# 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 69.76 11.64 13.51 25.79 119.74 -155.27 -97.09 140.32 99.96 0.04 0.01 99.91 0.05 0.02 0.00 0.00 0.00 0.01 0.01 1 K C C 111.91 3.92 18.07 22.23 114.62 -122.43 -80.28 143.57 90.08 2.39 7.53 87.23 1.14 1.48 7.11 0.50 0.00 0.59 1.95 2 A H H 34.94 15.48 10.60 25.79 93.86 -117.93 -60.36 -38.18 11.63 0.08 88.29 3.84 2.37 5.80 82.89 5.00 0.02 0.04 0.05 3 N H H 101.83 2.51 16.23 19.16 92.16 55.55 -65.08 -36.55 7.23 0.04 92.73 1.56 1.09 4.39 85.97 6.93 0.01 0.02 0.02 4 D H H 77.06 3.35 17.07 20.83 92.84 51.71 -66.68 -37.99 4.74 0.04 95.21 1.23 0.67 2.71 87.65 7.70 0.00 0.02 0.01 5 I H H 20.23 18.93 11.59 30.19 92.72 51.95 -66.46 -38.72 4.30 0.03 95.67 0.92 0.56 2.56 88.15 7.78 0.00 0.02 0.01 6 R H H 110.18 10.79 15.08 26.34 91.62 58.02 -65.92 -27.73 22.18 0.04 77.79 0.92 1.10 20.07 71.81 6.04 0.02 0.01 0.03 7 D C T 119.37 1.02 18.53 17.81 94.75 52.68 -88.83 -5.45 58.38 0.04 41.58 1.62 2.52 54.58 36.28 4.93 0.01 0.01 0.04 8 L C S 40.03 14.26 8.55 23.14 119.02 106.41 -77.60 147.76 98.72 0.23 1.06 44.50 53.24 0.88 0.96 0.12 0.00 0.04 0.26 9 S C C 57.34 2.30 19.79 20.92 120.45 -115.56 -76.15 162.45 99.18 0.42 0.41 98.40 0.70 0.14 0.32 0.03 0.00 0.07 0.34 10 T H H 65.78 12.17 12.16 24.72 92.23 -103.95 -58.85 -37.90 1.97 0.00 98.02 0.51 0.40 0.91 97.90 0.28 0.00 0.00 0.00 11 T H H 93.79 1.43 18.17 18.39 92.22 52.97 -64.23 -40.25 0.84 0.00 99.15 0.11 0.08 0.56 98.92 0.32 0.00 0.00 0.00 12 E H H 92.24 3.58 18.29 22.21 91.72 49.18 -65.30 -40.48 0.36 0.00 99.63 0.07 0.03 0.22 99.36 0.33 0.00 0.00 0.00 13 I H H 14.12 18.34 12.65 31.50 91.77 50.26 -63.71 -42.93 0.14 0.00 99.86 0.02 0.01 0.07 99.81 0.09 0.00 0.00 0.00 14 Q H H 79.81 7.96 18.53 27.32 91.34 50.59 -62.77 -41.74 0.19 0.00 99.81 0.02 0.01 0.10 99.83 0.04 0.00 0.00 0.00 15 D H H 90.86 1.45 22.04 20.98 92.06 49.36 -64.56 -41.28 0.26 0.00 99.74 0.02 0.01 0.16 99.77 0.04 0.00 0.00 0.00 16 Q H H 74.19 8.06 19.54 28.30 92.00 49.08 -65.72 -40.44 0.29 0.00 99.71 0.03 0.01 0.17 99.74 0.05 0.00 0.00 0.00 17 E H H 26.88 17.70 15.22 33.06 91.82 51.19 -63.60 -41.82 0.29 0.00 99.71 0.03 0.01 0.18 99.72 0.06 0.00 0.00 0.00 18 K H H 114.32 2.93 22.03 24.59 91.56 50.89 -63.74 -40.81 0.47 0.00 99.53 0.05 0.02 0.30 99.55 0.08 0.00 0.00 0.00 19 A H H 54.06 2.56 21.55 23.16 91.51 50.46 -64.13 -41.24 1.24 0.00 98.76 0.09 0.05 0.90 98.83 0.13 0.00 0.00 0.00 20 L H H 22.70 15.19 16.03 32.13 91.80 50.26 -64.71 -41.41 1.41 0.00 98.59 0.21 0.08 0.87 98.71 0.13 0.00 0.00 0.00 21 K H H 89.29 10.47 18.81 29.52 91.38 52.63 -62.28 -41.65 0.53 0.00 99.47 0.10 0.03 0.25 99.57 0.06 0.00 0.00 0.00 22 E H H 113.62 1.55 22.39 21.58 91.84 50.03 -64.13 -41.63 0.23 0.00 99.77 0.03 0.01 0.11 99.81 0.04 0.00 0.00 0.00 23 E H H 83.67 6.11 20.02 26.83 91.82 49.45 -64.98 -41.06 0.21 0.00 99.79 0.02 0.01 0.12 99.80 0.05 0.00 0.00 0.00 24 L H H 25.17 16.40 15.13 31.96 91.77 50.40 -64.09 -41.81 0.23 0.00 99.77 0.02 0.01 0.13 99.78 0.06 0.00 0.00 0.00 25 F H H 104.59 3.57 20.67 24.21 91.68 50.40 -63.69 -41.40 0.28 0.00 99.72 0.02 0.01 0.19 99.73 0.05 0.00 0.00 0.00 26 N H H 87.29 2.25 21.23 22.22 91.93 49.89 -64.80 -40.83 0.85 0.00 99.15 0.05 0.03 0.64 99.20 0.09 0.00 0.00 0.00 27 L H H 27.98 13.42 14.78 29.39 91.89 51.22 -64.37 -41.01 0.73 0.00 99.27 0.07 0.03 0.46 99.19 0.24 0.00 0.00 0.00 28 R H H 108.88 8.20 17.28 26.35 91.72 52.25 -63.08 -41.35 0.71 0.00 99.29 0.11 0.05 0.41 99.05 0.39 0.00 0.00 0.00 29 F H H 125.89 1.40 18.97 18.48 92.07 49.58 -64.72 -40.69 1.19 0.00 98.80 0.13 0.09 0.83 98.47 0.47 0.00 0.00 0.00 30 Q H H 72.56 4.77 15.12 21.33 92.57 49.41 -66.04 -40.16 2.58 0.02 97.40 0.47 0.29 1.68 96.90 0.64 0.01 0.01 0.01 31 L H H 52.14 11.73 11.20 23.71 92.48 52.41 -64.96 -40.32 3.85 0.03 96.12 0.68 0.39 2.70 94.16 2.04 0.01 0.01 0.01 32 A H H 82.40 1.97 13.78 16.50 91.69 53.18 -66.23 -30.35 10.14 0.03 89.83 0.61 0.63 8.95 88.02 1.73 0.02 0.01 0.02 33 T C T 99.50 1.31 13.08 14.04 93.98 48.99 -87.13 -2.62 65.57 0.05 34.38 0.70 2.67 61.48 33.20 1.88 0.01 0.02 0.06 34 G C T 56.32 2.51 11.71 15.86 95.81 -107.95 79.74 9.65 99.12 0.03 0.85 3.06 8.18 88.05 0.44 0.24 0.00 0.02 0.02 35 Q C C 124.02 2.11 13.44 16.40 97.02 122.66 -84.39 -12.50 99.21 0.18 0.61 64.83 32.24 2.10 0.19 0.42 0.00 0.06 0.15 36 L C C 49.34 14.18 7.40 21.05 117.59 67.28 -107.31 127.40 98.10 0.54 1.36 80.53 14.80 2.57 0.42 0.94 0.00 0.16 0.59 37 E C S 151.48 1.48 15.51 17.07 98.87 -166.50 -84.46 -25.58 99.28 0.13 0.59 45.18 52.07 2.09 0.26 0.25 0.00 0.04 0.11 38 N C C 81.40 5.00 13.28 19.86 108.83 49.66 -112.32 92.03 98.87 0.20 0.93 79.89 17.13 1.84 0.57 0.30 0.00 0.05 0.22 39 T H H 72.94 8.11 11.54 21.40 93.72 -173.40 -65.08 -32.69 11.98 0.05 87.98 5.76 2.08 4.30 85.30 2.51 0.00 0.02 0.03 40 A H H 71.61 1.51 17.24 17.73 91.32 57.76 -63.80 -39.89 4.31 0.01 95.68 0.73 0.45 2.79 93.44 2.58 0.00 0.00 0.00 41 R H H 108.91 5.34 17.12 23.47 92.20 50.02 -66.16 -39.92 1.93 0.01 98.06 0.48 0.18 1.09 95.69 2.54 0.00 0.00 0.00 42 I H H 24.44 16.49 12.94 29.86 92.01 51.29 -63.62 -42.33 0.55 0.00 99.45 0.16 0.05 0.26 99.11 0.42 0.00 0.00 0.00 43 R H H 128.21 3.17 20.80 23.86 91.64 51.12 -63.69 -41.07 0.43 0.00 99.57 0.12 0.03 0.21 99.49 0.15 0.00 0.00 0.00 44 E H H 103.96 2.59 21.67 23.36 91.93 49.86 -64.83 -41.55 0.36 0.00 99.64 0.06 0.02 0.21 99.61 0.10 0.00 0.00 0.00 45 V H H 22.55 15.65 16.53 32.76 91.92 49.97 -64.46 -42.20 0.37 0.00 99.62 0.07 0.03 0.21 99.62 0.07 0.00 0.00 0.00 46 R H H 104.42 10.22 19.96 30.34 91.73 51.31 -63.08 -41.65 0.31 0.00 99.69 0.05 0.01 0.17 99.73 0.04 0.00 0.00 0.00 47 K H H 119.43 1.97 23.54 23.87 91.82 49.50 -64.60 -41.29 0.16 0.00 99.84 0.01 0.01 0.08 99.87 0.02 0.00 0.00 0.00 48 A H H 31.84 8.90 20.25 30.38 91.82 49.58 -64.65 -41.52 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 49 I H H 23.75 17.10 17.62 34.93 91.66 50.09 -63.47 -42.54 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.02 0.00 0.00 0.00 50 A H H 50.88 3.99 22.43 26.31 91.16 51.08 -62.89 -42.01 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 51 R H H 126.71 3.00 23.27 25.72 91.56 49.74 -64.46 -41.64 0.18 0.00 99.82 0.01 0.01 0.12 99.83 0.03 0.00 0.00 0.00 52 M H H 29.77 16.23 17.56 34.20 91.82 50.28 -64.46 -41.90 0.16 0.00 99.84 0.01 0.00 0.10 99.85 0.02 0.00 0.00 0.00 53 K H H 88.69 9.95 20.52 30.62 91.55 51.09 -63.11 -40.91 0.20 0.00 99.80 0.02 0.01 0.13 99.82 0.03 0.00 0.00 0.00 54 T H H 68.49 2.44 22.19 23.28 91.81 50.10 -63.77 -42.03 0.25 0.00 99.75 0.03 0.01 0.15 99.77 0.03 0.00 0.00 0.00 55 I H H 49.15 7.60 19.09 28.07 91.83 49.41 -64.27 -42.86 0.22 0.00 99.78 0.03 0.01 0.12 99.80 0.03 0.00 0.00 0.00 56 V H H 25.38 13.62 15.28 30.14 91.68 49.73 -63.77 -42.45 0.28 0.00 99.72 0.04 0.02 0.15 99.74 0.05 0.00 0.00 0.00 57 R H H 124.85 3.21 17.92 21.51 91.85 50.18 -64.07 -41.10 0.59 0.00 99.41 0.09 0.04 0.34 99.43 0.11 0.00 0.00 0.00 58 E H H 111.24 2.07 16.37 18.18 92.33 50.01 -65.47 -39.91 1.10 0.00 98.90 0.15 0.08 0.69 98.83 0.24 0.00 0.00 0.00 59 R H H 117.53 5.72 13.47 20.50 92.91 49.95 -67.21 -38.40 3.12 0.00 96.88 0.40 0.24 2.14 96.59 0.61 0.00 0.00 0.00 60 E H H 113.71 4.65 12.16 18.28 92.75 51.66 -67.29 -33.44 11.15 0.01 88.83 1.19 0.80 8.24 88.97 0.77 0.00 0.01 0.01 61 L H H 121.94 1.62 11.42 13.63 95.21 51.29 -78.17 -18.82 36.50 0.08 63.41 12.85 1.14 19.89 65.30 0.74 0.00 0.02 0.06 62 A C C 73.95 3.48 11.82 16.80 101.57 76.59 -74.73 -9.65 99.94 0.01 0.05 99.75 0.07 0.14 0.03 0.00 0.00 0.00 0.00