# 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 127.00 3.90 11.39 16.92 119.08 -166.94 -100.37 134.42 99.76 0.21 0.03 99.71 0.10 0.04 0.01 0.00 0.00 0.10 0.03 1 A C C 74.74 4.30 8.14 14.34 115.66 -129.18 -85.04 141.12 88.73 5.96 5.31 85.32 1.16 3.03 3.23 1.33 0.00 3.66 2.27 2 K C C 151.57 2.11 9.04 12.90 115.46 -140.90 -95.00 136.59 84.20 7.20 8.60 65.44 11.85 6.45 5.82 3.11 0.00 4.47 2.86 3 S C C 70.49 4.32 7.95 14.12 116.12 -129.65 -91.19 146.00 81.71 4.42 13.87 65.20 10.03 5.95 10.16 4.18 0.00 2.44 2.02 4 K C H 158.34 1.80 10.77 13.70 97.40 -133.84 -72.90 -20.63 61.35 1.56 37.09 24.43 15.61 22.43 28.18 7.79 0.05 0.75 0.77 5 N C H 98.99 4.00 10.22 15.85 103.50 60.88 -93.43 21.41 59.22 1.24 39.54 23.33 14.28 23.04 30.38 7.66 0.05 0.55 0.71 6 H H H 113.26 5.40 10.39 17.32 103.60 99.74 -85.77 20.71 48.45 1.75 49.80 29.68 10.46 9.92 40.99 7.26 0.03 0.77 0.89 7 T H H 77.74 4.65 11.59 17.75 106.61 101.84 -88.33 2.23 43.36 1.46 55.19 26.43 8.60 10.09 48.03 5.49 0.03 0.71 0.61 8 N H H 93.02 4.14 12.73 18.07 102.96 58.40 -82.34 3.84 40.44 1.15 58.41 23.07 9.13 9.98 51.76 5.00 0.03 0.54 0.49 9 H H H 103.17 5.62 12.16 19.18 98.51 80.05 -72.95 -33.55 32.06 0.93 67.01 17.12 7.84 9.26 60.05 4.85 0.04 0.44 0.40 10 N H H 88.13 4.29 13.49 18.88 96.25 55.82 -70.98 -34.05 28.56 0.77 70.67 15.64 5.74 9.26 63.37 5.24 0.03 0.39 0.33 11 Q H H 103.35 3.70 13.84 18.50 95.15 54.75 -69.35 -34.83 24.43 0.65 74.92 10.94 5.33 9.95 67.54 5.57 0.06 0.33 0.29 12 S H H 53.26 5.52 12.63 19.60 97.71 54.62 -72.74 -32.34 29.53 0.80 69.67 14.62 5.97 10.80 62.88 4.94 0.04 0.40 0.36 13 R H H 127.17 3.78 13.90 18.69 96.12 61.26 -69.12 -35.48 26.00 0.85 73.15 12.73 6.37 9.17 66.39 4.51 0.06 0.41 0.36 14 K H H 106.76 3.43 13.58 18.08 94.58 55.95 -66.61 -39.35 20.38 0.82 78.79 9.20 4.60 8.82 70.51 5.98 0.10 0.45 0.34 15 N H H 74.71 5.18 11.73 18.58 94.68 52.88 -68.06 -36.72 19.38 0.82 79.81 8.68 3.60 8.70 69.89 8.24 0.08 0.49 0.32 16 H H H 119.15 3.70 11.45 16.36 96.31 50.66 -74.35 -33.01 20.53 1.05 78.42 8.11 3.84 10.20 66.11 10.55 0.13 0.63 0.42 17 R H H 165.30 1.77 11.96 14.23 97.01 51.38 -76.71 -29.60 28.21 1.04 70.75 6.08 5.22 18.12 59.70 9.44 0.36 0.55 0.53 18 N C T 105.66 2.61 11.48 15.01 99.64 31.69 -96.80 1.84 56.08 0.56 43.37 6.00 8.62 40.89 39.13 4.64 0.10 0.22 0.40 19 G C T 52.70 2.56 11.99 15.83 97.51 -108.72 79.95 12.04 96.72 0.97 2.31 33.65 22.64 40.80 0.81 1.24 0.00 0.50 0.38 20 I C C 88.34 6.16 8.32 16.39 116.71 135.26 -92.95 135.86 92.05 6.79 1.17 72.51 16.39 2.26 0.51 0.64 0.00 2.56 5.13 21 K C C 146.32 1.95 12.64 15.75 118.34 -138.45 -94.55 140.47 96.58 3.04 0.38 79.73 15.96 0.91 0.16 0.20 0.00 1.34 1.70 22 P C C 90.88 4.48 11.29 17.64 115.25 -103.67 -66.32 147.43 99.35 0.47 0.17 84.14 14.67 0.62 0.07 0.08 0.00 0.22 0.21 23 P C C 74.14 7.82 8.65 17.92 113.29 -103.42 -66.88 147.64 98.55 0.49 0.96 90.43 6.40 1.78 0.43 0.39 0.00 0.17 0.40 24 L C C 105.15 2.73 10.46 14.65 114.61 -112.29 -77.07 144.17 94.57 0.44 4.98 87.29 5.77 1.81 3.43 1.12 0.00 0.14 0.43 25 P H H 104.50 2.26 9.73 13.47 96.80 -109.02 -61.33 -32.22 42.93 0.55 56.52 18.20 7.75 16.51 33.55 23.38 0.01 0.26 0.33 26 L H H 127.44 1.34 10.20 12.12 94.49 59.67 -69.54 -23.24 34.75 0.71 64.54 11.00 5.94 16.50 41.30 24.53 0.04 0.36 0.33 27 Y H H 132.61 3.87 9.90 15.32 99.03 54.35 -81.86 -12.11 30.66 1.19 68.15 13.46 5.88 10.91 44.81 23.82 0.04 0.65 0.44 28 M H H 93.39 6.00 10.36 17.89 95.49 73.72 -69.83 -33.63 37.42 1.41 61.17 20.14 7.61 11.25 48.43 11.20 0.04 0.72 0.62 29 Y H H 129.57 4.63 11.34 17.37 99.44 52.65 -82.83 -9.72 42.62 1.46 55.92 20.16 10.14 14.50 43.39 10.32 0.07 0.69 0.72 30 N H H 104.81 3.12 13.09 17.25 97.03 60.86 -76.49 -23.26 46.97 1.28 51.75 20.42 10.57 17.42 37.93 12.29 0.08 0.61 0.68 31 S C C 64.88 5.27 11.50 18.13 101.32 62.18 -82.31 -4.13 56.74 1.74 41.52 26.81 11.46 19.54 26.66 13.63 0.05 0.78 1.06 32 K C C 119.89 5.98 10.50 17.84 99.53 70.64 -87.02 1.69 67.49 2.40 30.11 37.92 12.07 17.90 17.12 12.25 0.02 1.04 1.68 33 R C T 168.83 2.47 11.23 15.36 107.57 116.21 -73.69 115.37 80.45 1.62 17.92 20.51 13.79 46.45 10.11 7.23 0.02 0.75 1.13 34 G C T 57.99 1.84 12.60 15.00 102.74 10.31 82.86 -1.02 89.37 1.13 9.50 20.34 19.79 49.95 3.66 5.04 0.00 0.56 0.66 35 G C C 42.55 5.27 10.26 17.26 119.44 108.33 -101.76 171.02 88.98 5.04 5.98 52.73 27.66 8.41 2.69 2.89 0.01 1.80 3.81 36 W C C 153.48 3.53 11.71 16.63 111.87 -69.93 -88.99 121.84 95.10 1.90 3.00 85.50 7.92 1.41 2.48 0.57 0.00 0.69 1.43 37 L H H 104.02 4.11 11.96 17.79 94.02 -137.07 -60.59 -38.99 7.59 0.04 92.37 2.82 1.29 3.51 90.87 1.48 0.00 0.02 0.02 38 P H H 92.45 1.85 14.49 16.37 92.30 52.52 -64.80 -38.85 4.62 0.02 95.35 0.93 0.49 3.07 93.70 1.79 0.00 0.01 0.01 39 A H H 51.05 4.09 13.70 19.17 92.55 50.36 -66.00 -40.45 1.72 0.01 98.26 0.49 0.20 0.94 96.66 1.70 0.00 0.01 0.00 40 L H H 63.39 5.84 13.54 21.21 92.35 51.26 -64.28 -41.60 0.84 0.01 99.15 0.28 0.10 0.39 98.66 0.56 0.00 0.00 0.00 41 V H H 73.43 3.31 16.21 20.19 91.84 49.73 -64.10 -42.14 0.71 0.00 99.29 0.18 0.06 0.37 99.17 0.22 0.00 0.00 0.00 42 N H H 81.84 2.76 16.74 19.74 91.94 49.71 -64.89 -40.60 1.09 0.00 98.90 0.25 0.09 0.62 98.81 0.23 0.00 0.00 0.00 43 T H H 60.75 4.41 15.76 21.34 91.93 50.77 -64.48 -40.75 1.06 0.00 98.94 0.25 0.09 0.57 98.83 0.25 0.00 0.00 0.00 44 R H H 118.02 3.47 16.52 20.54 91.71 51.01 -64.68 -41.44 1.10 0.00 98.89 0.24 0.09 0.63 98.73 0.31 0.00 0.00 0.00 45 R H H 122.12 2.44 16.37 18.85 92.03 50.19 -64.54 -41.44 1.65 0.01 98.33 0.39 0.16 0.94 98.04 0.46 0.00 0.01 0.00 46 V H H 73.96 2.98 14.87 18.64 92.03 50.26 -64.19 -41.73 2.59 0.02 97.39 0.78 0.27 1.34 96.97 0.61 0.00 0.01 0.01 47 R H H 134.20 2.55 15.26 18.28 92.13 50.41 -65.23 -40.54 4.55 0.04 95.41 1.18 0.49 2.65 94.58 1.06 0.01 0.02 0.01 48 K H H 125.00 2.07 15.13 17.23 92.73 50.30 -66.27 -39.10 8.29 0.05 91.67 1.44 0.87 5.60 90.71 1.33 0.02 0.02 0.02 49 N H H 95.13 2.22 14.31 16.80 93.86 48.72 -70.31 -33.31 21.53 0.15 78.32 4.36 2.89 13.88 77.29 1.41 0.03 0.06 0.09 50 N H H 84.33 3.60 13.52 18.14 96.72 54.27 -73.85 -31.97 36.09 0.42 63.48 19.64 4.09 11.79 62.72 1.36 0.01 0.16 0.22 51 Q H H 109.38 2.72 14.40 17.66 93.64 58.27 -65.51 -40.51 6.65 0.06 93.28 2.94 1.08 2.44 92.87 0.63 0.00 0.02 0.02 52 K H H 129.46 1.58 16.06 16.95 92.46 50.67 -64.85 -41.55 2.56 0.02 97.42 0.83 0.35 1.23 97.07 0.50 0.00 0.01 0.00 53 A H H 52.46 2.58 15.45 18.50 91.96 50.17 -64.25 -41.16 1.61 0.01 98.38 0.51 0.19 0.80 98.00 0.48 0.00 0.01 0.00 54 A H H 48.29 3.46 14.73 19.47 91.86 50.64 -63.93 -41.12 1.07 0.01 98.92 0.32 0.12 0.52 98.74 0.29 0.00 0.00 0.00 55 L H H 84.43 2.60 15.73 18.69 91.69 50.19 -64.18 -41.49 0.75 0.00 99.24 0.20 0.08 0.38 99.19 0.15 0.00 0.00 0.00 56 K H H 116.86 1.71 16.82 17.77 91.85 50.19 -64.46 -41.15 0.58 0.00 99.41 0.13 0.05 0.30 99.41 0.10 0.00 0.00 0.00 57 A H H 53.04 2.49 15.26 18.25 91.59 50.37 -63.62 -41.26 0.52 0.00 99.48 0.11 0.04 0.28 99.50 0.08 0.00 0.00 0.00 58 R H H 128.52 2.46 15.42 18.22 91.78 50.16 -64.69 -40.97 0.47 0.00 99.53 0.08 0.04 0.25 99.56 0.06 0.00 0.00 0.00 59 R H H 137.41 1.90 15.50 17.34 91.60 50.40 -64.01 -40.98 0.36 0.00 99.64 0.06 0.02 0.20 99.66 0.05 0.00 0.00 0.00 60 E H H 114.57 1.49 15.96 16.61 91.62 49.73 -64.77 -40.92 0.34 0.00 99.66 0.06 0.02 0.19 99.68 0.05 0.00 0.00 0.00 61 R H H 135.88 1.76 15.60 16.98 91.79 49.81 -64.77 -41.17 0.41 0.00 99.59 0.07 0.02 0.23 99.61 0.06 0.00 0.00 0.00 62 L H H 85.35 2.45 14.76 17.66 91.74 49.78 -64.39 -41.58 0.42 0.00 99.58 0.07 0.03 0.23 99.60 0.06 0.00 0.00 0.00 63 A H H 58.62 1.88 14.87 16.69 91.53 50.58 -63.67 -41.50 0.54 0.00 99.46 0.10 0.04 0.29 99.47 0.09 0.00 0.00 0.00 64 A H H 59.85 1.70 14.48 15.96 91.68 50.37 -64.31 -41.41 1.01 0.00 98.99 0.16 0.06 0.62 98.96 0.19 0.00 0.00 0.00 65 H H H 111.29 1.65 13.50 15.07 92.22 50.00 -65.19 -39.96 1.82 0.00 98.17 0.35 0.14 1.10 98.01 0.40 0.00 0.00 0.00 66 Q H H 105.84 1.55 12.17 13.92 92.37 50.69 -65.44 -39.37 3.38 0.01 96.61 0.71 0.31 2.04 96.12 0.82 0.00 0.00 0.00 67 A H H 71.71 1.42 10.63 12.49 92.57 52.12 -66.48 -36.46 9.03 0.04 90.93 1.45 0.81 6.26 89.72 1.73 0.01 0.01 0.01 68 A H H 86.75 1.01 9.50 10.85 93.95 54.19 -70.26 -27.84 26.58 0.12 73.30 3.97 2.49 19.67 71.54 2.19 0.02 0.04 0.07 69 Q C H 141.43 1.07 8.58 10.29 98.97 56.50 -81.45 -9.01 56.53 0.25 43.21 22.67 1.67 30.13 43.52 1.76 0.00 0.09 0.16 70 K C C 150.67 1.99 9.82 13.25 105.83 102.30 -79.71 77.21 99.90 0.03 0.07 99.65 0.12 0.15 0.05 0.00 0.00 0.01 0.01