# 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 120.84 4.22 10.54 16.63 117.77 -156.74 -98.44 135.58 99.94 0.06 0.00 99.82 0.12 0.02 0.00 0.00 0.00 0.03 0.00 1 R C C 161.66 2.79 9.58 14.30 115.35 -149.03 -97.86 136.71 90.59 9.16 0.24 89.39 0.92 0.78 0.06 0.12 0.00 7.19 1.53 2 Y C C 150.46 3.82 8.39 14.45 123.90 -162.38 -117.70 143.33 57.71 42.04 0.24 47.93 7.71 0.83 0.07 0.22 0.00 38.55 4.68 3 T E E 82.75 3.89 9.48 15.51 123.00 -162.23 -117.35 144.53 35.97 63.96 0.07 31.89 3.03 0.23 0.02 0.05 0.00 63.54 1.25 4 T E E 97.32 2.95 8.85 13.99 119.55 -148.99 -109.53 135.13 11.74 88.18 0.08 10.33 0.69 0.06 0.08 0.03 0.00 62.66 26.16 5 D C C 81.05 3.91 7.70 13.58 122.24 -158.66 -100.25 162.91 93.22 6.71 0.07 93.05 0.76 0.14 0.01 0.03 0.00 5.22 0.79 6 E C T 173.46 0.43 8.66 8.65 99.89 -80.49 -65.81 17.59 97.63 1.17 1.21 0.95 4.45 92.36 0.04 1.18 0.00 0.87 0.15 7 G C T 66.24 0.45 9.08 8.86 97.02 30.48 -20.96 4.50 98.63 0.13 1.24 0.48 4.05 94.02 0.03 1.31 0.00 0.07 0.04 8 G C S 55.82 1.95 8.54 11.82 98.31 -95.24 84.43 4.79 98.10 0.74 1.16 17.27 77.30 3.69 0.10 0.96 0.00 0.42 0.26 9 R C C 144.96 2.12 8.56 12.56 117.92 135.51 -90.02 139.93 80.90 18.94 0.16 73.88 7.14 0.40 0.07 0.10 0.00 10.99 7.42 10 L E E 107.78 3.77 9.22 15.02 114.89 -128.49 -90.86 133.50 7.25 92.67 0.08 6.01 0.48 0.05 0.09 0.03 0.00 60.67 32.68 11 N E E 79.86 6.19 9.33 17.37 113.15 -152.70 -98.14 121.44 41.25 58.12 0.63 33.65 5.31 2.06 0.16 0.56 0.00 56.44 1.81 12 N C S 113.15 3.20 10.09 15.04 100.23 -175.73 -95.59 5.99 78.25 20.40 1.36 31.32 32.44 15.21 0.19 1.28 0.00 18.13 1.41 13 F C C 150.44 2.30 9.91 13.59 108.46 86.42 -92.82 65.53 80.89 17.27 1.84 37.52 29.39 15.07 0.36 1.63 0.01 11.64 4.38 14 A C C 67.00 4.42 7.41 13.73 117.18 113.37 -89.48 141.85 85.21 13.64 1.14 61.10 19.77 4.22 0.31 0.99 0.00 8.90 4.71 15 I C C 143.50 1.21 9.84 11.88 111.80 -141.29 -91.72 116.95 91.98 7.56 0.47 54.34 35.79 2.38 0.12 0.37 0.00 4.05 2.94 16 E C C 134.20 2.84 7.66 12.57 117.19 -122.38 -96.84 135.58 96.52 3.40 0.09 49.25 47.58 0.44 0.02 0.05 0.00 1.80 0.87 17 P C C 94.31 3.21 8.24 13.43 115.66 -106.69 -68.69 149.51 98.25 1.65 0.10 92.43 5.37 0.58 0.02 0.07 0.00 1.19 0.34 18 K C C 165.57 1.10 10.46 12.29 113.73 -106.33 -75.58 139.20 91.13 8.70 0.17 77.14 13.31 0.75 0.04 0.15 0.00 7.14 1.48 19 V C C 113.69 3.49 6.71 12.39 116.44 -126.10 -91.38 134.67 67.73 32.14 0.14 62.02 4.15 0.35 0.03 0.12 0.00 31.79 1.56 20 Y E E 163.10 1.94 9.17 12.98 123.88 -167.21 -121.23 144.56 23.81 76.04 0.15 22.07 1.13 0.17 0.06 0.09 0.00 71.50 4.98 21 Q E E 141.15 2.01 8.77 12.76 119.43 -140.45 -105.49 139.00 22.95 76.86 0.19 20.51 1.71 0.29 0.07 0.13 0.00 73.36 3.92 22 A C C 68.94 5.30 6.79 13.88 117.29 -130.15 -90.09 143.71 59.44 40.26 0.30 50.21 8.14 0.73 0.09 0.23 0.00 38.33 2.27 23 Q C C 145.39 1.11 10.62 12.35 117.06 -124.62 -90.78 140.99 87.30 12.46 0.24 47.22 38.83 1.59 0.04 0.23 0.00 11.15 0.94 24 P C C 113.37 1.51 10.36 12.96 112.77 -75.47 -70.35 140.59 98.20 1.52 0.28 80.08 16.23 1.97 0.07 0.23 0.00 1.09 0.33 25 W C C 131.80 8.21 6.24 15.41 116.20 -122.84 -82.02 140.06 99.03 0.73 0.24 94.58 3.98 0.52 0.09 0.11 0.00 0.30 0.41 26 T C C 77.42 1.77 11.40 13.70 120.77 -126.43 -84.82 162.14 99.67 0.19 0.14 94.58 4.96 0.13 0.09 0.02 0.00 0.05 0.17 27 P H H 115.03 1.05 10.54 12.00 91.43 -103.59 -58.44 -37.54 8.19 0.02 91.79 0.98 1.20 5.79 88.97 3.02 0.02 0.01 0.01 28 Q H H 131.26 0.84 11.75 11.92 92.34 52.28 -65.28 -38.92 6.85 0.02 93.13 0.80 0.66 5.10 89.93 3.48 0.01 0.01 0.01 29 Q H H 79.46 4.63 10.30 16.80 92.94 49.05 -66.60 -38.56 3.93 0.03 96.04 1.14 0.47 2.21 92.44 3.70 0.01 0.01 0.01 30 K H H 110.18 3.64 12.04 17.21 92.10 52.44 -64.01 -40.62 1.67 0.01 98.32 0.75 0.20 0.67 97.75 0.61 0.00 0.00 0.00 31 V H H 95.98 1.18 14.94 14.91 92.04 49.22 -64.69 -41.39 1.39 0.00 98.60 0.40 0.13 0.72 98.44 0.30 0.00 0.00 0.00 32 R H H 131.07 2.03 14.74 16.80 92.45 49.22 -65.43 -40.70 1.36 0.00 98.64 0.35 0.13 0.74 98.54 0.24 0.00 0.00 0.00 33 A H H 45.92 5.59 12.39 19.93 91.78 51.30 -64.20 -41.57 0.63 0.00 99.37 0.17 0.05 0.31 99.35 0.12 0.00 0.00 0.00 34 A H H 63.81 2.33 15.15 17.74 91.98 50.68 -64.16 -41.26 0.35 0.00 99.65 0.07 0.02 0.19 99.63 0.08 0.00 0.00 0.00 35 L H H 107.85 1.28 16.10 16.17 92.21 49.49 -65.06 -40.91 0.34 0.00 99.66 0.05 0.02 0.21 99.63 0.08 0.00 0.00 0.00 36 L H H 92.47 2.93 15.03 18.63 92.26 49.74 -65.28 -41.16 0.41 0.00 99.59 0.05 0.02 0.27 99.59 0.07 0.00 0.00 0.00 37 V H H 76.89 3.90 14.55 19.63 92.11 50.20 -64.61 -41.47 0.50 0.00 99.50 0.07 0.03 0.31 99.53 0.06 0.00 0.00 0.00 38 G H H 40.66 1.89 16.38 17.76 91.87 50.13 -64.04 -41.94 0.33 0.00 99.67 0.04 0.02 0.20 99.68 0.05 0.00 0.00 0.00 39 G H H 40.25 1.81 16.66 17.77 92.00 49.96 -64.69 -41.39 0.25 0.00 99.75 0.02 0.01 0.16 99.76 0.05 0.00 0.00 0.00 40 G H H 32.12 3.96 14.41 19.79 92.01 51.00 -64.06 -41.40 0.20 0.00 99.80 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 41 L H H 92.82 2.87 15.25 18.80 92.03 50.90 -64.64 -40.89 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 42 L H H 108.21 1.45 16.37 16.80 92.21 50.28 -65.08 -40.81 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 43 L H H 101.47 1.94 15.88 17.54 92.30 49.51 -65.16 -41.31 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 44 V H H 81.16 3.12 14.99 18.80 92.25 49.29 -65.08 -41.62 0.19 0.00 99.81 0.01 0.01 0.12 99.83 0.03 0.00 0.00 0.00 45 A H H 61.08 2.29 15.45 17.88 92.15 50.90 -64.42 -41.00 0.24 0.00 99.76 0.02 0.01 0.15 99.78 0.03 0.00 0.00 0.00 46 G H H 39.94 1.96 15.44 17.24 91.93 50.82 -64.33 -41.05 0.32 0.00 99.68 0.03 0.01 0.20 99.71 0.05 0.00 0.00 0.00 47 L H H 93.83 2.66 14.86 17.91 92.20 50.48 -65.07 -41.31 0.24 0.00 99.76 0.02 0.01 0.15 99.76 0.06 0.00 0.00 0.00 48 V H H 87.04 2.42 14.64 17.41 92.03 50.10 -64.71 -41.49 0.27 0.00 99.73 0.03 0.01 0.17 99.71 0.07 0.00 0.00 0.00 49 A H H 68.00 1.51 14.67 15.65 91.96 50.42 -64.70 -41.34 0.35 0.00 99.64 0.04 0.02 0.22 99.58 0.13 0.00 0.00 0.00 50 I H H 101.91 1.71 13.89 15.47 92.11 49.81 -65.14 -41.32 0.55 0.00 99.44 0.06 0.03 0.37 99.28 0.25 0.00 0.00 0.00 51 A H H 59.58 2.89 11.71 15.89 92.30 50.90 -64.73 -40.04 1.29 0.01 98.70 0.14 0.07 0.93 98.23 0.62 0.00 0.00 0.00 52 V H H 105.40 1.51 11.68 13.58 93.31 50.49 -67.74 -36.45 5.42 0.02 94.56 0.42 0.32 4.40 93.60 1.23 0.01 0.01 0.01 53 G H H 57.40 1.00 10.45 11.54 94.19 54.02 -72.49 -25.10 17.92 0.12 81.96 1.93 1.44 14.03 81.14 1.33 0.02 0.05 0.06 54 V H H 116.31 1.44 8.90 11.19 99.45 53.84 -84.01 -13.00 46.31 0.92 52.77 21.62 2.47 21.76 51.84 1.39 0.01 0.30 0.61 55 S C C 78.58 3.06 10.40 15.09 105.91 80.77 -83.15 89.44 99.90 0.06 0.05 99.75 0.09 0.08 0.03 0.00 0.00 0.03 0.01