# 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 128.84 3.24 10.24 15.11 115.70 -151.14 -92.49 138.30 99.98 0.02 0.00 99.93 0.05 0.01 0.00 0.00 0.00 0.01 0.00 1 T C C 113.18 1.35 8.73 11.39 111.70 -119.37 -81.20 132.22 98.06 1.19 0.75 95.50 0.83 2.09 0.30 0.22 0.00 0.54 0.52 2 I C C 121.93 3.08 6.58 11.69 116.13 -142.75 -95.99 131.41 93.83 4.50 1.67 75.87 15.58 1.89 1.02 0.60 0.00 1.63 3.41 3 A C C 79.41 1.98 9.62 12.91 115.89 -118.13 -76.74 149.74 96.62 1.25 2.14 87.48 7.95 1.41 1.45 0.58 0.00 0.67 0.47 4 P C C 101.46 2.55 9.75 13.97 112.55 -101.45 -68.91 143.55 91.05 1.78 7.17 77.47 8.62 5.20 4.76 2.18 0.00 0.94 0.83 5 I C C 112.99 4.10 7.74 13.67 110.58 -124.67 -86.18 122.37 85.32 2.99 11.69 69.23 9.59 6.11 9.30 2.71 0.00 1.42 1.65 6 T C C 101.00 1.85 10.17 13.07 109.70 -167.64 -96.96 115.74 80.61 1.90 17.48 55.55 13.96 10.02 15.82 2.84 0.00 0.88 0.91 7 G C C 44.36 2.82 10.76 14.75 108.07 29.46 22.71 -39.29 70.77 0.96 28.27 40.28 18.26 10.78 27.17 2.65 0.01 0.36 0.48 8 T H H 90.53 1.96 10.93 13.58 96.27 51.30 -68.63 -37.22 27.14 0.59 72.28 16.41 6.10 5.76 68.97 2.27 0.01 0.25 0.22 9 I H H 107.12 2.01 11.06 13.83 93.93 52.16 -66.70 -39.66 14.21 0.53 85.26 8.38 2.71 4.34 81.72 2.38 0.01 0.29 0.17 10 K H H 124.23 1.98 12.16 14.76 93.19 51.68 -66.22 -40.06 11.01 0.42 88.57 7.32 1.64 3.07 85.43 2.16 0.01 0.25 0.12 11 R H H 139.33 1.91 13.04 15.33 92.86 50.75 -66.38 -39.42 6.02 0.11 93.87 3.49 0.88 1.93 92.59 1.01 0.00 0.06 0.04 12 R H H 135.08 2.22 13.33 16.08 92.66 51.62 -66.07 -39.73 3.26 0.05 96.69 1.73 0.42 1.14 96.16 0.51 0.00 0.02 0.01 13 V H H 83.70 2.41 13.49 16.52 92.55 50.51 -64.83 -41.58 2.10 0.04 97.87 0.99 0.24 0.83 97.51 0.40 0.00 0.02 0.01 14 I H H 103.03 1.64 14.81 16.02 92.21 49.41 -64.94 -41.48 1.19 0.02 98.79 0.45 0.13 0.53 98.64 0.24 0.00 0.01 0.00 15 M H H 102.76 1.94 14.90 16.75 92.21 49.41 -64.89 -41.18 0.74 0.00 99.26 0.21 0.07 0.35 99.24 0.13 0.00 0.00 0.00 16 D H H 77.16 2.85 14.04 17.76 92.26 49.88 -65.56 -40.63 0.78 0.00 99.22 0.19 0.06 0.41 99.22 0.12 0.00 0.00 0.00 17 I H H 97.75 2.24 15.26 17.54 92.23 49.41 -65.05 -41.28 0.56 0.00 99.44 0.10 0.04 0.32 99.42 0.12 0.00 0.00 0.00 18 V H H 85.66 1.79 16.08 17.25 92.15 49.08 -64.73 -42.10 0.49 0.00 99.51 0.07 0.03 0.28 99.48 0.13 0.00 0.00 0.00 19 L H H 92.60 2.06 15.86 17.75 92.16 48.78 -64.71 -41.33 0.66 0.00 99.34 0.07 0.04 0.43 99.25 0.22 0.00 0.00 0.00 20 G H H 35.47 2.90 14.64 18.39 92.06 50.89 -63.82 -41.57 1.31 0.00 98.69 0.12 0.08 0.93 98.50 0.37 0.00 0.00 0.00 21 F H H 126.75 1.85 16.11 17.52 92.25 49.60 -64.98 -40.87 2.74 0.01 97.25 0.24 0.18 2.12 96.82 0.64 0.00 0.00 0.00 22 S H H 63.32 1.91 16.09 17.58 92.29 50.36 -64.57 -41.66 5.04 0.01 94.95 0.54 0.41 3.81 94.45 0.77 0.01 0.00 0.01 23 L H H 96.65 1.88 16.19 17.62 92.16 49.46 -65.22 -41.01 6.20 0.02 93.78 0.77 0.61 4.58 93.04 0.98 0.01 0.01 0.01 24 G H H 36.72 2.79 15.10 18.42 92.26 50.76 -64.26 -40.92 5.86 0.01 94.12 0.86 0.59 4.12 93.34 1.07 0.01 0.01 0.01 25 G H H 39.22 2.32 15.33 17.84 92.40 50.61 -65.04 -40.91 4.79 0.02 95.19 0.80 0.53 3.22 94.29 1.13 0.01 0.01 0.01 26 V H H 86.78 1.80 15.94 17.22 92.11 49.89 -64.78 -41.67 3.66 0.02 96.33 0.73 0.41 2.30 95.60 0.93 0.00 0.01 0.01 27 M H H 106.00 1.73 16.08 17.09 92.23 49.93 -64.54 -41.02 3.33 0.01 96.65 0.66 0.33 2.10 96.12 0.78 0.00 0.01 0.00 28 A H H 55.26 2.69 14.36 17.72 92.04 50.54 -64.33 -40.58 2.88 0.01 97.12 0.50 0.25 1.85 96.77 0.62 0.00 0.01 0.00 29 S H H 60.54 2.51 14.11 17.27 92.03 50.95 -64.58 -40.33 2.00 0.01 97.99 0.32 0.17 1.31 97.65 0.55 0.00 0.00 0.00 30 Y H H 141.73 1.34 14.78 15.35 92.01 50.48 -65.31 -40.97 1.17 0.00 98.83 0.12 0.08 0.84 98.44 0.51 0.00 0.00 0.00 31 W H H 157.99 1.38 14.42 15.04 92.54 48.71 -66.11 -40.87 1.23 0.00 98.76 0.10 0.08 0.96 98.28 0.56 0.00 0.00 0.00 32 W H H 140.14 2.46 13.23 16.37 92.75 48.33 -66.59 -40.41 1.91 0.01 98.08 0.14 0.13 1.59 97.43 0.69 0.01 0.00 0.00 33 W H H 152.72 2.06 13.53 15.93 92.51 47.96 -66.45 -40.06 3.59 0.01 96.40 0.14 0.20 3.37 95.31 0.95 0.02 0.00 0.00 34 G H H 42.73 1.67 14.47 15.74 93.56 47.34 -67.03 -40.02 10.69 0.01 89.30 0.22 0.45 10.50 87.60 1.19 0.03 0.00 0.01 35 F H H 123.70 1.84 14.32 15.88 96.61 41.87 -75.43 -39.77 44.04 0.06 55.90 0.60 2.00 40.67 55.05 1.53 0.07 0.02 0.06 36 H H H 96.12 3.60 12.99 17.84 95.60 43.74 -73.41 -37.35 23.78 0.07 76.15 1.64 1.89 20.14 74.69 1.51 0.05 0.02 0.06 37 M H H 98.75 2.57 13.87 17.15 91.96 53.03 -63.50 -42.00 3.30 0.01 96.69 0.85 0.39 1.80 96.22 0.74 0.00 0.00 0.00 38 D H H 85.73 1.57 15.37 16.26 92.34 49.98 -65.01 -39.99 2.20 0.01 97.79 0.77 0.20 1.11 97.20 0.72 0.00 0.00 0.00 39 K H H 112.79 2.14 15.06 17.24 92.38 49.97 -65.67 -40.59 1.06 0.00 98.93 0.37 0.10 0.53 98.51 0.49 0.00 0.00 0.00 40 I H H 83.85 2.80 14.25 17.86 92.04 49.84 -64.59 -41.67 0.53 0.00 99.47 0.16 0.04 0.25 99.42 0.12 0.00 0.00 0.00 41 N H H 88.29 1.70 15.32 16.58 91.96 50.23 -64.26 -41.40 0.47 0.00 99.53 0.12 0.03 0.23 99.56 0.06 0.00 0.00 0.00 42 K H H 117.40 1.66 15.21 16.44 92.03 50.09 -64.78 -41.41 0.39 0.00 99.61 0.08 0.03 0.21 99.63 0.05 0.00 0.00 0.00 43 R H H 130.41 2.04 14.67 16.84 91.88 49.62 -64.88 -40.99 0.30 0.00 99.70 0.04 0.01 0.17 99.73 0.04 0.00 0.00 0.00 44 E H H 106.26 1.88 14.77 16.58 91.71 50.23 -64.57 -40.45 0.37 0.00 99.63 0.04 0.01 0.24 99.66 0.04 0.00 0.00 0.00 45 K H H 123.18 1.35 15.41 15.86 91.91 49.80 -65.02 -40.78 0.41 0.00 99.59 0.04 0.02 0.26 99.65 0.04 0.00 0.00 0.00 46 F H H 111.22 2.00 14.69 16.70 91.93 49.70 -64.36 -42.19 0.26 0.00 99.74 0.02 0.01 0.16 99.77 0.04 0.00 0.00 0.00 47 Y H H 126.52 2.00 14.51 16.60 92.01 49.19 -64.87 -40.89 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 48 A H H 56.56 1.94 14.34 16.45 91.77 50.88 -63.76 -41.14 0.15 0.00 99.85 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 49 E H H 109.63 1.46 15.12 15.83 91.81 49.81 -64.57 -41.31 0.24 0.00 99.76 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 50 L H H 88.21 1.94 14.06 16.12 91.86 49.44 -64.51 -41.41 0.28 0.00 99.72 0.03 0.01 0.17 99.75 0.04 0.00 0.00 0.00 51 A H H 55.76 2.01 13.44 15.95 91.46 50.86 -63.80 -41.01 0.37 0.00 99.63 0.05 0.02 0.22 99.66 0.05 0.00 0.00 0.00 52 E H H 107.78 1.43 13.60 14.67 91.75 50.40 -64.44 -40.44 0.80 0.00 99.20 0.11 0.05 0.49 99.25 0.11 0.00 0.00 0.00 53 R H H 137.17 1.32 12.82 13.84 91.88 50.38 -65.15 -40.02 1.43 0.00 98.57 0.23 0.11 0.86 98.57 0.23 0.00 0.00 0.00 54 K H H 120.61 1.56 11.18 13.17 92.10 50.98 -65.23 -39.24 3.04 0.01 96.95 0.60 0.27 1.81 96.84 0.46 0.00 0.00 0.00 55 K H H 139.98 1.13 10.56 11.88 92.76 51.28 -66.71 -37.52 7.40 0.01 92.59 1.13 0.61 5.10 92.19 0.95 0.00 0.00 0.01 56 Q H H 139.29 0.83 9.64 10.45 93.32 52.11 -69.90 -30.53 19.09 0.03 80.88 2.83 1.58 13.71 80.79 1.05 0.00 0.01 0.02 57 E H H 146.88 1.07 8.73 10.31 97.20 54.59 -79.58 -13.22 49.17 0.08 50.75 19.11 1.52 25.77 52.59 0.93 0.00 0.02 0.06 58 N C C 123.37 1.85 10.63 13.62 101.83 83.32 -60.32 49.93 99.94 0.01 0.06 99.32 0.16 0.46 0.04 0.00 0.00 0.00 0.00