# 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 128.59 3.29 9.80 14.92 115.29 -159.83 -96.83 133.19 99.87 0.08 0.05 99.74 0.12 0.07 0.02 0.00 0.00 0.03 0.01 1 R C C 168.67 2.14 8.40 12.32 114.09 -143.65 -93.74 131.46 83.33 1.96 14.72 78.11 1.54 5.49 8.37 4.48 0.00 1.08 0.92 2 Q C C 129.12 2.76 7.55 12.23 112.68 -142.59 -90.45 130.19 77.99 2.93 19.08 56.44 11.57 9.82 9.30 9.95 0.00 1.79 1.13 3 K C C 150.30 2.04 8.94 12.54 112.40 -157.63 -95.27 124.28 75.75 3.66 20.59 52.75 13.16 9.67 10.63 10.17 0.00 2.28 1.33 4 Y C C 151.26 3.91 7.60 13.34 112.92 66.08 -94.34 122.37 77.58 4.16 18.26 56.16 13.55 7.25 12.58 6.28 0.00 2.37 1.80 5 V C C 104.93 3.05 8.72 13.52 111.38 -161.50 -96.31 118.36 81.75 2.97 15.28 62.58 12.07 6.44 12.28 3.71 0.00 1.69 1.24 6 S C C 81.18 2.78 9.29 13.71 109.45 -138.75 -88.57 118.43 80.22 2.19 17.59 53.18 13.98 12.64 12.05 5.97 0.00 1.24 0.94 7 N C C 118.08 2.61 9.75 13.89 109.02 -110.45 -86.80 113.42 79.22 2.74 18.05 47.80 16.05 15.43 11.07 6.97 0.00 1.51 1.16 8 K C C 142.11 2.90 10.11 14.71 109.58 -143.13 -88.67 120.87 78.17 5.99 15.84 51.43 15.89 10.61 10.47 5.70 0.01 3.56 2.33 9 A C C 65.51 5.67 9.81 17.17 114.88 -139.58 -90.00 138.24 79.27 9.57 11.16 60.27 13.54 4.31 9.26 2.78 0.01 4.66 5.18 10 A C C 49.74 6.01 10.43 18.34 115.25 -115.55 -78.03 147.77 85.79 1.40 12.81 74.47 8.10 2.20 12.90 1.13 0.00 0.64 0.57 11 P H H 93.32 2.49 13.78 16.93 94.33 -109.37 -61.90 -37.73 31.86 1.03 67.11 15.33 4.55 12.70 55.44 10.90 0.05 0.64 0.39 12 L H H 89.84 4.62 13.07 18.91 93.19 52.29 -67.28 -38.26 26.97 0.49 72.54 6.02 3.55 16.86 59.76 13.16 0.11 0.28 0.27 13 Q H H 70.23 6.97 12.55 21.28 93.08 53.57 -65.98 -38.63 14.82 0.26 84.91 4.22 2.11 8.25 70.55 14.56 0.04 0.15 0.11 14 Y H H 124.98 2.90 15.77 19.17 92.55 52.38 -65.63 -40.59 9.35 0.20 90.44 3.32 1.41 4.68 79.28 11.09 0.02 0.13 0.07 15 P H H 68.63 3.82 15.45 20.18 92.39 50.93 -65.82 -40.07 10.23 0.21 89.57 2.46 1.17 6.28 78.09 11.75 0.04 0.14 0.07 16 L H H 68.98 7.56 13.92 22.88 93.07 50.21 -68.20 -37.95 9.16 0.19 90.65 2.48 1.31 5.34 80.21 10.44 0.04 0.11 0.07 17 R H H 126.29 4.65 15.55 21.41 92.50 55.97 -63.82 -41.07 10.14 0.33 89.53 3.87 1.70 5.08 79.21 9.78 0.03 0.22 0.10 18 K H H 120.43 2.13 16.83 18.62 93.22 50.24 -66.37 -38.68 14.55 0.50 84.95 4.56 1.89 8.18 74.79 10.02 0.05 0.35 0.15 19 L H H 73.27 5.81 14.03 21.32 93.65 51.52 -67.42 -38.54 16.78 0.57 82.65 5.34 3.06 9.20 72.10 9.63 0.10 0.35 0.23 20 N H H 68.50 7.18 12.85 21.63 93.53 53.21 -68.60 -35.16 26.24 1.15 72.61 13.76 4.86 9.61 62.18 8.43 0.06 0.63 0.49 21 S H H 69.08 2.74 13.92 17.40 93.89 57.14 -68.76 -30.67 30.67 1.05 68.29 9.66 4.93 16.40 53.97 13.82 0.15 0.59 0.47 22 E H H 122.61 2.88 12.72 16.62 96.35 56.22 -78.65 -13.64 36.68 1.77 61.55 9.80 6.14 21.13 46.68 14.13 0.30 0.98 0.85 23 A C T 67.67 5.19 9.95 16.78 103.00 76.83 -75.75 52.71 61.03 1.60 37.37 8.74 9.35 41.25 26.72 11.82 0.20 0.81 1.11 24 G C T 56.88 2.40 12.73 16.29 99.27 -56.89 78.54 4.40 82.09 1.42 16.49 16.26 11.86 54.18 10.11 6.06 0.02 0.82 0.71 25 K C C 137.08 2.84 12.33 16.55 106.81 105.54 -92.68 52.65 79.27 10.93 9.81 48.99 16.38 14.01 5.41 4.49 0.03 6.88 3.83 26 V C C 88.08 6.29 9.51 17.44 113.63 87.10 -94.65 125.35 77.36 19.04 3.60 55.71 17.26 3.70 2.39 1.54 0.01 10.22 9.16 27 V C C 91.54 4.14 11.07 16.99 118.00 -144.35 -103.70 133.45 88.48 10.29 1.23 70.35 15.75 2.31 0.61 0.66 0.00 7.56 2.76 28 P C C 102.28 3.02 11.73 16.28 110.49 -104.79 -67.60 142.18 89.65 4.90 5.45 39.40 21.24 29.96 1.65 3.35 0.00 3.09 1.30 29 G C C 54.69 2.70 11.64 15.60 107.99 22.88 86.68 -0.40 86.96 5.03 8.02 37.00 21.34 29.69 2.44 4.97 0.01 2.78 1.79 30 W C C 168.92 3.84 10.18 15.52 104.86 58.36 -89.62 22.32 75.12 7.65 17.23 32.84 19.45 24.26 6.12 9.90 0.07 3.75 3.61 31 G C C 45.11 4.29 12.55 18.08 110.70 20.47 81.39 -21.61 74.98 7.09 17.94 29.55 21.89 25.26 7.50 9.13 0.09 3.63 2.93 32 T C C 73.17 5.95 11.81 19.18 103.48 65.06 -89.30 3.63 67.73 5.07 27.20 41.72 14.43 11.87 18.92 8.04 0.05 2.38 2.58 33 A H H 57.54 5.14 12.39 19.14 96.12 90.20 -64.53 -41.09 20.61 0.48 78.91 10.76 6.64 4.89 75.25 2.06 0.02 0.19 0.19 34 P H H 90.78 1.85 14.80 16.44 93.18 49.89 -65.40 -38.17 12.17 0.47 87.36 5.13 2.00 5.82 83.88 2.69 0.04 0.29 0.15 35 L H H 93.96 2.82 14.27 17.70 93.16 49.75 -67.36 -39.41 6.93 0.51 92.55 3.13 0.99 3.27 89.57 2.51 0.02 0.38 0.12 36 M H H 79.06 5.84 12.97 20.48 92.58 51.39 -65.82 -40.07 3.38 0.17 96.45 1.77 0.47 1.25 95.51 0.85 0.00 0.11 0.04 37 G H H 35.74 3.09 14.64 18.70 91.96 52.02 -63.62 -41.13 2.99 0.15 96.86 1.37 0.35 1.28 96.45 0.42 0.00 0.10 0.03 38 I H H 103.19 1.59 15.88 16.66 92.34 49.26 -65.30 -41.18 1.15 0.05 98.80 0.43 0.11 0.54 98.66 0.21 0.00 0.04 0.01 39 M H H 93.60 3.43 14.82 19.17 92.32 50.29 -65.36 -41.04 0.46 0.01 99.53 0.19 0.04 0.19 99.48 0.09 0.00 0.01 0.00 40 L H H 83.60 4.09 14.40 19.74 92.29 50.95 -65.09 -40.64 0.31 0.00 99.69 0.08 0.02 0.15 99.69 0.05 0.00 0.00 0.00 41 I H H 98.66 1.82 15.81 17.18 91.88 50.48 -64.26 -41.46 0.15 0.00 99.85 0.03 0.01 0.08 99.85 0.03 0.00 0.00 0.00 42 A H H 61.07 2.13 15.60 17.61 91.83 50.42 -64.62 -41.37 0.15 0.00 99.85 0.02 0.00 0.08 99.85 0.03 0.00 0.00 0.00 43 L H H 83.43 3.82 14.57 19.51 92.05 50.14 -65.17 -40.64 0.19 0.00 99.81 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 44 L H H 89.75 2.77 15.06 18.46 91.86 50.93 -64.22 -40.63 0.23 0.00 99.77 0.02 0.01 0.16 99.75 0.06 0.00 0.00 0.00 45 L H H 97.09 1.72 15.90 16.99 91.95 50.40 -64.41 -41.36 0.26 0.00 99.74 0.02 0.01 0.18 99.71 0.07 0.00 0.00 0.00 46 F H H 110.81 2.86 15.21 18.54 91.97 49.93 -65.14 -40.96 0.41 0.00 99.59 0.04 0.02 0.28 99.55 0.10 0.00 0.00 0.00 47 I H H 86.47 3.77 14.77 19.55 92.03 50.51 -64.59 -41.00 0.28 0.00 99.71 0.03 0.01 0.19 99.69 0.08 0.00 0.00 0.00 48 L H H 90.44 2.35 15.67 18.13 91.84 50.70 -64.49 -40.98 0.32 0.00 99.67 0.05 0.02 0.21 99.62 0.10 0.00 0.00 0.00 49 T H H 72.85 2.35 15.81 18.17 92.04 49.80 -64.72 -41.70 0.47 0.01 99.52 0.07 0.02 0.32 99.47 0.12 0.00 0.01 0.00 50 I H H 84.57 3.44 14.99 19.28 92.12 49.53 -64.92 -41.63 0.47 0.01 99.53 0.07 0.03 0.30 99.44 0.17 0.00 0.00 0.00 51 L H H 83.28 3.54 14.49 19.08 91.92 50.71 -64.13 -41.27 0.61 0.01 99.38 0.08 0.04 0.41 99.05 0.41 0.00 0.01 0.00 52 Q H H 103.42 2.47 14.63 17.60 92.06 50.63 -65.09 -39.83 1.73 0.01 98.25 0.18 0.10 1.33 97.54 0.82 0.00 0.01 0.00 53 L H H 98.47 2.33 14.42 17.06 92.94 49.25 -66.51 -40.06 4.10 0.03 95.88 0.41 0.28 3.24 95.02 1.02 0.01 0.02 0.01 54 Y H H 138.75 2.66 13.56 16.77 94.34 47.23 -71.22 -35.53 12.06 0.16 87.79 1.77 1.41 8.94 86.40 1.30 0.04 0.07 0.07 55 N H H 93.17 3.58 12.33 17.19 96.92 50.12 -81.85 -9.65 37.80 0.86 61.34 10.03 5.66 23.01 58.04 2.38 0.07 0.38 0.43 56 G C H 43.34 3.59 11.86 16.84 98.85 70.41 -73.42 -22.15 51.80 1.57 46.63 18.97 10.44 23.52 40.05 5.50 0.08 0.80 0.65 57 T H H 86.25 3.13 11.50 15.88 100.04 65.24 -79.88 -18.21 44.55 4.26 51.19 22.11 9.47 14.51 41.07 8.71 0.15 2.87 1.11 58 V H H 99.27 2.84 10.49 14.72 103.18 80.98 -80.78 -20.18 33.76 11.40 54.84 17.65 7.20 10.38 42.30 11.03 0.25 9.58 1.60 59 I H H 116.59 2.69 10.43 14.43 106.66 95.57 -85.65 61.97 31.65 17.53 50.81 17.44 6.27 9.34 38.78 10.51 0.27 15.28 2.11 60 V H H 100.04 3.33 9.02 13.96 106.31 88.38 -87.57 58.75 34.99 17.66 47.35 18.26 7.56 11.26 34.70 10.66 0.50 14.19 2.89 61 E C T 143.07 1.94 9.69 13.05 107.45 82.61 -80.25 112.26 59.90 6.28 33.81 13.31 9.15 36.01 26.01 8.83 0.40 4.50 1.77 62 G C T 59.89 1.51 10.14 12.52 101.57 6.24 73.56 4.28 79.07 3.22 17.71 18.34 11.83 49.23 11.49 5.94 0.03 2.23 0.90 63 I C C 111.80 3.77 6.93 12.60 112.34 121.32 -91.68 121.08 81.32 9.80 8.88 59.38 13.31 8.16 5.91 3.27 0.01 6.95 3.01 64 D C C 122.44 1.21 9.48 11.71 109.37 -149.94 -90.59 111.29 88.55 7.78 3.67 81.70 2.15 4.97 1.91 1.24 0.00 5.80 2.23 65 V C C 102.79 4.43 9.29 15.55 108.12 -167.38 -91.34 85.36 99.85 0.13 0.02 99.77 0.10 0.04 0.01 0.00 0.00 0.07 0.01