# 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 128.55 3.46 10.73 15.87 118.70 -166.09 -101.92 135.58 99.76 0.20 0.05 99.68 0.12 0.05 0.02 0.00 0.00 0.09 0.03 1 A C C 76.91 3.66 7.54 13.11 114.65 -122.19 -82.97 141.46 83.74 3.01 13.25 79.55 1.20 3.97 10.38 2.00 0.00 1.72 1.18 2 K C C 155.13 1.72 8.29 11.56 113.43 -138.71 -92.09 132.31 76.14 3.69 20.17 58.05 9.69 7.37 17.58 3.82 0.00 2.11 1.38 3 R C C 166.74 2.42 7.94 12.07 112.97 -130.25 -88.49 133.58 65.38 3.14 31.48 49.57 8.48 7.05 26.04 5.93 0.01 1.75 1.18 4 K C H 151.25 2.13 9.43 13.03 106.65 -144.33 -83.82 57.47 51.36 1.64 46.99 30.34 10.87 11.47 39.51 6.27 0.03 0.86 0.64 5 N C H 101.41 3.67 9.38 14.70 108.24 60.96 -94.40 95.45 50.66 1.24 48.10 29.90 10.30 11.79 41.12 5.73 0.03 0.59 0.55 6 H H H 122.49 4.19 9.77 15.61 103.44 118.73 -87.87 12.38 37.55 1.05 61.40 25.17 7.25 6.83 55.76 4.08 0.01 0.48 0.43 7 T H H 80.14 3.78 11.08 16.29 106.10 100.12 -85.55 19.09 29.03 0.82 70.16 18.54 5.44 6.74 64.93 3.62 0.02 0.42 0.29 8 N H H 96.76 3.06 12.19 16.22 99.90 55.27 -76.02 -27.61 23.14 0.64 76.22 13.40 4.89 6.57 71.01 3.54 0.02 0.33 0.23 9 H H H 106.41 4.43 11.57 17.42 97.26 69.45 -71.78 -36.44 18.71 0.53 80.76 10.22 3.99 6.16 75.61 3.52 0.03 0.28 0.19 10 N H H 86.63 3.93 12.57 17.75 95.56 53.69 -69.84 -36.43 17.42 0.48 82.09 9.73 3.25 6.01 76.97 3.57 0.02 0.27 0.18 11 Q H H 108.60 2.60 13.30 16.58 94.26 53.71 -68.67 -36.55 15.57 0.40 84.03 7.05 3.02 6.69 79.12 3.71 0.03 0.21 0.16 12 N H H 84.74 3.73 12.80 17.68 95.46 53.01 -72.48 -33.48 20.23 0.54 79.23 9.49 3.77 8.33 74.34 3.54 0.04 0.28 0.22 13 R H H 124.99 3.97 12.51 17.75 96.89 58.87 -70.48 -34.92 20.72 0.70 78.58 10.17 4.36 7.90 73.37 3.53 0.04 0.36 0.27 14 K H H 113.53 3.15 12.84 17.01 94.96 55.89 -67.23 -37.55 20.08 0.90 79.02 10.22 4.24 7.69 72.78 4.18 0.06 0.50 0.33 15 N H H 87.82 3.43 11.89 16.56 94.40 53.90 -68.85 -34.61 21.02 1.01 77.97 11.19 3.67 7.98 70.67 5.47 0.06 0.62 0.34 16 H H H 120.01 3.31 10.85 15.45 96.93 52.05 -73.51 -29.49 22.03 1.19 76.79 10.25 3.96 9.75 67.65 7.16 0.08 0.71 0.43 17 R H H 158.07 2.21 11.21 14.37 98.17 55.02 -78.72 -22.48 27.54 1.04 71.41 7.14 4.89 16.98 62.51 7.19 0.24 0.57 0.48 18 N C H 112.05 2.29 11.36 14.50 100.56 29.40 -91.04 7.15 54.10 0.49 45.41 7.06 7.97 38.57 41.41 4.37 0.09 0.20 0.33 19 G C T 47.16 3.62 10.79 15.89 103.89 -104.92 79.00 8.90 79.95 1.06 18.99 27.16 16.70 36.84 13.07 5.17 0.01 0.46 0.60 20 I C C 100.87 5.06 8.69 15.52 112.06 119.10 -88.57 124.90 63.02 3.83 33.15 39.96 12.82 10.84 24.16 8.41 0.04 1.85 1.92 21 K C C 144.29 2.39 10.45 14.37 113.89 -142.47 -89.63 135.10 57.26 3.24 39.50 33.77 14.13 10.59 29.14 9.25 0.04 1.68 1.39 22 K C C 148.59 2.23 10.30 14.13 114.50 -117.19 -89.20 132.69 59.27 2.16 38.57 36.15 15.24 8.88 28.57 9.16 0.02 1.07 0.92 23 V C C 91.63 5.27 7.79 14.88 112.79 -120.11 -78.37 140.32 62.59 1.91 35.50 47.95 7.24 7.54 26.25 9.12 0.00 1.03 0.87 24 K C C 142.96 2.51 9.00 13.22 112.64 -126.09 -84.35 134.39 67.78 1.55 30.66 48.10 9.34 10.32 20.82 9.78 0.00 0.74 0.90 25 K C C 162.97 1.52 8.61 11.48 102.55 -138.17 -82.23 5.38 75.77 1.03 23.20 41.24 15.20 19.60 14.29 8.52 0.00 0.43 0.71 26 S C C 95.14 1.08 9.22 10.74 105.27 56.75 -91.99 21.65 86.19 0.73 13.07 49.91 17.46 18.86 7.23 5.62 0.00 0.28 0.64 27 A C C 65.78 4.42 7.12 13.38 115.06 105.24 -94.73 133.10 95.96 0.43 3.62 72.73 19.19 3.99 2.17 1.39 0.00 0.16 0.35 28 P C C 99.26 2.58 10.33 14.23 106.85 -121.98 -70.18 132.91 90.22 0.60 9.18 75.85 6.99 7.51 3.07 5.90 0.00 0.31 0.38 29 S C C 78.29 3.12 10.23 14.97 109.88 -105.15 -84.65 131.51 84.11 2.00 13.89 63.75 9.08 10.75 4.18 10.01 0.00 1.03 1.20 30 F C C 119.17 6.91 8.03 16.18 100.69 -162.53 -92.12 3.00 83.92 2.71 13.37 63.41 9.29 10.37 3.61 10.06 0.00 1.25 2.01 31 R C T 174.29 1.87 10.06 13.76 109.46 126.06 -69.54 126.65 92.75 1.49 5.76 18.98 11.25 62.79 2.11 3.15 0.00 0.75 0.98 32 G C T 65.21 0.66 12.57 12.16 97.66 16.98 81.76 0.48 95.36 0.78 3.86 15.48 15.16 64.93 1.03 2.58 0.00 0.46 0.36 33 L C C 66.98 9.09 6.36 16.47 119.20 118.88 -83.51 145.74 94.27 4.35 1.38 61.21 31.09 1.02 0.85 0.44 0.00 0.98 4.42 34 N C C 90.88 2.32 12.53 15.51 113.17 -108.98 -71.34 144.24 98.99 0.61 0.40 97.80 1.17 0.13 0.30 0.04 0.00 0.18 0.38 35 H H H 138.70 2.38 10.99 14.89 92.58 -119.04 -60.01 -36.00 2.82 0.01 97.17 0.46 0.30 1.81 96.88 0.55 0.00 0.00 0.00 36 K H H 140.08 1.23 13.41 14.33 92.08 53.57 -64.88 -40.14 1.32 0.00 98.68 0.17 0.10 0.91 98.31 0.51 0.00 0.00 0.00 37 Y H H 113.80 3.10 13.26 17.44 92.26 48.84 -65.97 -40.85 0.41 0.00 99.59 0.09 0.03 0.23 99.25 0.40 0.00 0.00 0.00 38 L H H 71.02 4.54 13.08 19.31 91.78 50.74 -64.17 -41.90 0.16 0.00 99.84 0.03 0.01 0.08 99.78 0.10 0.00 0.00 0.00 39 R H H 129.59 2.15 15.86 18.02 91.71 50.14 -64.05 -41.61 0.20 0.00 99.80 0.03 0.01 0.12 99.79 0.05 0.00 0.00 0.00 40 N H H 82.24 2.64 15.98 18.89 91.90 49.46 -64.84 -40.50 0.39 0.00 99.60 0.04 0.02 0.27 99.61 0.06 0.00 0.00 0.00 41 M H H 86.12 3.81 15.96 20.72 91.98 50.40 -64.52 -40.99 0.39 0.00 99.61 0.05 0.02 0.24 99.58 0.10 0.00 0.00 0.00 42 L H H 78.07 3.23 16.47 20.22 91.81 50.45 -63.97 -41.91 0.41 0.00 99.59 0.06 0.02 0.26 99.53 0.13 0.00 0.00 0.00 43 Y H H 115.69 2.62 16.62 19.37 91.90 49.65 -64.35 -41.79 0.50 0.00 99.50 0.08 0.03 0.31 99.40 0.18 0.00 0.00 0.00 44 S H H 50.80 3.40 14.94 19.42 91.70 50.96 -63.73 -41.45 0.64 0.00 99.36 0.11 0.04 0.39 99.24 0.22 0.00 0.00 0.00 45 R H H 134.88 2.10 16.39 18.36 92.02 50.13 -64.80 -41.04 1.16 0.00 98.84 0.15 0.07 0.80 98.60 0.38 0.00 0.00 0.00 46 K H H 120.53 1.86 16.39 17.74 92.17 49.66 -64.97 -41.02 3.05 0.01 96.94 0.31 0.20 2.27 96.70 0.51 0.00 0.00 0.00 47 Y H H 121.70 2.78 14.92 18.26 93.21 48.48 -66.99 -39.63 9.65 0.05 90.31 1.77 1.08 6.41 89.94 0.74 0.01 0.02 0.02 48 N H H 83.97 3.18 14.62 18.64 92.95 51.51 -66.01 -40.49 17.71 0.17 82.12 6.68 2.39 8.35 81.33 1.09 0.01 0.07 0.08 49 N H H 99.63 1.76 15.89 17.17 93.14 49.66 -66.16 -39.94 14.42 0.15 85.43 4.89 2.12 7.20 84.34 1.32 0.01 0.06 0.06 50 I H H 99.99 1.89 15.61 17.11 93.03 48.99 -66.49 -40.96 11.70 0.13 88.18 3.89 1.86 5.82 86.96 1.36 0.01 0.05 0.05 51 G H H 32.94 3.25 14.33 18.71 93.77 50.27 -63.92 -42.77 11.43 0.11 88.46 4.99 1.49 4.63 87.77 1.03 0.00 0.04 0.04 52 R H H 132.28 2.32 15.13 17.70 92.51 50.01 -65.07 -41.23 3.74 0.04 96.21 1.54 0.57 1.66 95.48 0.71 0.01 0.02 0.01 53 A H H 60.09 1.95 15.39 17.18 91.95 50.38 -64.11 -41.59 2.12 0.03 97.85 0.78 0.30 1.04 97.27 0.58 0.01 0.02 0.01 54 A H H 58.01 1.97 15.04 16.97 92.07 50.14 -64.06 -41.24 1.92 0.03 98.05 0.69 0.26 0.95 97.52 0.55 0.01 0.02 0.01 55 Y H H 121.42 2.30 13.97 16.75 92.16 49.82 -65.06 -41.12 1.80 0.03 98.17 0.60 0.23 0.92 97.69 0.51 0.01 0.02 0.01 56 E H H 112.71 1.80 13.84 15.76 92.05 50.11 -64.90 -40.51 2.07 0.03 97.90 0.59 0.25 1.14 97.44 0.54 0.01 0.01 0.01 57 A H H 67.62 1.51 13.24 14.60 92.10 50.53 -64.95 -39.93 4.11 0.03 95.86 0.92 0.46 2.54 95.27 0.77 0.01 0.02 0.01 58 E H H 125.51 1.36 12.62 13.87 93.21 49.86 -67.43 -37.91 10.50 0.06 89.44 1.91 1.22 7.14 88.64 1.03 0.01 0.02 0.03 59 H H H 128.42 1.67 11.17 13.36 94.68 51.09 -72.65 -31.46 22.88 0.16 76.96 5.56 3.74 13.92 74.93 1.66 0.03 0.06 0.10 60 G H H 45.49 2.45 9.43 13.22 98.14 58.69 -68.33 -34.28 42.93 0.59 56.48 19.73 8.73 15.81 42.78 12.31 0.03 0.25 0.35 61 P C H 110.61 1.17 8.85 10.63 98.34 54.31 -75.83 -14.82 54.34 1.11 44.55 25.65 7.52 21.84 29.78 14.03 0.03 0.54 0.61 62 Q C C 140.99 1.32 7.59 10.02 103.10 70.87 -82.32 24.79 68.92 0.82 30.26 50.96 2.19 17.63 21.43 6.89 0.00 0.42 0.49 63 Q C C 139.50 1.76 9.66 12.72 107.18 70.51 -83.70 97.88 99.88 0.03 0.08 99.68 0.11 0.14 0.05 0.01 0.00 0.01 0.01