# 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 114.84 5.71 13.54 20.49 115.42 -163.72 -92.60 133.55 99.93 0.06 0.01 99.88 0.06 0.03 0.00 0.00 0.00 0.02 0.01 1 A C C 68.32 6.71 10.81 19.05 113.52 -132.77 -84.85 135.55 96.32 1.41 2.27 92.99 0.79 2.99 1.51 0.42 0.00 0.69 0.61 2 R C C 117.49 7.64 11.13 20.24 116.48 -145.40 -92.93 139.11 95.44 1.70 2.86 75.82 16.53 2.83 2.26 0.70 0.00 0.64 1.22 3 T C C 66.32 3.89 16.09 20.70 119.16 -118.48 -80.78 156.82 96.68 0.30 3.02 85.24 10.28 0.59 3.46 0.18 0.00 0.09 0.17 4 P H H 63.38 11.36 11.77 23.93 92.26 -110.19 -58.59 -37.61 5.87 0.02 94.12 2.29 0.85 2.54 93.34 0.97 0.00 0.01 0.01 5 E H H 124.28 2.04 16.69 18.73 92.27 53.42 -64.79 -39.49 2.42 0.01 97.57 0.55 0.26 1.39 96.91 0.89 0.00 0.00 0.00 6 E H H 86.37 4.01 17.32 22.07 92.09 50.04 -65.89 -40.31 0.79 0.00 99.21 0.25 0.09 0.38 98.58 0.71 0.00 0.00 0.00 7 I H H 22.39 15.86 13.64 30.23 91.88 50.74 -64.09 -42.78 0.38 0.00 99.62 0.12 0.04 0.17 99.50 0.17 0.00 0.00 0.00 8 V H H 54.08 8.45 17.70 27.40 91.86 50.09 -63.62 -42.11 0.31 0.00 99.69 0.07 0.02 0.16 99.68 0.07 0.00 0.00 0.00 9 K H H 117.86 1.82 21.72 21.77 91.74 49.84 -64.36 -41.78 0.36 0.00 99.64 0.06 0.02 0.21 99.63 0.07 0.00 0.00 0.00 10 R H H 89.64 9.01 19.14 28.81 92.21 49.80 -65.33 -41.41 0.48 0.00 99.52 0.07 0.03 0.32 99.50 0.09 0.00 0.00 0.00 11 Y H H 48.16 16.54 16.32 32.64 92.09 49.74 -64.81 -41.34 0.47 0.00 99.53 0.08 0.03 0.28 99.54 0.07 0.00 0.00 0.00 12 K H H 112.60 3.47 21.99 25.37 91.63 50.63 -63.70 -41.55 0.52 0.00 99.48 0.08 0.03 0.31 99.51 0.06 0.00 0.00 0.00 13 E H H 100.09 2.66 22.31 23.91 91.74 49.19 -64.72 -41.35 0.67 0.00 99.33 0.09 0.04 0.42 99.38 0.07 0.00 0.00 0.00 14 A H H 13.36 14.93 16.07 32.18 91.68 51.01 -63.87 -41.46 0.65 0.00 99.35 0.09 0.04 0.36 99.44 0.06 0.00 0.00 0.00 15 N H H 59.25 10.07 18.82 29.57 91.77 51.51 -63.56 -40.76 0.80 0.00 99.20 0.14 0.05 0.44 99.31 0.07 0.00 0.00 0.00 16 I H H 93.60 1.92 21.92 21.95 91.69 49.91 -64.02 -42.39 0.34 0.00 99.66 0.04 0.02 0.19 99.69 0.06 0.00 0.00 0.00 17 W H H 100.11 6.71 19.47 27.15 91.96 49.49 -64.35 -42.33 0.30 0.00 99.70 0.04 0.02 0.17 99.70 0.07 0.00 0.00 0.00 18 L H H 26.76 15.81 15.07 31.37 91.79 50.16 -64.34 -41.41 0.41 0.00 99.59 0.04 0.02 0.27 99.57 0.09 0.00 0.00 0.00 19 R H H 124.10 3.51 19.89 23.65 91.77 50.91 -63.90 -41.22 0.91 0.00 99.09 0.07 0.04 0.70 99.03 0.16 0.00 0.00 0.00 20 H H H 102.45 2.21 19.67 20.86 91.99 49.40 -64.89 -41.15 2.66 0.00 97.34 0.26 0.17 2.07 97.10 0.39 0.00 0.00 0.00 21 W H H 58.34 10.99 14.57 27.09 92.41 50.35 -64.87 -41.47 2.52 0.01 97.48 0.40 0.24 1.69 96.72 0.94 0.00 0.00 0.00 22 K H H 78.94 10.39 13.87 25.12 92.22 51.51 -64.46 -39.87 2.62 0.01 97.37 0.44 0.24 1.77 96.00 1.52 0.00 0.01 0.00 23 Q H H 130.66 1.24 16.33 16.65 92.88 49.66 -67.38 -37.08 4.97 0.01 95.01 0.45 0.36 3.99 93.22 1.96 0.01 0.00 0.01 24 Q H H 120.28 2.25 14.79 17.44 95.85 44.89 -74.82 -35.27 11.88 0.03 88.09 0.86 1.02 9.78 86.73 1.56 0.02 0.01 0.01 25 I H H 74.93 8.25 11.56 21.03 100.20 35.57 -94.05 -15.97 35.38 0.29 64.33 5.64 7.25 23.11 61.94 1.70 0.07 0.08 0.22 26 G C C 48.49 3.19 15.22 19.35 102.81 -127.01 69.97 22.16 78.59 0.55 20.85 40.23 9.10 29.86 10.41 9.79 0.00 0.25 0.37 27 L C C 86.49 7.29 12.68 21.12 104.72 114.66 -86.40 13.19 71.19 1.11 27.70 37.18 13.24 20.12 8.86 19.39 0.00 0.48 0.72 28 A C C 40.51 10.91 9.88 21.65 113.06 65.21 -82.87 134.56 77.52 0.90 21.58 54.47 8.23 13.55 6.97 15.81 0.00 0.45 0.52 29 K C C 158.61 1.72 14.24 16.34 99.13 -159.84 -84.60 -19.38 85.72 0.49 13.79 45.83 25.42 13.72 4.62 9.85 0.00 0.20 0.35 30 D C S 77.42 3.09 12.96 17.13 122.28 57.22 -106.80 147.27 95.15 0.73 4.12 46.49 46.67 1.89 3.41 0.73 0.00 0.16 0.65 31 E H H 137.12 2.42 11.55 15.56 92.81 -124.47 -60.38 -36.94 4.46 0.01 95.53 0.83 0.90 2.54 93.94 1.77 0.00 0.00 0.00 32 E H H 134.89 1.04 14.45 14.54 91.86 52.74 -64.88 -40.04 2.99 0.01 97.00 0.38 0.29 2.11 95.25 1.96 0.00 0.00 0.00 33 Q H H 68.56 6.80 12.81 21.43 92.36 48.59 -66.51 -39.54 1.59 0.01 98.41 0.35 0.16 0.92 96.66 1.90 0.00 0.00 0.00 34 R H H 86.78 9.86 13.18 24.16 91.77 52.70 -62.95 -41.39 0.57 0.00 99.43 0.15 0.05 0.26 99.19 0.34 0.00 0.00 0.00 35 E H H 110.07 1.87 19.12 19.88 91.77 50.24 -64.57 -41.36 0.50 0.00 99.50 0.10 0.03 0.27 99.45 0.15 0.00 0.00 0.00 36 M H H 90.33 3.03 19.02 21.97 91.88 49.79 -64.38 -41.82 0.51 0.00 99.49 0.09 0.03 0.29 99.46 0.14 0.00 0.00 0.00 37 F H H 38.47 13.20 14.69 29.06 92.09 49.99 -64.71 -41.49 0.51 0.00 99.49 0.09 0.03 0.29 99.48 0.11 0.00 0.00 0.00 38 T H H 54.73 7.14 17.88 26.18 91.88 50.26 -63.94 -41.54 0.56 0.00 99.44 0.09 0.04 0.32 99.46 0.09 0.00 0.00 0.00 39 Q H H 104.97 1.74 20.85 20.78 92.24 50.11 -64.83 -41.37 0.66 0.00 99.34 0.07 0.04 0.44 99.34 0.11 0.00 0.00 0.00 40 Y H H 96.35 5.81 18.55 25.28 92.20 48.96 -65.34 -41.65 0.83 0.00 99.16 0.10 0.05 0.56 99.15 0.13 0.00 0.00 0.00 41 Y H H 51.55 13.90 15.04 29.54 92.29 49.76 -65.00 -41.51 0.67 0.00 99.33 0.12 0.05 0.39 99.33 0.11 0.00 0.00 0.00 42 E H H 98.21 3.96 19.20 23.50 91.81 51.11 -63.88 -41.39 0.62 0.00 99.38 0.10 0.04 0.37 99.39 0.09 0.00 0.00 0.00 43 E H H 105.91 2.01 20.37 21.00 92.22 49.21 -65.08 -41.34 0.77 0.00 99.23 0.10 0.05 0.48 99.27 0.09 0.00 0.00 0.00 44 R H H 85.02 9.19 17.60 27.60 92.39 49.36 -65.37 -40.98 0.78 0.00 99.22 0.11 0.05 0.47 99.27 0.09 0.00 0.00 0.00 45 V H H 45.94 11.34 15.98 28.23 92.01 49.92 -64.03 -41.77 0.41 0.00 99.59 0.07 0.03 0.22 99.61 0.07 0.00 0.00 0.00 46 Q H H 109.95 1.99 20.25 21.28 92.07 50.17 -64.36 -40.82 0.33 0.00 99.67 0.05 0.02 0.18 99.68 0.07 0.00 0.00 0.00 47 E H H 101.34 3.24 19.73 22.88 92.34 49.37 -65.51 -41.01 0.50 0.00 99.50 0.07 0.03 0.29 99.49 0.11 0.00 0.00 0.00 48 I H H 42.63 11.87 15.76 28.66 92.50 49.14 -65.25 -41.40 0.63 0.00 99.37 0.08 0.04 0.39 99.27 0.21 0.00 0.00 0.00 49 A H H 46.08 6.38 17.35 24.96 91.89 51.62 -63.95 -39.59 1.33 0.00 98.67 0.12 0.08 0.94 98.24 0.62 0.00 0.00 0.00 50 A H H 64.13 2.33 19.13 20.76 92.11 52.24 -66.45 -36.78 7.41 0.00 92.59 0.28 0.28 6.73 91.39 1.31 0.00 0.00 0.00 51 L H H 76.18 7.23 16.36 24.54 94.12 50.94 -74.71 -26.79 30.30 0.02 69.67 1.14 1.46 26.69 69.18 1.49 0.01 0.01 0.02 52 E H H 74.89 10.92 15.28 26.49 94.91 61.90 -68.79 -34.54 26.12 0.06 73.82 5.03 3.74 16.48 73.19 1.49 0.01 0.02 0.05 53 E H H 108.05 2.96 18.83 21.78 93.06 60.29 -64.17 -42.21 6.48 0.01 93.51 2.35 0.98 2.89 92.32 1.46 0.00 0.00 0.00 54 P H H 69.39 4.01 18.38 22.84 92.42 49.80 -65.06 -39.61 4.34 0.01 95.65 1.78 0.39 1.98 94.58 1.26 0.00 0.01 0.00 55 Y H H 83.58 10.10 16.60 27.22 92.49 50.18 -65.39 -41.13 1.21 0.01 98.78 0.42 0.12 0.59 98.10 0.77 0.00 0.00 0.00 56 R H H 116.51 4.84 19.34 24.74 91.97 51.19 -63.97 -41.60 0.42 0.00 99.57 0.11 0.04 0.20 99.51 0.14 0.00 0.00 0.00 57 A H H 52.93 2.62 19.81 21.87 91.58 50.25 -63.40 -41.68 0.30 0.00 99.70 0.05 0.02 0.16 99.70 0.07 0.00 0.00 0.00 58 A H H 38.45 6.67 17.25 25.37 91.73 50.67 -64.42 -41.39 0.25 0.00 99.75 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 59 L H H 62.56 7.86 16.90 25.86 91.98 50.58 -64.39 -41.09 0.21 0.00 99.79 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 60 K H H 118.39 2.20 19.59 21.11 91.70 50.93 -64.27 -41.33 0.29 0.00 99.71 0.04 0.01 0.16 99.75 0.04 0.00 0.00 0.00 61 I H H 85.74 2.89 17.99 20.88 91.87 49.24 -64.15 -42.47 0.37 0.00 99.63 0.05 0.02 0.21 99.66 0.06 0.00 0.00 0.00 62 L H H 63.86 6.72 15.28 23.41 91.73 49.54 -64.40 -41.67 0.45 0.00 99.55 0.07 0.03 0.25 99.56 0.09 0.00 0.00 0.00 63 N H H 77.82 3.38 15.67 19.90 91.80 50.86 -64.13 -40.56 1.25 0.00 98.75 0.18 0.08 0.78 98.74 0.22 0.00 0.00 0.00 64 Q H H 103.49 1.53 15.36 16.19 91.76 50.29 -65.18 -39.87 2.31 0.00 97.68 0.35 0.19 1.50 97.48 0.47 0.00 0.00 0.00 65 Q H H 95.24 2.74 12.97 16.63 92.18 50.63 -66.59 -39.08 4.04 0.01 95.95 0.82 0.44 2.48 95.33 0.92 0.00 0.00 0.00 66 E H H 107.58 3.29 11.10 15.79 92.52 51.75 -67.16 -35.91 9.63 0.02 90.35 1.65 0.92 6.47 89.18 1.75 0.01 0.01 0.01 67 S H H 84.60 1.21 10.52 12.12 93.07 55.20 -70.76 -25.28 28.36 0.07 71.57 4.17 2.25 20.95 70.68 1.87 0.01 0.02 0.05 68 Q C H 140.16 1.10 9.44 11.03 97.27 56.78 -80.43 -8.34 58.18 0.16 41.66 25.72 1.48 28.45 42.74 1.44 0.00 0.05 0.11 69 R C C 161.57 2.78 10.20 14.67 103.86 89.02 -80.70 51.18 99.96 0.01 0.03 99.84 0.06 0.08 0.02 0.00 0.00 0.00 0.00