# 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 126.44 4.11 10.08 15.98 113.86 -145.06 -88.92 130.60 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 94.53 2.96 9.07 13.98 118.46 -154.98 -103.84 138.34 98.40 0.48 1.12 96.83 0.90 0.98 0.58 0.24 0.00 0.16 0.30 2 P C C 96.69 3.15 8.38 13.35 109.98 -112.55 -70.07 144.31 83.33 0.99 15.68 57.98 9.92 15.35 5.28 10.36 0.00 0.49 0.61 3 A C C 87.91 1.96 8.94 12.19 99.58 -126.89 -73.79 -16.54 70.69 1.14 28.17 30.98 16.08 24.16 9.91 17.58 0.01 0.51 0.78 4 F C C 140.51 3.18 8.40 13.12 107.07 51.76 -94.21 85.59 62.83 2.14 35.02 32.36 12.94 18.06 14.22 20.14 0.02 0.95 1.31 5 A C C 69.76 3.94 9.63 15.29 104.34 128.36 -85.08 -8.46 69.26 1.33 29.41 41.67 15.61 11.84 18.12 11.39 0.01 0.58 0.79 6 S C C 60.65 2.85 11.51 15.45 120.12 54.52 -102.64 159.32 67.78 1.51 30.71 44.29 14.56 9.17 25.06 5.39 0.01 0.56 0.97 7 W H H 175.15 2.69 10.04 14.24 93.86 -109.76 -62.80 -35.29 13.21 0.14 86.64 3.42 2.57 7.58 78.14 8.09 0.06 0.07 0.07 8 N H H 108.90 1.37 12.29 13.75 92.59 55.01 -65.63 -37.65 8.31 0.06 91.63 1.50 1.00 5.51 82.23 9.68 0.02 0.03 0.02 9 E H H 100.70 2.91 11.73 15.86 93.05 51.81 -67.55 -38.02 5.07 0.05 94.88 1.17 0.67 3.02 83.87 11.22 0.01 0.03 0.01 10 F H H 102.53 4.73 10.59 16.96 92.94 52.00 -65.61 -39.74 4.81 0.04 95.15 0.98 0.62 2.98 86.08 9.30 0.01 0.03 0.01 11 F H H 133.16 2.10 12.45 15.20 93.33 51.02 -67.30 -36.26 10.56 0.09 89.36 1.61 1.17 7.30 79.21 10.59 0.04 0.05 0.04 12 A H H 76.07 1.79 12.48 14.73 93.88 55.59 -69.93 -28.02 26.15 0.15 73.70 2.85 2.49 20.29 65.65 8.49 0.07 0.07 0.09 13 M H H 109.49 3.77 10.57 15.84 97.52 57.30 -80.73 -9.87 49.55 0.49 49.96 9.92 9.35 31.27 42.38 6.43 0.08 0.19 0.38 14 G C H 47.55 3.04 12.79 16.94 103.05 -131.85 54.53 -5.52 57.48 0.56 41.96 15.55 9.19 33.01 33.37 8.18 0.04 0.23 0.42 15 G C H 44.30 3.62 13.24 17.79 100.98 19.86 -4.33 -32.79 50.18 0.40 49.42 10.11 9.00 31.03 41.17 8.14 0.07 0.16 0.31 16 Y H H 127.07 4.48 12.25 18.05 96.34 53.28 -72.14 -31.54 21.49 0.23 78.28 7.13 3.73 11.26 70.55 7.04 0.04 0.11 0.14 17 A H H 56.32 4.15 12.47 18.27 93.76 64.00 -64.57 -39.30 6.32 0.04 93.64 2.10 0.83 3.24 90.63 3.16 0.01 0.02 0.02 18 F H H 132.07 1.65 15.00 16.14 92.84 51.66 -66.10 -40.42 2.58 0.02 97.41 0.57 0.27 1.61 95.10 2.44 0.00 0.01 0.00 19 F H H 115.69 2.77 14.38 17.76 93.10 50.15 -66.71 -40.75 2.10 0.01 97.89 0.33 0.18 1.50 96.24 1.73 0.01 0.01 0.00 20 V H H 68.09 5.33 13.02 19.84 92.69 50.11 -65.22 -41.79 1.12 0.00 98.87 0.15 0.09 0.79 98.62 0.35 0.00 0.00 0.00 21 W H H 148.99 2.09 15.73 17.77 92.07 50.02 -64.68 -41.71 0.36 0.00 99.64 0.05 0.02 0.23 99.56 0.14 0.00 0.00 0.00 22 L H H 93.84 1.81 16.29 17.49 91.98 49.80 -64.81 -41.39 0.26 0.00 99.74 0.03 0.01 0.18 99.65 0.13 0.00 0.00 0.00 23 A H H 44.93 4.74 13.88 20.29 91.90 50.37 -64.37 -41.52 0.36 0.00 99.64 0.02 0.02 0.27 99.51 0.17 0.00 0.00 0.00 24 V H H 75.66 3.99 15.19 20.17 92.12 49.57 -64.78 -41.68 0.48 0.00 99.52 0.03 0.02 0.38 99.33 0.25 0.00 0.00 0.00 25 V H H 88.17 1.55 16.79 17.22 91.86 49.62 -64.48 -41.65 0.78 0.00 99.22 0.03 0.03 0.66 98.82 0.46 0.00 0.00 0.00 26 M H H 103.34 2.09 16.14 18.00 92.16 49.30 -65.19 -41.03 5.32 0.00 94.67 0.07 0.10 5.55 93.36 0.93 0.00 0.00 0.00 27 T H H 58.13 5.50 13.65 20.67 92.40 49.98 -65.40 -40.88 19.92 0.01 80.07 0.22 0.38 20.18 78.18 1.04 0.00 0.00 0.00 28 V H H 85.28 2.17 16.19 18.17 92.10 50.22 -64.65 -41.99 5.38 0.00 94.61 0.27 0.41 4.26 94.48 0.58 0.00 0.00 0.00 29 I H H 100.21 1.40 16.63 16.73 92.04 49.45 -64.49 -42.14 0.64 0.00 99.36 0.10 0.04 0.34 99.28 0.23 0.00 0.00 0.00 30 P H H 64.35 3.54 14.36 19.09 91.85 50.24 -64.40 -40.77 0.26 0.00 99.74 0.03 0.01 0.15 99.61 0.20 0.00 0.00 0.00 31 L H H 89.78 3.10 14.91 18.71 91.83 50.07 -64.54 -41.25 0.10 0.00 99.90 0.01 0.00 0.06 99.79 0.13 0.00 0.00 0.00 32 V H H 90.34 1.35 16.18 16.29 91.83 49.86 -64.57 -41.80 0.09 0.00 99.91 0.01 0.00 0.05 99.90 0.04 0.00 0.00 0.00 33 V H H 84.72 1.82 15.38 16.83 91.83 49.75 -64.79 -41.50 0.10 0.00 99.90 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 34 L H H 86.32 3.27 14.10 18.30 92.21 50.15 -64.80 -41.34 0.13 0.00 99.87 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 35 V H H 87.40 1.80 15.22 16.71 91.88 49.45 -64.39 -41.79 0.30 0.00 99.70 0.01 0.01 0.22 99.71 0.05 0.00 0.00 0.00 36 V H H 89.13 1.39 15.85 16.16 91.93 49.32 -64.73 -42.00 0.35 0.00 99.65 0.03 0.02 0.24 99.65 0.07 0.00 0.00 0.00 37 H H H 105.11 2.30 14.96 17.51 92.25 49.79 -65.08 -41.25 0.72 0.00 99.28 0.09 0.04 0.53 99.18 0.16 0.00 0.00 0.00 38 S H H 53.32 2.80 14.47 18.08 91.82 50.20 -64.10 -41.36 1.31 0.00 98.68 0.20 0.08 0.96 98.53 0.22 0.00 0.00 0.00 39 V H H 84.67 1.72 15.57 16.74 91.85 50.02 -64.12 -41.93 1.31 0.00 98.68 0.23 0.12 0.90 98.56 0.20 0.00 0.00 0.00 40 M H H 102.29 1.77 15.52 16.85 91.99 49.83 -64.57 -41.52 1.24 0.01 98.76 0.30 0.11 0.72 98.68 0.18 0.00 0.00 0.00 41 Q H H 101.30 2.10 15.05 17.25 91.89 50.23 -64.20 -41.00 0.99 0.00 99.01 0.30 0.08 0.50 98.98 0.15 0.00 0.00 0.00 42 H H H 113.69 1.91 15.33 17.09 91.80 50.09 -64.64 -40.93 0.61 0.00 99.39 0.14 0.04 0.33 99.35 0.13 0.00 0.00 0.00 43 R H H 135.41 1.70 15.60 16.89 91.89 50.23 -64.56 -40.78 0.49 0.00 99.51 0.10 0.03 0.28 99.46 0.12 0.00 0.00 0.00 44 A H H 56.24 2.30 15.20 17.78 91.95 50.79 -64.14 -41.24 0.57 0.00 99.42 0.12 0.04 0.33 99.40 0.12 0.00 0.00 0.00 45 I H H 95.87 1.97 15.49 17.28 91.89 49.50 -64.57 -41.82 0.85 0.00 99.15 0.18 0.06 0.48 99.15 0.14 0.00 0.00 0.00 46 L H H 95.10 1.94 15.40 17.21 91.76 49.63 -64.58 -41.23 1.08 0.00 98.92 0.22 0.07 0.62 98.92 0.17 0.00 0.00 0.00 47 R H H 140.04 1.57 15.83 16.77 91.89 49.84 -64.89 -40.70 1.14 0.00 98.85 0.19 0.07 0.68 98.91 0.15 0.00 0.00 0.00 48 G H H 34.51 2.34 15.38 18.08 91.83 50.46 -63.39 -41.84 2.13 0.00 97.87 0.34 0.14 1.27 98.05 0.19 0.00 0.00 0.00 49 V H H 77.57 2.21 15.57 17.80 91.91 49.30 -64.25 -41.74 1.59 0.00 98.41 0.40 0.14 0.80 98.46 0.20 0.00 0.00 0.00 50 A H H 56.56 2.15 15.28 17.61 91.50 50.57 -63.74 -41.22 1.00 0.00 99.00 0.26 0.08 0.47 99.03 0.16 0.00 0.00 0.00 51 Q H H 104.48 1.68 15.68 16.82 91.80 49.78 -64.89 -40.52 1.01 0.00 98.99 0.22 0.08 0.52 99.01 0.17 0.00 0.00 0.00 52 Q H H 102.10 1.88 15.27 16.96 91.88 50.19 -64.52 -41.23 0.80 0.00 99.19 0.15 0.06 0.43 99.20 0.15 0.00 0.00 0.00 53 R H H 140.50 1.59 15.37 16.54 91.73 49.78 -64.52 -40.81 0.75 0.00 99.25 0.14 0.06 0.39 99.28 0.13 0.00 0.00 0.00 54 A H H 57.92 1.93 14.75 16.70 91.43 50.43 -63.98 -41.19 0.86 0.00 99.13 0.17 0.06 0.44 99.20 0.13 0.00 0.00 0.00 55 R H H 134.36 1.56 15.34 16.31 91.85 49.58 -64.90 -41.14 0.72 0.00 99.28 0.13 0.05 0.38 99.31 0.13 0.00 0.00 0.00 56 E H H 103.75 1.87 14.99 16.74 91.75 50.12 -64.68 -41.03 0.63 0.00 99.37 0.11 0.05 0.33 99.41 0.11 0.00 0.00 0.00 57 A H H 58.66 1.93 14.61 16.61 91.59 50.31 -63.93 -40.90 0.67 0.00 99.33 0.11 0.04 0.35 99.39 0.10 0.00 0.00 0.00 58 R H H 143.93 1.37 14.95 15.65 91.88 49.92 -65.21 -40.72 0.70 0.00 99.30 0.12 0.05 0.36 99.35 0.11 0.00 0.00 0.00 59 L H H 95.11 1.64 14.46 15.83 91.94 49.68 -64.78 -41.17 0.77 0.00 99.22 0.15 0.06 0.40 99.28 0.12 0.00 0.00 0.00 60 R H H 137.87 1.42 14.85 15.64 91.93 49.66 -64.73 -41.08 0.84 0.00 99.16 0.15 0.06 0.43 99.23 0.12 0.00 0.00 0.00 61 A H H 56.46 1.80 13.88 15.80 91.45 50.45 -63.68 -40.94 1.05 0.00 98.95 0.19 0.08 0.56 99.01 0.16 0.00 0.00 0.00 62 A H H 57.35 1.78 13.23 15.26 91.63 50.64 -63.83 -40.98 1.36 0.00 98.64 0.26 0.10 0.74 98.66 0.23 0.00 0.00 0.00 63 Q H H 109.94 1.34 12.93 13.98 92.12 50.03 -65.35 -39.57 1.93 0.00 98.06 0.40 0.17 1.09 98.01 0.33 0.00 0.00 0.00 64 Q H H 114.25 1.26 11.82 12.99 92.31 50.58 -65.90 -38.97 3.18 0.01 96.82 0.73 0.32 1.79 96.65 0.51 0.00 0.00 0.00 65 Q H H 125.89 1.20 10.86 12.29 92.69 51.07 -66.48 -37.77 7.07 0.02 92.91 1.58 0.72 4.10 92.72 0.86 0.00 0.01 0.01 66 E H H 146.56 0.89 10.14 11.05 93.77 51.74 -69.15 -32.02 18.55 0.05 81.40 3.79 1.73 11.82 81.53 1.08 0.00 0.01 0.03 67 A H H 88.98 0.94 9.36 10.49 95.75 52.95 -76.59 -18.26 45.50 0.10 54.41 18.37 1.03 22.56 57.06 0.88 0.00 0.03 0.07 68 A C C 77.61 2.49 10.12 13.94 100.45 71.53 -76.15 -8.97 99.89 0.01 0.11 99.61 0.09 0.20 0.09 0.00 0.00 0.00 0.00