# 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 A C C 42.88 9.23 14.82 24.97 103.47 -113.06 -72.18 37.57 99.63 0.02 0.36 99.53 0.06 0.10 0.30 0.01 0.00 0.00 0.00 1 D H H 81.23 6.25 12.28 19.91 94.87 71.42 -65.49 -37.55 23.81 0.06 76.14 19.24 0.73 3.34 75.79 0.87 0.00 0.02 0.03 2 K H H 139.56 1.42 13.69 14.99 92.95 53.20 -66.26 -37.96 5.89 0.02 94.08 2.41 0.84 2.41 93.38 0.95 0.00 0.01 0.01 3 V H H 81.57 2.65 14.75 17.95 92.45 50.70 -65.75 -40.92 2.60 0.02 97.38 1.16 0.34 1.03 96.54 0.91 0.00 0.01 0.00 4 L H H 43.85 11.20 12.82 25.36 92.43 50.40 -65.32 -41.08 1.48 0.01 98.51 0.60 0.18 0.61 98.01 0.59 0.00 0.00 0.00 5 K H H 94.55 6.96 15.83 24.02 92.03 51.88 -63.89 -40.82 1.20 0.00 98.79 0.39 0.12 0.54 98.65 0.30 0.00 0.00 0.00 6 E H H 109.99 1.86 19.11 19.79 91.86 50.17 -64.99 -40.97 1.23 0.00 98.77 0.29 0.11 0.65 98.73 0.21 0.00 0.00 0.00 7 K H H 88.68 6.17 18.48 25.51 92.12 49.36 -65.29 -41.03 1.18 0.00 98.82 0.28 0.10 0.63 98.82 0.17 0.00 0.00 0.00 8 R H H 47.41 17.36 15.60 32.59 91.83 51.06 -63.72 -41.65 0.96 0.00 99.04 0.29 0.07 0.45 99.04 0.17 0.00 0.00 0.00 9 K H H 98.63 6.89 19.58 27.20 91.69 51.56 -63.48 -40.56 0.59 0.00 99.41 0.10 0.04 0.34 99.32 0.20 0.00 0.00 0.00 10 L H H 85.65 2.67 21.72 23.35 91.80 50.42 -64.39 -41.72 0.51 0.00 99.49 0.06 0.03 0.34 99.28 0.29 0.00 0.00 0.00 11 F H H 40.25 14.04 18.12 32.67 92.33 49.64 -64.75 -42.56 0.79 0.00 99.21 0.09 0.05 0.54 98.71 0.61 0.00 0.00 0.00 12 I H H 19.98 20.49 15.16 35.27 92.15 50.28 -65.11 -39.06 1.62 0.00 98.37 0.16 0.11 1.23 96.25 2.25 0.00 0.00 0.00 13 R H H 158.26 2.91 20.51 24.04 91.40 54.21 -66.77 -29.98 11.10 0.01 88.89 0.37 0.43 10.28 86.17 2.74 0.01 0.00 0.01 14 S H H 68.93 4.35 19.59 24.07 94.17 53.72 -83.23 -12.02 40.03 0.04 59.93 1.90 2.12 35.08 58.08 2.77 0.01 0.01 0.03 15 M C C 24.99 22.13 10.11 30.85 114.10 96.44 -83.82 133.06 79.83 0.88 19.29 48.63 22.43 7.31 19.29 1.34 0.00 0.21 0.78 16 G C C 29.95 4.97 21.55 26.49 129.77 -168.44 -108.74 176.42 90.94 0.43 8.63 84.88 3.18 1.79 9.32 0.39 0.00 0.11 0.33 17 E H H 112.60 9.44 15.06 25.24 92.45 -90.87 -61.65 -36.22 5.97 0.02 94.00 0.96 1.31 3.63 93.20 0.88 0.01 0.00 0.01 18 W H H 176.27 1.66 20.10 20.78 92.15 52.42 -65.43 -40.31 4.04 0.01 95.95 0.50 0.46 2.97 94.97 1.07 0.01 0.00 0.00 19 T H H 33.43 12.86 18.01 31.41 92.68 48.31 -65.79 -41.97 2.97 0.02 97.01 0.52 0.33 2.03 95.75 1.36 0.01 0.01 0.00 20 I H H 8.74 23.26 15.86 39.07 91.85 48.75 -64.07 -43.32 2.28 0.01 97.70 0.37 0.25 1.55 96.99 0.83 0.00 0.01 0.01 21 N H H 74.14 8.27 22.22 30.81 91.69 50.50 -63.65 -40.57 4.70 0.01 95.28 0.43 0.30 3.75 94.81 0.69 0.01 0.00 0.00 22 G H H 29.81 4.49 23.71 28.33 91.82 50.31 -64.46 -41.99 9.01 0.01 90.98 0.42 0.41 8.01 90.52 0.63 0.01 0.00 0.00 23 L H H 12.98 19.80 20.83 40.34 91.82 49.54 -64.63 -43.55 3.17 0.01 96.83 0.33 0.24 2.29 96.83 0.30 0.00 0.00 0.00 24 L H H 11.52 21.74 19.46 40.88 91.31 49.88 -62.96 -42.14 0.64 0.00 99.36 0.16 0.05 0.27 99.43 0.08 0.00 0.00 0.00 25 D H H 70.87 4.46 23.99 28.43 91.36 50.93 -63.36 -41.63 0.31 0.00 99.69 0.07 0.01 0.14 99.72 0.06 0.00 0.00 0.00 26 E H H 68.42 7.11 22.09 29.92 91.79 49.66 -64.88 -41.24 0.21 0.00 99.79 0.02 0.01 0.13 99.76 0.08 0.00 0.00 0.00 27 L H H 6.29 21.49 15.05 37.14 91.91 49.69 -64.14 -42.67 0.31 0.00 99.69 0.03 0.02 0.20 99.62 0.13 0.00 0.00 0.00 28 L H H 54.16 12.03 16.43 29.06 92.08 50.05 -64.39 -40.83 0.89 0.00 99.11 0.06 0.04 0.71 98.90 0.29 0.00 0.00 0.00 29 Q H H 133.73 1.45 18.99 19.68 90.93 52.66 -64.29 -33.31 4.89 0.01 95.10 0.07 0.13 4.97 94.53 0.28 0.01 0.00 0.00 30 T C T 61.60 8.25 14.51 24.29 93.47 48.60 -88.36 2.62 90.00 0.01 9.99 0.20 1.70 87.63 10.16 0.30 0.00 0.00 0.02 31 R C T 171.41 2.86 18.87 22.78 93.46 -119.39 62.12 32.69 99.51 0.00 0.48 0.21 2.24 97.19 0.32 0.04 0.00 0.00 0.00 32 V C S 23.20 17.29 16.02 33.90 95.93 130.48 -82.63 -28.89 99.81 0.15 0.05 8.15 90.85 0.85 0.02 0.01 0.00 0.04 0.08 33 L C S 8.51 22.94 12.42 35.51 134.01 23.90 -136.54 150.37 98.96 1.00 0.03 12.92 85.87 0.20 0.02 0.01 0.00 0.15 0.83 34 N C C 74.40 4.20 21.59 25.46 124.08 -128.05 -89.04 166.51 99.88 0.10 0.02 99.63 0.27 0.02 0.01 0.00 0.00 0.03 0.05 35 K H H 135.25 5.28 14.96 22.14 91.54 -102.58 -59.63 -37.32 2.03 0.00 97.97 0.34 0.33 1.11 97.77 0.45 0.00 0.00 0.00 36 E H H 126.06 1.38 19.82 19.51 91.59 53.07 -64.38 -40.51 1.06 0.00 98.94 0.10 0.08 0.77 98.34 0.72 0.00 0.00 0.00 37 E H H 39.10 12.84 16.08 29.95 92.05 49.17 -66.02 -40.96 0.46 0.00 99.54 0.07 0.03 0.29 98.84 0.76 0.00 0.00 0.00 38 M H H 22.36 18.54 13.97 32.57 91.57 51.61 -62.98 -42.38 0.29 0.00 99.71 0.06 0.02 0.16 99.41 0.35 0.00 0.00 0.00 39 E H H 96.53 2.75 21.43 23.50 91.33 50.76 -63.51 -40.61 0.56 0.00 99.44 0.07 0.03 0.38 99.10 0.42 0.00 0.00 0.00 40 K H H 98.99 3.44 21.02 24.22 91.90 50.63 -65.11 -40.75 1.19 0.00 98.81 0.10 0.06 0.89 98.24 0.70 0.00 0.00 0.00 41 V H H 10.12 19.92 13.26 33.46 92.00 50.71 -65.34 -40.96 1.92 0.00 98.07 0.25 0.17 1.24 97.60 0.73 0.00 0.00 0.00 42 K H H 95.70 11.04 16.79 27.97 92.15 53.15 -65.24 -35.13 7.00 0.02 92.98 1.00 0.60 4.95 91.68 1.74 0.00 0.01 0.01 43 R H H 171.24 1.24 18.77 18.68 94.11 52.88 -70.97 -31.90 20.45 0.05 79.50 1.74 1.92 16.35 77.63 2.29 0.02 0.02 0.03 44 E H H 110.45 5.04 15.36 21.40 98.24 50.71 -79.64 -20.44 37.81 0.12 62.06 6.10 7.07 24.11 60.49 2.07 0.02 0.03 0.10 45 N C C 52.44 14.16 10.31 24.13 109.30 55.62 -107.57 90.20 88.92 0.26 10.82 70.24 6.27 11.44 10.44 1.30 0.00 0.09 0.23 46 A C C 72.81 4.32 15.14 20.62 98.73 156.97 -80.86 -22.31 97.31 0.25 2.45 48.55 43.78 4.90 1.95 0.53 0.00 0.07 0.22 47 T C S 68.38 3.59 17.60 21.39 123.68 49.58 -105.24 156.57 96.16 1.63 2.21 25.40 69.21 1.25 2.15 0.21 0.00 0.25 1.53 48 V H H 69.25 11.87 14.55 27.00 93.05 -113.36 -59.48 -39.82 4.66 0.02 95.32 1.02 1.59 2.03 94.91 0.43 0.00 0.00 0.01 49 M H H 82.29 9.39 18.15 28.11 92.15 52.01 -63.73 -41.84 2.54 0.01 97.45 0.38 0.32 1.61 97.18 0.50 0.00 0.00 0.00 50 D H H 67.51 4.81 21.56 26.57 92.14 48.10 -65.79 -40.09 1.45 0.00 98.54 0.41 0.17 0.80 98.04 0.58 0.00 0.00 0.00 51 K H H 54.05 13.20 19.76 33.15 91.96 50.97 -64.11 -41.71 0.55 0.00 99.45 0.21 0.06 0.23 99.36 0.14 0.00 0.00 0.00 52 T H H 12.91 20.20 19.68 39.64 91.68 51.01 -63.44 -42.49 0.35 0.00 99.65 0.10 0.03 0.17 99.65 0.06 0.00 0.00 0.00 53 R H H 98.73 9.63 24.92 34.53 91.46 50.70 -63.80 -41.31 0.14 0.00 99.86 0.02 0.01 0.08 99.86 0.03 0.00 0.00 0.00 54 A H H 32.95 8.37 24.88 34.05 91.69 50.67 -64.34 -42.06 0.12 0.00 99.88 0.01 0.00 0.07 99.87 0.04 0.00 0.00 0.00 55 L H H 9.67 22.23 22.10 43.65 91.63 50.02 -63.73 -43.60 0.22 0.00 99.78 0.01 0.01 0.17 99.74 0.08 0.00 0.00 0.00 56 I H H 14.77 22.26 21.08 42.53 92.02 49.55 -63.95 -41.81 0.35 0.00 99.65 0.02 0.02 0.26 99.47 0.22 0.00 0.00 0.00 57 D H H 76.93 5.30 25.57 31.01 91.78 50.49 -65.02 -39.00 2.94 0.00 97.06 0.08 0.08 2.83 96.08 0.92 0.00 0.00 0.00 58 S H H 32.48 10.79 21.87 33.14 92.76 49.33 -69.61 -36.44 16.13 0.00 83.87 0.19 0.39 16.53 81.43 1.44 0.01 0.00 0.00 59 V H H 5.18 24.16 15.49 39.71 93.71 48.99 -73.05 -35.54 21.45 0.02 78.53 1.02 2.53 17.61 76.23 2.56 0.03 0.01 0.02 60 I H G 71.23 13.73 17.68 30.94 91.95 59.19 -63.10 -39.97 21.73 0.08 78.19 1.68 1.55 16.38 38.35 41.91 0.03 0.04 0.05 61 P H G 108.23 1.77 21.32 22.12 91.80 52.02 -68.56 -27.34 24.28 0.03 75.69 0.85 1.18 21.08 33.19 43.65 0.01 0.01 0.03 62 K H G 83.98 10.61 14.90 26.14 94.73 51.77 -86.26 -13.35 27.35 0.10 72.55 2.21 3.18 20.76 34.99 38.68 0.06 0.04 0.08 63 G C C 22.65 5.97 19.26 26.73 128.80 -119.22 93.67 174.59 59.71 0.19 40.10 46.40 9.07 2.50 40.85 0.99 0.00 0.04 0.14 64 A H H 55.48 12.56 15.91 28.48 92.44 -56.07 -62.52 -35.63 2.64 0.00 97.36 0.39 0.38 1.61 97.13 0.49 0.00 0.00 0.00 65 Q H H 116.06 2.52 24.26 26.34 91.23 53.57 -63.69 -40.73 0.96 0.00 99.04 0.14 0.07 0.60 98.82 0.37 0.00 0.00 0.00 66 A H H 9.19 16.79 18.80 36.45 91.52 50.45 -63.75 -41.88 0.29 0.00 99.71 0.05 0.02 0.15 99.51 0.27 0.00 0.00 0.00 67 C H H 7.30 22.81 18.48 40.97 91.57 51.22 -63.89 -40.89 0.22 0.00 99.78 0.03 0.01 0.13 99.68 0.15 0.00 0.00 0.00 68 Q H H 88.83 7.29 25.49 33.19 91.59 51.64 -63.87 -41.30 0.14 0.00 99.86 0.01 0.00 0.09 99.84 0.05 0.00 0.00 0.00 69 I H H 56.81 8.36 25.42 34.49 91.56 49.81 -64.24 -42.84 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 70 C H H 2.59 25.01 21.19 46.00 91.52 49.34 -63.93 -43.84 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 71 I H H 15.24 20.71 21.91 41.91 91.48 49.39 -63.80 -43.07 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 72 T H H 68.82 4.13 25.75 29.66 91.60 50.10 -64.04 -41.98 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 73 Y H H 43.16 11.12 21.59 33.82 91.62 49.05 -64.54 -42.83 0.11 0.00 99.89 0.00 0.00 0.08 99.89 0.02 0.00 0.00 0.00 74 I H H 5.54 22.98 16.75 40.03 91.94 48.79 -64.30 -42.70 0.14 0.00 99.86 0.01 0.01 0.10 99.84 0.04 0.00 0.00 0.00 75 C H H 36.41 12.61 16.52 29.90 91.60 51.26 -64.85 -38.73 0.55 0.00 99.45 0.03 0.02 0.41 99.40 0.13 0.00 0.00 0.00 76 E H H 137.79 1.49 19.97 20.33 93.16 47.92 -69.09 -36.97 2.73 0.00 97.26 0.07 0.10 2.47 97.17 0.19 0.00 0.00 0.00 77 E H H 93.84 7.63 16.63 25.08 98.03 37.20 -84.90 -32.11 6.38 0.01 93.61 0.17 0.59 5.51 93.56 0.16 0.01 0.00 0.00 78 D C C 35.47 14.45 11.94 26.68 114.54 19.12 -134.38 87.75 97.66 0.11 2.23 87.15 8.34 1.71 2.46 0.19 0.00 0.03 0.11 79 S H G 73.30 4.93 14.75 21.80 93.20 -173.55 -63.78 -24.64 30.82 0.05 69.13 1.43 1.70 26.29 31.80 38.71 0.01 0.02 0.04 80 Y H G 139.71 4.00 18.27 23.05 92.13 62.87 -70.01 -23.78 26.80 0.06 73.14 1.08 1.51 22.75 36.16 38.40 0.02 0.03 0.05 81 L H G 21.87 19.07 13.31 32.02 93.94 56.14 -74.01 -27.87 24.34 0.22 75.44 3.35 2.98 15.88 38.31 39.21 0.03 0.11 0.12 82 A H H 34.11 15.08 12.65 27.43 99.88 60.35 -81.80 -10.08 48.14 1.40 50.47 15.77 10.42 22.76 33.92 15.43 0.11 0.59 1.01 83 G C C 45.40 4.74 14.68 20.63 112.85 86.75 -87.55 147.43 89.04 0.75 10.21 55.78 3.65 30.30 6.47 2.97 0.00 0.39 0.44 84 T C C 98.03 4.31 14.18 20.11 108.02 -104.55 -91.49 92.82 99.95 0.02 0.02 99.83 0.09 0.05 0.01 0.00 0.00 0.01 0.00