15 17.76 91.84 50.23 -63.74 -41.49 0.97 0.00 99.02 0.21 0.08 0.51 99.07 0.12 0.00 0.00 0.00 24 D H H 85.78 1.88 15.82 17.35 92.00 49.61 -64.74 -40.74 1.29 0.00 98.70 0.27 0.11 0.72 98.73 0.17 0.00 0.00 0.00 25 E H H 109.99 1.86 15.72 17.27 91.97 50.16 -64.79 -40.63 1.41 0.00 98.59 0.23 0.12 0.87 98.57 0.22 0.00 0.00 0.00 26 S H H 61.25 2.17 15.48 17.58 92.16 50.41 -64.55 -40.99 2.80 0.01 97.19 0.53 0.24 1.68 97.23 0.31 0.00 0.00 0.00 27 L H H 92.29 2.06 15.49 17.41 91.95 50.05 -64.57 -41.07 1.91 0.00 98.09 0.47 0.21 1.00 98.07 0.25 0.00 0.00 0.00 28 E H H 105.54 1.91 15.81 17.40 91.91 50.38 -64.36 -41.12 1.10 0.00 98.90 0.26 0.10 0.56 98.91 0.16 0.00 0.00 0.00 29 S H H 56.83 2.17 15.29 17.57 91.90 50.51 -64.01 -41.22 1.42 0.00 98.58 0.32 0.12 0.77 98.60 0.19 0.00 0.00 0.00 30 T H H 74.55 2.06 15.30 17.23 91.91 50.22 -64.48 -41.12 0.99 0.00 99.00 0.23 0.10 0.52 99.04 0.12 0.00 0.00 0.00 31 R H H 137.40 1.76 15.31 16.80 91.82 50.28 -64.31 -40.90 0.58 0.00 99.42 0.14 0.04 0.29 99.44 0.08 0.00 0.00 0.00 32 R H H 139.19 1.60 15.28 16.43 91.76 49.99 -64.90 -40.95 0.58 0.00 99.42 0.12 0.03 0.32 99.43 0.10 0.00 0.00 0.00 33 M H H 107.02 1.62 15.30 16.40 91.49 50.33 -64.26 -41.30 0.43 0.00 99.57 0.08 0.03 0.24 99.56 0.09 0.00 0.00 0.00 34 L H H 94.07 1.95 15.04 16.91 91.64 50.16 -64.22 -40.80 0.31 0.00 99.69 0.05 0.02 0.17 99.69 0.08 0.00 0.00 0.00 35 Q H H 101.98 1.89 15.13 16.86 91.69 50.60 -64.36 -40.77 0.43 0.00 99.56 0.06 0.02 0.26 99.57 0.09 0.00 0.00 0.00 36 L H H 96.10 1.67 15.32 16.49 91.81 50.31 -64.35 -41.43 0.64 0.00 99.35 0.09 0.04 0.40 99.34 0.13 0.00 0.00 0.00 37 V H H 83.61 1.76 14.99 16.44 91.71 49.76 -64.17 -41.89 0.88 0.00 99.12 0.17 0.07 0.51 99.08 0.17 0.00 0.00 0.00 38 E H H 106.00 1.92 15.26 17.02 91.83 50.06 -64.16 -41.24 1.57 0.00 98.42 0.29 0.14 0.95 98.30 0.31 0.00 0.00 0.00 39 E H H 110.77 1.76 15.42 16.82 92.00 49.71 -64.76 -40.35 3.71 0.01 96.28 0.53 0.31 2.51 96.09 0.55 0.00 0.00 0.00 40 S H H 61.99 2.07 14.88 16.98 92.07 50.47 -65.27 -40.10 8.92 0.03 91.06 2.13 1.00 5.25 90.69 0.90 0.01 0.01 0.02 41 K H H 128.10 1.62 15.56 16.69 92.02 50.33 -65.03 -40.19 8.70 0.03 91.27 2.32 1.18 4.94 90.24 1.27 0.01 0.01 0.02 42 D H H 86.47 1.93 15.65 17.28 92.34 49.55 -65.44 -40.01 9.14 0.03 90.83 2.49 1.11 5.14 89.86 1.37 0.00 0.01 0.02 43 A H H 56.54 2.35 14.73 17.49 91.88 51.09 -64.47 -40.87 8.10 0.02 91.88 1.89 0.97 4.72 91.09 1.31 0.00 0.01 0.01 44 G H H 37.39 2.28 14.92 17.55 92.02 50.85 -63.78 -41.60 9.16 0.02 90.81 2.34 0.98 5.31 90.26 1.08 0.00 0.01 0.01 45 I H H 100.50 1.67 15.52 16.59 92.06 49.53 -64.77 -41.00 3.62 0.01 96.36 1.21 0.47 1.65 96.18 0.48 0.00 0.00 0.00 46 R H H 141.17 1.68 15.49 16.82 91.95 50.34 -64.94 -40.78 1.54 0.01 98.46 0.54 0.16 0.69 98.32 0.28 0.00 0.00 0.00 47 T H H 74.53 2.08 15.02 17.13 91.89 50.00 -64.83 -41.30 0.98 0.00 99.02 0.28 0.09 0.48 98.92 0.22 0.00 0.00 0.00 48 L H H 96.86 1.62 15.42 16.42 91.81 50.08 -64.65 -41.03 0.55 0.00 99.45 0.13 0.05 0.28 99.39 0.15 0.00 0.00 0.00 49 V H H 81.59 1.85 15.06 16.69 91.70 49.86 -64.30 -41.79 0.56 0.00 99.44 0.11 0.04 0.30 99.41 0.12 0.00 0.00 0.00 50 M H H 102.26 1.88 14.96 16.72 91.88 49.90 -64.49 -41.44 0.79 0.00 99.21 0.14 0.06 0.46 99.19 0.14 0.00 0.00 0.00 51 L H H 97.90 1.70 14.93 16.30 91.76 50.06 -64.53 -41.08 0.80 0.00 99.19 0.16 0.07 0.45 99.17 0.15 0.00 0.00 0.00 52 D H H 91.55 1.46 15.39 16.08 91.83 49.63 -64.81 -40.51 1.09 0.00 98.90 0.21 0.08 0.63 98.90 0.17 0.00 0.00 0.00 53 E H H 109.74 1.72 15.37 16.65 91.81 49.54 -65.08 -40.60 1.53 0.00 98.47 0.24 0.12 0.95 98.46 0.23 0.00 0.00 0.00 54 Q H H 100.74 1.91 15.18 16.98 91.67 50.21 -64.64 -40.33 1.66 0.00 98.34 0.27 0.13 1.01 98.35 0.24 0.00 0.00 0.00 55 G H H 34.92 2.26 14.54 17.34 91.60 51.03 -63.68 -40.96 2.19 0.00 97.81 0.46 0.17 1.25 97.80 0.31 0.00 0.00 0.00 56 E H H 105.01 1.76 15.39 16.75 91.73 50.58 -64.74 -40.80 1.43 0.00 98.57 0.30 0.11 0.79 98.51 0.28 0.00 0.00 0.00 57 Q H H 104.27 1.64 15.33 16.48 91.69 50.46 -64.61 -41.11 1.15 0.00 98.85 0.25 0.09 0.64 98.76 0.24 0.00 0.00 0.00 58 L H H 95.57 1.66 14.75 16.07 91.79 49.86 -64.63 -40.52 0.84 0.00 99.16 0.20 0.07 0.45 99.10 0.19 0.00 0.00 0.00 59 E H H 112.68 1.62 14.93 16.17 91.75 50.55 -64.55 -40.56 0.66 0.00 99.34 0.14 0.05 0.36 99.33 0.13 0.00 0.00 0.00 60 R H H 142.10 1.43 15.17 15.94 91.85 50.18 -64.91 -40.65 0.78 0.00 99.22 0.15 0.06 0.47 99.18 0.15 0.00 0.00 0.00 61 I H H 98.71 1.59 15.08 16.12 91.83 49.59 -64.61 -41.49 0.70 0.00 99.30 0.15 0.06 0.39 99.27 0.13 0.00 0.00 0.00 62 E H H 108.95 1.72 15.22 16.56 91.75 49.85 -64.52 -40.93 0.85 0.00 99.14 0.17 0.07 0.47 99.15 0.14 0.00 0.00 0.00 63 E H H 107.17 1.70 15.41 16.66 91.63 50.03 -64.47 -40.86 1.65 0.00 98.35 0.19 0.10 1.15 98.35 0.21 0.00 0.00 0.00 64 G H H 36.51 2.08 14.98 17.22 91.84 50.48 -63.77 -41.21 3.15 0.00 96.85 0.32 0.18 2.28 96.95 0.27 0.00 0.00 0.00 65 M H H 103.29 1.81 15.11 16.68 91.91 50.24 -64.90 -40.31 1.43 0.00 98.57 0.34 0.13 0.75 98.52 0.26 0.00 0.00 0.00 66 D H H 83.33 1.81 15.26 16.83 91.81 50.80 -64.63 -40.50 1.11 0.00 98.89 0.27 0.09 0.58 98.86 0.20 0.00 0.00 0.00 67 Q H H 105.92 1.59 15.52 16.48 91.90 50.52 -64.98 -40.95 1.12 0.00 98.87 0.22 0.09 0.66 98.83 0.20 0.00 0.00 0.00 68 I H H 94.08 1.90 15.05 16.80 91.84 49.94 -64.46 -41.41 0.78 0.00 99.21 0.19 0.07 0.41 99.20 0.14 0.00 0.00 0.00 69 N H H 87.00 1.92 14.93 16.80 91.76 50.19 -64.38 -40.67 0.86 0.00 99.14 0.19 0.06 0.46 99.16 0.13 0.00 0.00 0.00 70 K H H 117.36 1.60 15.47 16.48 91.76 50.38 -64.60 -40.92 0.88 0.00 99.12 0.15 0.06 0.51 99.13 0.14 0.00 0.00 0.00 71 D H H 83.45 1.82 15.22 16.80 91.87 49.96 -64.88 -40.58 0.99 0.00 99.01 0.19 0.07 0.55 99.05 0.14 0.00 0.00 0.00 72 M H H 102.96 2.08 14.68 16.90 91.89 50.52 -65.18 -40.02 1.02 0.00 98.98 0.22 0.08 0.53 99.01 0.16 0.00 0.00 0.00 73 K H H 121.09 1.69 15.35 16.65 92.03 50.40 -64.80 -40.62 1.14 0.01 98.85 0.24 0.09 0.62 98.85 0.19 0.00 0.00 0.00 74 E H H 106.15 1.75 15.45 16.78 91.98 49.79 -64.95 -40.52 1.39 0.01 98.61 0.27 0.12 0.80 98.53 0.27 0.00 0.00 0.00 75 A H H 53.31 2.74 13.63 17.37 91.90 50.89 -64.13 -40.53 2.19 0.01 97.81 0.46 0.20 1.28 97.50 0.56 0.00 0.00 0.00 76 E H H 110.31 2.24 14.25 16.92 92.16 51.00 -65.08 -39.65 3.74 0.01 96.25 0.69 0.34 2.41 95.27 1.28 0.01 0.00 0.01 77 K H H 132.16 1.54 14.34 15.65 92.56 50.71 -66.01 -38.27 8.03 0.02 91.95 0.91 0.64 6.07 90.13 2.22 0.01 0.01 0.01 78 N H H 102.70 1.91 13.18 15.44 93.98 49.57 -70.30 -30.53 18.47 0.06 81.48 2.29 1.56 14.19 79.04 2.86 0.02 0.02 0.04 79 L H H 100.01 3.32 11.58 16.24 95.88 54.76 -77.43 -19.33 32.20 0.49 67.32 13.84 5.47 14.20 60.42 5.54 0.03 0.20 0.28 80 T H H 87.30 2.81 12.43 16.28 98.08 68.32 -75.48 -27.08 42.81 0.61 56.57 16.49 7.19 20.08 49.50 6.09 0.04 0.28 0.34 81 D H H 91.64 2.64 12.57 16.02 100.46 54.56 -82.70 -7.89 47.28 0.60 52.12 18.35 7.58 22.20 42.13 9.05 0.04 0.26 0.38 82 L H H 99.58 3.52 11.28 16.40 94.88 69.27 -67.16 -30.99 30.20 0.38 69.42 7.10 4.48 16.89 46.58 24.48 0.08 0.19 0.21 83 G H H 39.20 3.97 11.60 17.27 93.24 59.04 -67.30 -29.54 28.07 0.37 71.55 5.49 3.38 16.77 45.15 28.77 0.07 0.20 0.18 84 K H H 134.45 2.45 12.37 15.79 95.06 57.44 -74.45 -28.41 25.60 0.93 73.47 6.62 4.08 13.25 42.04 33.04 0.10 0.53 0.34 85 F H H 138.94 2.94 11.18 15.22 96.63 52.63 -76.15 -27.29 35.14 2.50 62.35 7.70 6.50 19.62 38.26 24.76 0.59 1.44 1.13 86 C C T 85.86 3.08 10.82 15.02 100.21 41.62 -94.41 -0.74 58.58 3.19 38.23 9.63 11.88 35.49 24.05 14.93 0.44 1.66 1.93 87 G C T 55.26 2.34 11.37 14.94 99.25 -113.73 77.40 8.04 86.77 1.80 11.43 22.12 18.11 46.87 4.89 6.17 0.01 0.97 0.86 88 L C C 117.46 2.61 10.83 14.68 101.39 106.83 -85.81 -0.86 84.41 5.37 10.21 41.19 22.03 21.75 3.36 6.56 0.01 3.00 2.09 89 C C C 89.73 3.56 10.52 15.67 112.52 95.23 -99.35 111.94 78.96 12.53 8.51 39.22 22.71 18.14 2.99 5.35 0.04 7.62 3.92 90 V C C 93.09 4.69 10.54 17.05 116.69 140.66 -100.12 132.32 80.08 14.72 5.19 50.76 21.25 7.94 2.42 2.98 0.02 8.25 6.38 91 C C C 68.73 5.55 10.05 17.51 115.22 -126.65 -91.96 130.22 93.38 4.85 1.78 76.63 14.90 2.00 1.14 0.68 0.00 2.91 1.75 92 P C C 90.14 3.39 11.66 16.64 100.04 -127.10 -66.26 -13.09 61.37 2.03 36.61 30.27 10.40 21.21 22.54 13.50 0.04 1.15 0.89 93 C C H 86.99 3.51 10.26 15.32 96.79 71.30 -74.81 -19.00 50.55 0.95 48.49 16.20 10.44 24.23 29.59 18.38 0.08 0.45 0.63 94 N H H 108.40 2.71 11.52 15.48 97.26 65.94 -78.39 -16.42 43.27 1.10 55.63 20.77 8.82 13.91 36.10 19.26 0.04 0.52 0.59 95 K H H 124.11 3.87 10.52 16.07 103.79 68.15 -84.57 18.73 44.52 1.41 54.07 24.65 9.20 11.65 39.49 13.58 0.04 0.67 0.71 96 L C H 104.42 4.17 9.50 15.44 106.13 59.40 -82.92 66.07 51.01 1.90 47.10 31.38 9.53 11.46 36.24 9.44 0.04 0.88 1.02 97 K C C 143.63 2.38 10.14 14.01 104.77 -139.66 -82.72 55.95 56.66 1.75 41.59 32.84 11.16 13.93 32.05 8.22 0.03 0.81 0.95 98 S C C 84.14 2.32 9.24 13.11 104.81 54.05 -86.16 41.58 65.77 1.45 32.78 30.23 13.04 23.46 23.29 8.45 0.02 0.68 0.82 99 S C C 84.82 2.59 7.92 12.16 104.40 63.88 -86.17 30.66 74.75 2.37 22.88 37.31 15.45 23.03 14.31 7.49 0.02 1.13 1.26 100 D C C 116.90 1.56 8.21 11.17 108.45 116.63 -87.02 109.52 88.46 1.70 9.85 75.38 2.04 12.26 6.06 2.44 0.00 0.91 0.92 101 A C C 82.70 3.14 9.71 14.59 109.97 -131.90 -80.94 127.11 99.96 0.03 0.01 99.91 0.05 0.02 0.00 0.00 0.00 0.01 0.00