# 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 L C C 99.50 4.87 11.39 17.70 111.00 -153.92 -88.58 118.62 99.74 0.11 0.15 99.65 0.09 0.09 0.09 0.01 0.00 0.04 0.02 1 V C C 98.09 2.97 9.43 13.91 109.26 -136.09 -85.61 120.23 78.58 3.62 17.80 72.22 1.47 4.90 15.96 1.98 0.00 1.89 1.58 2 W C C 178.97 1.81 8.87 11.79 97.67 -5.33 -69.71 -33.42 65.22 3.47 31.31 46.49 8.13 10.08 26.81 5.11 0.01 1.96 1.39 3 L H H 117.97 1.58 9.58 11.97 94.97 59.91 -68.33 -34.19 24.65 0.94 74.41 10.88 4.36 9.33 51.64 22.84 0.05 0.53 0.37 4 E H H 120.18 2.66 10.35 14.24 94.59 54.76 -70.15 -32.73 15.54 0.29 84.17 3.17 2.14 8.62 57.17 28.60 0.03 0.17 0.09 5 A H H 60.99 3.70 10.30 15.54 94.61 55.27 -71.96 -32.32 19.67 0.21 80.13 2.59 2.21 12.36 52.89 29.71 0.04 0.11 0.09 6 M H H 109.96 2.59 12.01 15.55 95.12 55.73 -71.60 -33.76 17.38 0.14 82.49 3.73 3.05 10.73 73.17 9.12 0.05 0.06 0.09 7 L H H 94.12 2.74 13.11 16.68 95.64 56.84 -67.56 -41.02 5.93 0.02 94.05 1.96 0.69 2.95 92.81 1.57 0.00 0.00 0.01 8 P H H 71.21 3.79 13.31 18.22 93.77 50.41 -66.37 -39.17 2.93 0.01 97.06 0.70 0.21 1.76 96.09 1.23 0.00 0.00 0.00 9 L H H 99.48 2.74 14.10 17.48 93.05 51.67 -65.37 -40.22 0.38 0.00 99.62 0.06 0.03 0.23 99.17 0.51 0.00 0.00 0.00 10 G H H 40.32 2.11 14.74 16.98 92.46 50.51 -64.81 -41.30 0.23 0.00 99.77 0.03 0.01 0.14 99.69 0.12 0.00 0.00 0.00 11 I H H 98.83 2.09 15.48 17.46 92.79 49.03 -65.87 -41.82 0.15 0.00 99.85 0.02 0.01 0.09 99.82 0.06 0.00 0.00 0.00 12 I H H 86.67 3.52 15.02 19.38 92.24 48.93 -64.57 -42.24 0.15 0.00 99.85 0.02 0.01 0.09 99.84 0.04 0.00 0.00 0.00 13 G H H 36.37 3.21 15.28 19.20 91.77 50.06 -63.26 -41.52 0.28 0.00 99.72 0.02 0.01 0.19 99.72 0.05 0.00 0.00 0.00 14 G H H 38.84 2.16 16.15 18.19 92.02 50.54 -63.81 -41.62 0.43 0.00 99.57 0.03 0.02 0.31 99.56 0.08 0.00 0.00 0.00 15 M H H 101.58 2.43 16.21 18.63 92.15 49.87 -65.46 -41.35 0.59 0.00 99.41 0.03 0.02 0.45 99.31 0.18 0.00 0.00 0.00 16 L H H 87.89 3.96 15.53 20.20 92.13 50.11 -64.87 -40.93 0.98 0.00 99.02 0.05 0.04 0.79 98.79 0.32 0.00 0.00 0.00 17 C H H 71.51 2.98 15.73 19.07 92.16 49.73 -64.76 -41.61 2.40 0.00 97.60 0.17 0.14 1.94 97.12 0.62 0.00 0.00 0.00 18 I H H 103.85 1.59 17.65 18.00 92.14 48.96 -65.10 -41.85 3.66 0.01 96.33 0.32 0.28 2.83 95.62 0.93 0.01 0.00 0.00 19 M H H 94.81 2.94 16.61 19.71 92.29 49.31 -65.21 -41.03 6.94 0.02 93.04 0.82 0.64 5.13 92.06 1.32 0.01 0.01 0.01 20 G H H 27.67 6.14 14.27 22.16 92.23 51.34 -64.05 -41.46 11.82 0.03 88.15 1.49 1.07 8.75 87.29 1.36 0.01 0.01 0.02 21 N H H 88.56 2.85 16.83 19.93 92.39 50.16 -65.06 -40.48 8.93 0.03 91.04 1.35 1.03 6.18 89.99 1.40 0.01 0.01 0.02 22 S H H 62.62 1.83 17.60 18.46 92.03 50.25 -64.70 -41.05 6.02 0.02 93.95 1.19 0.66 3.85 93.19 1.09 0.01 0.01 0.01 23 Q H H 86.82 4.10 15.88 20.91 92.32 50.19 -65.04 -40.72 2.51 0.01 97.48 0.52 0.25 1.56 97.01 0.65 0.00 0.00 0.00 24 Y H H 100.09 6.59 14.30 22.34 92.46 51.87 -64.32 -41.41 1.17 0.00 98.83 0.22 0.10 0.72 98.62 0.34 0.00 0.00 0.00 25 Y H H 134.78 1.98 16.49 18.17 92.04 50.16 -64.12 -41.75 0.67 0.00 99.32 0.11 0.05 0.43 99.17 0.24 0.00 0.00 0.00 26 I H H 92.92 1.83 16.47 17.63 91.83 49.00 -64.41 -42.08 0.60 0.00 99.40 0.08 0.05 0.40 99.24 0.24 0.00 0.00 0.00 27 H H H 69.04 5.63 12.80 20.40 92.31 49.36 -65.16 -40.99 1.14 0.01 98.85 0.17 0.10 0.78 98.56 0.38 0.00 0.01 0.00 28 K H H 93.17 5.31 12.14 19.17 92.42 49.93 -65.53 -40.29 1.98 0.02 98.01 0.25 0.18 1.44 97.51 0.60 0.01 0.01 0.01 29 A H H 79.56 1.24 12.91 13.87 93.67 48.61 -68.30 -37.25 5.01 0.02 94.96 0.36 0.40 4.20 94.23 0.78 0.02 0.01 0.01 30 Y H H 168.33 1.21 12.27 13.19 98.23 39.09 -84.08 -34.40 20.18 0.06 79.76 0.66 1.58 17.86 78.79 1.00 0.06 0.01 0.04 31 H H H 130.65 2.15 10.70 13.78 101.86 23.07 -106.72 -1.58 35.17 0.17 64.65 2.32 6.58 25.38 64.68 0.81 0.05 0.04 0.14 32 G C C 55.42 1.76 11.61 14.17 100.58 -118.94 77.46 11.65 99.21 0.27 0.52 51.74 36.48 11.01 0.16 0.34 0.00 0.12 0.16 33 R C C 139.80 3.83 9.92 15.79 122.60 95.61 -108.72 144.14 99.18 0.70 0.12 71.50 27.18 0.49 0.04 0.07 0.00 0.22 0.49 34 P C C 84.01 4.29 11.75 17.76 115.18 -105.45 -68.12 151.11 99.40 0.38 0.22 93.91 4.66 0.84 0.05 0.15 0.00 0.17 0.22 35 K C C 144.78 3.32 12.26 17.50 113.09 -104.68 -72.54 142.44 99.01 0.62 0.37 90.37 7.26 1.32 0.08 0.29 0.00 0.27 0.41 36 H C C 112.04 7.48 9.28 18.17 111.64 -119.32 -85.61 122.11 97.87 1.62 0.51 93.24 3.49 0.92 0.13 0.32 0.00 0.63 1.27 37 I C T 122.84 2.89 10.84 15.46 112.24 -155.64 -89.25 124.72 97.26 1.25 1.49 37.77 19.12 40.35 0.25 1.28 0.00 0.65 0.59 38 G C T 50.88 3.14 11.72 16.14 102.81 15.33 77.52 26.82 98.32 0.50 1.18 30.94 23.59 43.68 0.17 1.14 0.00 0.25 0.23 39 H C C 126.88 4.53 10.17 16.43 101.29 145.01 -94.77 1.80 98.27 0.49 1.25 70.07 25.13 2.96 0.39 0.82 0.00 0.15 0.48 40 D C C 72.81 3.33 11.63 16.38 123.97 117.19 -97.96 163.36 97.41 0.88 1.70 64.69 31.66 0.76 1.52 0.22 0.00 0.15 1.00 41 E H H 143.89 1.78 12.35 15.00 92.12 -103.39 -60.50 -36.24 1.75 0.00 98.25 0.24 0.31 1.03 98.07 0.34 0.00 0.00 0.00 42 W H H 160.57 1.99 13.53 15.80 92.11 52.19 -65.21 -40.25 0.86 0.00 99.14 0.07 0.07 0.63 98.83 0.40 0.00 0.00 0.00 43 D H H 55.41 5.43 12.71 20.08 92.16 49.52 -65.19 -40.61 0.31 0.00 99.69 0.05 0.02 0.19 99.36 0.38 0.00 0.00 0.00 44 V H H 62.74 4.28 14.20 20.11 91.94 50.19 -64.01 -41.65 0.15 0.00 99.85 0.02 0.01 0.09 99.76 0.12 0.00 0.00 0.00 45 A H H 52.08 2.62 15.93 18.96 91.52 50.54 -63.30 -41.66 0.19 0.00 99.81 0.03 0.01 0.11 99.80 0.05 0.00 0.00 0.00 46 M H H 89.86 3.32 15.73 19.70 91.82 50.27 -64.50 -40.88 0.15 0.00 99.85 0.02 0.00 0.09 99.84 0.04 0.00 0.00 0.00 47 E H H 87.71 4.33 14.97 20.48 91.73 50.78 -64.65 -40.65 0.18 0.00 99.82 0.02 0.01 0.10 99.83 0.05 0.00 0.00 0.00 48 R H H 131.64 2.12 16.23 18.27 91.81 50.36 -64.61 -40.67 0.24 0.00 99.76 0.02 0.01 0.15 99.76 0.05 0.00 0.00 0.00 49 R H H 120.23 2.36 15.32 17.88 91.86 50.56 -64.32 -41.17 0.35 0.00 99.65 0.04 0.02 0.21 99.64 0.09 0.00 0.00 0.00 50 D H H 68.79 3.59 13.74 18.57 91.98 50.27 -64.96 -40.31 0.90 0.00 99.10 0.11 0.06 0.57 99.08 0.18 0.00 0.00 0.00 51 K H H 112.70 2.31 13.63 16.58 91.97 50.83 -65.14 -40.10 1.66 0.00 98.34 0.20 0.12 1.13 98.18 0.38 0.00 0.00 0.00 52 K H H 124.22 1.54 12.92 14.47 92.71 50.88 -65.94 -39.17 4.70 0.01 95.28 0.55 0.37 3.39 94.97 0.70 0.00 0.00 0.00 53 V H H 95.70 1.75 11.30 13.51 93.51 48.85 -69.04 -37.85 11.46 0.06 88.49 1.64 1.29 8.15 87.76 1.10 0.01 0.02 0.03 54 V H H 97.33 2.19 9.73 12.97 97.07 47.73 -77.50 -30.25 23.60 0.28 76.12 6.13 4.52 13.32 74.04 1.68 0.04 0.09 0.17 55 E H H 145.22 1.42 9.19 11.54 98.50 57.67 -74.98 -12.93 47.69 0.47 51.84 14.21 7.45 26.18 48.56 3.12 0.03 0.17 0.28 56 K C C 155.17 1.45 8.97 11.45 101.56 73.95 -84.16 7.04 70.38 0.31 29.31 43.19 2.05 23.88 28.43 2.12 0.00 0.13 0.20 57 A C C 75.75 3.84 9.58 15.14 104.91 111.72 -79.71 52.84 99.92 0.01 0.07 99.78 0.07 0.10 0.04 0.00 0.00 0.01 0.00