# 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 120.04 4.56 10.01 16.13 112.39 -145.57 -91.02 134.79 99.97 0.03 0.01 99.87 0.10 0.02 0.00 0.00 0.00 0.01 0.00 1 D C C 98.43 2.85 9.38 13.96 115.37 -121.03 -84.88 139.57 99.35 0.08 0.57 98.87 0.32 0.24 0.46 0.03 0.00 0.02 0.05 2 P C C 85.84 3.11 9.29 13.98 111.10 -107.03 -69.08 153.76 65.66 0.14 34.21 55.43 3.02 5.41 34.27 1.75 0.00 0.05 0.08 3 P H H 94.13 2.33 9.79 13.31 101.13 -101.34 -66.38 -37.11 37.72 0.25 62.03 23.28 4.77 9.80 57.17 4.71 0.00 0.11 0.13 4 A H H 66.43 2.85 9.34 13.62 98.59 53.82 -69.70 -34.63 23.02 0.39 76.59 14.29 3.73 6.32 69.05 6.25 0.01 0.19 0.16 5 R H H 146.99 2.24 10.28 13.58 96.15 55.53 -68.88 -35.95 15.11 0.30 84.59 10.01 2.62 3.66 78.77 4.68 0.00 0.16 0.11 6 K H H 126.72 1.99 11.08 13.83 96.27 53.92 -69.22 -36.80 14.98 0.31 84.71 9.88 2.53 3.68 80.71 2.94 0.00 0.16 0.11 7 E H H 117.36 2.07 11.60 14.35 95.82 52.85 -69.02 -38.16 13.06 0.19 86.75 7.97 2.17 3.45 84.11 2.13 0.00 0.09 0.07 8 K H H 124.49 2.11 11.57 14.45 95.49 52.87 -68.89 -37.13 13.97 0.18 85.85 8.30 2.44 3.68 83.37 2.06 0.00 0.08 0.06 9 T H H 79.06 2.46 11.56 14.99 95.29 53.57 -68.95 -37.31 15.39 0.23 84.38 9.33 2.10 4.27 81.80 2.31 0.00 0.12 0.08 10 K H H 130.64 1.80 11.72 14.06 95.06 53.67 -69.21 -36.42 18.46 0.34 81.20 11.14 2.95 5.07 77.88 2.66 0.00 0.17 0.13 11 V H H 93.66 2.42 11.39 14.73 96.17 54.13 -71.96 -35.84 23.36 0.44 76.19 14.35 3.67 5.89 73.31 2.39 0.00 0.21 0.16 12 K H H 136.30 2.15 11.24 14.32 97.54 56.32 -75.27 -24.34 33.21 0.43 66.36 20.24 5.10 7.77 64.23 2.28 0.00 0.18 0.19 13 E H H 123.19 2.55 11.19 14.92 99.26 66.10 -75.78 -24.99 40.60 0.41 58.98 25.89 6.88 7.23 57.40 2.25 0.00 0.16 0.18 14 S H H 76.74 2.12 11.77 14.61 100.74 56.75 -80.73 -9.52 43.87 0.45 55.68 29.44 5.80 7.83 53.86 2.68 0.00 0.19 0.20 15 V H H 85.01 4.01 10.22 15.81 105.66 75.88 -82.07 74.14 46.53 0.41 53.06 26.82 8.45 10.16 51.69 2.52 0.00 0.16 0.20 16 S C H 62.10 2.58 12.11 15.54 108.35 -107.81 -77.89 150.70 53.28 0.36 46.35 36.51 5.85 8.76 46.61 1.95 0.00 0.13 0.20 17 R H H 159.30 1.77 12.09 14.36 94.22 -99.59 -65.00 -37.57 7.87 0.04 92.09 3.88 1.63 2.13 91.65 0.69 0.00 0.01 0.02 18 V H H 98.02 1.21 13.40 13.95 92.61 51.70 -65.32 -40.75 3.49 0.03 96.49 1.50 0.52 1.39 95.92 0.64 0.00 0.01 0.01 19 E H H 103.01 1.90 13.22 15.44 92.07 49.74 -65.01 -40.82 2.50 0.02 97.48 1.17 0.30 1.01 96.85 0.66 0.00 0.01 0.01 20 K H H 112.45 2.16 13.32 16.00 92.09 50.38 -64.70 -40.48 1.78 0.01 98.21 0.75 0.20 0.75 97.86 0.43 0.00 0.00 0.00 21 A H H 60.52 1.77 14.13 15.88 91.64 50.80 -64.17 -41.09 1.89 0.01 98.11 0.59 0.19 0.92 97.95 0.35 0.00 0.00 0.00 22 K H H 128.89 1.23 14.85 15.12 91.86 50.09 -65.44 -40.13 3.36 0.01 96.63 0.94 0.30 1.75 96.66 0.34 0.00 0.00 0.00 23 Q H H 103.35 1.83 14.44 16.21 92.01 50.61 -65.09 -40.60 2.11 0.01 97.89 0.87 0.23 0.81 97.88 0.21 0.00 0.00 0.00 24 K H H 119.92 1.62 14.73 15.99 91.83 50.24 -64.52 -40.85 1.64 0.00 98.36 0.56 0.15 0.73 98.36 0.19 0.00 0.00 0.00 25 S H H 61.23 1.69 15.05 16.30 91.85 50.50 -64.32 -40.96 1.56 0.00 98.44 0.53 0.15 0.69 98.46 0.17 0.00 0.00 0.00 26 A H H 57.75 1.92 14.65 16.61 91.76 50.63 -64.37 -40.83 0.97 0.00 99.03 0.26 0.08 0.44 99.10 0.11 0.00 0.00 0.00 27 Q H H 104.44 1.80 14.76 16.41 91.82 50.45 -64.93 -40.59 0.71 0.00 99.29 0.18 0.06 0.33 99.33 0.10 0.00 0.00 0.00 28 Q H H 103.32 1.54 14.85 15.87 91.72 50.49 -64.51 -40.94 0.78 0.00 99.22 0.18 0.05 0.38 99.28 0.10 0.00 0.00 0.00 29 E H H 109.01 1.51 15.01 15.88 91.65 50.04 -64.77 -40.55 0.95 0.00 99.04 0.22 0.06 0.47 99.12 0.11 0.00 0.00 0.00 30 L H H 91.14 1.83 14.27 16.09 91.77 50.53 -64.46 -40.90 0.63 0.00 99.37 0.17 0.05 0.28 99.40 0.10 0.00 0.00 0.00 31 K H H 117.15 1.61 14.62 15.88 91.74 50.46 -64.36 -41.03 0.60 0.00 99.40 0.14 0.04 0.29 99.44 0.09 0.00 0.00 0.00 32 Q H H 108.09 1.46 14.85 15.68 91.71 49.91 -64.84 -40.78 0.59 0.00 99.41 0.11 0.04 0.31 99.45 0.09 0.00 0.00 0.00 33 R H H 143.21 1.32 14.87 15.43 91.69 50.00 -64.68 -40.62 0.52 0.00 99.48 0.09 0.03 0.27 99.51 0.09 0.00 0.00 0.00 34 Q H H 103.29 1.69 14.68 16.09 91.72 50.19 -64.52 -40.67 0.85 0.00 99.15 0.13 0.05 0.50 99.20 0.11 0.00 0.00 0.00 35 R H H 137.14 1.60 14.92 16.13 91.82 50.24 -65.05 -40.25 1.08 0.00 98.92 0.18 0.07 0.64 98.98 0.13 0.00 0.00 0.00 36 A H H 59.26 1.92 14.82 16.72 91.69 50.91 -64.24 -40.73 0.77 0.00 99.23 0.14 0.05 0.40 99.27 0.13 0.00 0.00 0.00 37 E H H 112.29 1.64 15.34 16.46 91.86 50.25 -64.61 -41.08 0.98 0.00 99.02 0.18 0.07 0.55 99.02 0.18 0.00 0.00 0.00 38 I H H 95.74 1.87 15.07 16.73 91.91 49.16 -64.85 -41.80 0.87 0.00 99.13 0.16 0.06 0.48 99.12 0.18 0.00 0.00 0.00 39 Y H H 131.22 1.67 15.26 16.48 91.86 49.80 -64.77 -41.44 0.94 0.00 99.06 0.20 0.07 0.50 99.05 0.18 0.00 0.00 0.00 40 A H H 57.20 1.93 14.80 16.73 91.49 50.38 -63.71 -41.17 1.34 0.00 98.66 0.29 0.09 0.75 98.66 0.21 0.00 0.00 0.00 41 L H H 94.32 1.77 14.82 16.36 91.80 50.01 -64.82 -40.85 1.20 0.00 98.79 0.25 0.09 0.69 98.76 0.22 0.00 0.00 0.00 42 N H H 90.16 1.94 14.78 16.68 91.91 50.05 -65.33 -40.51 1.37 0.00 98.63 0.35 0.11 0.73 98.66 0.16 0.00 0.00 0.00 43 R H H 142.27 1.45 15.47 16.20 91.88 50.74 -64.99 -41.03 0.92 0.00 99.08 0.19 0.07 0.53 99.08 0.14 0.00 0.00 0.00 44 V H H 85.17 1.71 15.40 16.58 91.97 49.02 -64.60 -42.38 0.73 0.00 99.27 0.15 0.06 0.41 99.27 0.12 0.00 0.00 0.00 45 M H H 101.12 1.90 14.92 16.71 91.96 49.50 -64.84 -41.16 0.80 0.00 99.19 0.20 0.06 0.41 99.20 0.12 0.00 0.00 0.00 46 T H H 69.96 2.18 14.65 17.09 91.73 50.53 -64.08 -41.64 0.92 0.00 99.08 0.22 0.07 0.48 99.08 0.14 0.00 0.00 0.00 47 E H H 108.66 1.56 15.40 16.31 91.79 49.94 -64.71 -41.40 1.01 0.00 98.99 0.20 0.08 0.56 99.00 0.17 0.00 0.00 0.00 48 L H H 92.03 1.73 14.77 16.18 91.74 49.80 -64.58 -41.04 1.26 0.00 98.74 0.27 0.10 0.68 98.69 0.25 0.00 0.00 0.00 49 E H H 104.81 2.03 14.31 16.57 91.70 50.64 -64.22 -40.45 1.97 0.00 98.02 0.39 0.15 1.17 97.88 0.40 0.00 0.00 0.00 50 Q H H 105.19 1.85 14.37 16.21 91.87 50.52 -65.27 -39.71 3.30 0.00 96.69 0.49 0.24 2.20 96.38 0.69 0.00 0.00 0.00 51 Q H H 108.28 1.40 14.89 15.52 91.86 50.67 -65.07 -40.27 5.68 0.01 94.31 0.86 0.52 3.90 93.68 1.03 0.00 0.00 0.01 52 Q H H 103.85 1.73 14.36 15.79 92.89 49.27 -66.17 -39.49 10.84 0.02 89.14 1.72 0.79 7.62 88.75 1.09 0.00 0.01 0.01 53 F H H 110.48 2.38 13.09 16.18 92.26 51.50 -64.48 -41.29 4.97 0.01 95.02 1.56 0.60 2.46 94.33 1.05 0.00 0.00 0.00 54 D H H 86.20 1.79 14.08 15.89 91.95 51.05 -64.25 -40.63 2.48 0.00 97.52 0.67 0.23 1.30 96.92 0.87 0.00 0.00 0.00 55 E H H 112.84 1.29 14.26 14.75 92.13 50.31 -64.87 -40.46 2.31 0.00 97.69 0.35 0.18 1.52 96.75 1.19 0.00 0.00 0.00 56 F H H 118.38 1.66 12.68 14.48 92.48 50.18 -65.32 -40.60 2.28 0.00 97.72 0.34 0.20 1.50 95.94 2.02 0.00 0.00 0.00 57 C H H 74.04 2.20 10.91 14.19 92.32 51.34 -65.99 -38.24 4.15 0.01 95.84 0.64 0.36 2.79 92.47 3.72 0.00 0.01 0.00 58 K H H 144.21 1.26 11.38 12.89 93.16 54.62 -67.28 -33.19 13.46 0.03 86.51 1.16 0.95 10.77 82.02 5.05 0.02 0.02 0.02 59 Q H H 139.29 0.96 10.78 11.66 95.02 55.52 -73.63 -21.68 31.66 0.11 68.24 3.33 3.05 25.18 64.13 4.16 0.03 0.04 0.07 60 M C H 135.90 1.62 9.04 11.59 99.75 62.02 -84.33 -5.38 59.20 0.74 40.06 19.46 15.48 25.84 34.92 3.47 0.04 0.22 0.56 61 Q C C 123.28 2.66 7.77 12.36 115.28 95.86 -91.26 134.12 97.07 0.76 2.17 59.14 34.83 3.02 1.47 0.63 0.00 0.21 0.70 62 P C C 97.55 2.20 7.99 11.88 114.50 -111.56 -70.26 150.34 98.14 0.24 1.63 83.66 10.04 4.49 0.60 0.91 0.00 0.09 0.20 63 P C T 121.45 1.05 8.30 10.36 108.24 -96.92 -67.69 140.98 97.38 0.28 2.34 39.96 13.54 43.73 0.36 2.11 0.00 0.13 0.16 64 G C C 62.95 0.98 8.72 10.27 105.75 22.25 78.98 -3.71 97.79 0.34 1.87 56.16 4.92 36.92 0.29 1.37 0.00 0.18 0.16 65 E C C 147.66 1.89 10.07 13.19 107.70 15.63 -83.83 106.84 99.85 0.11 0.04 99.51 0.31 0.09 0.01 0.01 0.00 0.04 0.02