# 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 125.66 3.54 10.52 15.67 115.39 -154.04 -94.23 135.61 99.87 0.08 0.05 99.73 0.14 0.06 0.02 0.00 0.00 0.03 0.02 1 A C C 77.91 2.95 8.50 13.18 110.73 -128.58 -81.84 138.48 83.34 1.37 15.29 76.99 1.51 5.56 12.45 2.10 0.00 0.66 0.72 2 S C C 84.21 1.99 8.82 12.15 107.96 -132.38 -83.75 119.11 71.79 1.45 26.76 48.39 10.93 11.98 22.53 4.72 0.00 0.65 0.80 3 N C H 119.75 2.03 9.30 12.55 102.75 -88.85 -83.17 3.55 52.37 0.92 46.71 25.87 13.13 15.17 38.51 6.39 0.02 0.37 0.53 4 N H H 105.04 2.75 9.90 14.05 100.94 77.59 -79.62 -15.61 43.11 0.72 56.17 21.78 10.30 12.98 48.36 5.86 0.03 0.30 0.39 5 T H H 88.86 2.63 11.17 14.93 97.73 75.03 -72.25 -32.56 29.79 0.53 69.69 15.59 6.85 8.94 63.76 4.36 0.02 0.23 0.24 6 A H H 66.09 2.51 12.17 15.53 95.85 58.75 -69.41 -37.24 26.91 0.43 72.66 15.04 5.22 7.44 69.20 2.73 0.01 0.18 0.18 7 S H H 62.57 2.62 12.89 16.26 95.86 54.97 -68.63 -39.35 20.16 0.32 79.53 12.75 3.46 4.70 77.12 1.70 0.00 0.14 0.13 8 I H H 97.09 2.51 13.12 16.34 93.34 51.64 -65.74 -40.77 4.93 0.05 95.02 2.39 0.86 1.75 94.22 0.74 0.00 0.02 0.02 9 A H H 57.62 2.09 14.31 16.68 91.98 51.18 -63.83 -41.26 2.67 0.02 97.30 1.16 0.36 1.11 96.81 0.54 0.00 0.01 0.01 10 Q H H 103.67 1.86 15.03 16.72 92.26 49.65 -65.47 -40.66 2.01 0.02 97.98 0.79 0.26 0.89 97.63 0.42 0.00 0.01 0.01 11 A H H 55.60 2.70 13.96 17.52 91.90 50.74 -63.92 -41.06 1.40 0.01 98.60 0.50 0.14 0.64 98.46 0.26 0.00 0.00 0.00 12 R H H 140.30 1.85 15.08 16.90 91.71 50.69 -64.81 -40.15 0.96 0.00 99.04 0.28 0.09 0.47 99.00 0.16 0.00 0.00 0.00 13 K H H 122.12 1.63 15.48 16.62 91.94 50.36 -65.04 -40.89 0.75 0.00 99.25 0.19 0.07 0.38 99.25 0.11 0.00 0.00 0.00 14 L H H 90.73 1.94 15.17 16.98 91.94 50.05 -64.53 -41.56 0.59 0.00 99.41 0.14 0.05 0.31 99.40 0.10 0.00 0.00 0.00 15 V H H 79.32 2.26 14.82 17.28 91.77 49.49 -64.28 -41.86 0.46 0.00 99.54 0.10 0.04 0.24 99.54 0.07 0.00 0.00 0.00 16 E H H 103.86 1.86 15.23 16.89 91.70 50.26 -63.91 -41.17 0.50 0.00 99.50 0.09 0.04 0.27 99.51 0.08 0.00 0.00 0.00 17 Q H H 103.33 1.62 15.08 16.24 91.76 50.34 -64.69 -40.93 0.71 0.00 99.29 0.12 0.05 0.42 99.27 0.13 0.00 0.00 0.00 18 L H H 94.80 1.92 14.36 16.33 91.87 50.30 -64.66 -40.60 0.90 0.00 99.10 0.17 0.07 0.53 99.01 0.22 0.00 0.00 0.00 19 K H H 125.45 1.78 14.49 16.31 91.74 50.58 -64.16 -40.38 1.40 0.00 98.59 0.26 0.12 0.86 98.35 0.41 0.00 0.00 0.00 20 M H H 109.70 1.52 14.92 15.87 92.11 49.58 -65.20 -40.59 2.79 0.01 97.20 0.46 0.25 1.84 96.62 0.81 0.00 0.00 0.00 21 E H H 114.15 1.61 14.65 15.86 92.26 50.17 -65.91 -39.04 6.41 0.02 93.57 1.00 0.63 4.41 92.68 1.26 0.01 0.01 0.01 22 A H H 56.17 2.92 12.86 16.96 92.89 52.44 -66.95 -36.20 21.50 0.09 78.41 3.21 2.32 15.57 76.90 1.89 0.02 0.03 0.06 23 N H H 95.13 2.29 14.24 16.81 94.67 54.77 -69.85 -30.96 42.62 0.20 57.18 9.65 3.94 28.41 55.28 2.50 0.01 0.07 0.13 24 I H H 99.19 2.13 13.85 16.21 94.32 60.04 -67.21 -40.44 24.69 0.23 75.08 10.19 5.30 9.73 72.41 2.14 0.01 0.09 0.12 25 D H H 89.22 2.11 14.09 16.42 94.05 51.10 -67.43 -39.88 16.50 0.15 83.34 8.42 2.42 5.78 81.52 1.71 0.00 0.07 0.07 26 R H H 143.46 1.98 13.94 16.20 93.40 51.40 -65.81 -39.68 8.05 0.07 91.88 3.38 1.22 3.55 90.27 1.51 0.01 0.03 0.03 27 I H H 98.80 1.78 14.72 16.26 92.32 50.52 -65.43 -41.34 4.17 0.05 95.78 1.83 0.63 1.75 94.92 0.83 0.00 0.02 0.02 28 K H H 118.31 1.96 15.32 17.20 92.17 50.17 -65.05 -40.66 2.98 0.04 96.98 1.41 0.40 1.23 96.35 0.57 0.00 0.02 0.01 29 V H H 80.66 2.61 14.73 17.88 92.17 49.75 -64.53 -41.80 1.57 0.01 98.42 0.60 0.20 0.71 98.16 0.32 0.00 0.00 0.00 30 S H H 61.33 2.13 15.85 17.90 91.94 50.50 -64.36 -41.04 1.21 0.01 98.78 0.40 0.12 0.58 98.67 0.21 0.00 0.00 0.00 31 K H H 124.21 1.60 16.88 17.61 92.20 49.84 -65.32 -40.94 0.94 0.00 99.05 0.23 0.10 0.53 98.99 0.15 0.00 0.00 0.00 32 A H H 53.32 2.62 15.53 18.61 91.99 50.33 -64.15 -41.66 0.87 0.00 99.13 0.21 0.07 0.47 99.12 0.12 0.00 0.00 0.00 33 A H H 54.19 2.87 15.30 18.92 91.71 50.64 -63.50 -41.05 0.49 0.00 99.51 0.09 0.03 0.26 99.55 0.07 0.00 0.00 0.00 34 A H H 59.39 2.06 16.19 18.01 91.75 50.72 -63.88 -41.04 0.28 0.00 99.72 0.04 0.02 0.15 99.75 0.04 0.00 0.00 0.00 35 D H H 89.78 1.58 16.43 17.14 92.05 49.77 -64.90 -40.82 0.29 0.00 99.71 0.04 0.01 0.17 99.75 0.03 0.00 0.00 0.00 36 L H H 91.67 2.54 15.00 18.01 91.88 50.38 -64.51 -41.63 0.20 0.00 99.80 0.02 0.01 0.11 99.82 0.03 0.00 0.00 0.00 37 M H H 102.07 2.64 15.01 18.22 91.70 50.32 -64.18 -41.11 0.15 0.00 99.85 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 38 A H H 62.11 1.57 16.03 16.71 91.66 50.42 -63.82 -41.19 0.26 0.00 99.74 0.02 0.01 0.17 99.75 0.05 0.00 0.00 0.00 39 Y H H 129.38 1.73 15.58 16.82 92.04 49.53 -64.39 -41.33 0.46 0.00 99.54 0.04 0.02 0.33 99.51 0.10 0.00 0.00 0.00 40 C H H 57.80 4.54 12.46 18.75 92.26 50.16 -65.09 -40.85 0.65 0.00 99.35 0.06 0.03 0.45 99.28 0.18 0.00 0.00 0.00 41 E H H 120.09 2.01 14.63 16.91 91.82 51.06 -64.67 -39.55 1.41 0.00 98.59 0.09 0.06 1.09 98.25 0.50 0.00 0.00 0.00 42 A H H 70.78 1.27 15.32 15.41 92.31 50.86 -66.81 -36.56 7.09 0.00 92.91 0.14 0.22 6.86 91.83 0.94 0.00 0.00 0.00 43 H H H 106.09 3.24 13.06 17.36 97.33 40.74 -90.93 -11.64 22.67 0.02 77.31 0.80 0.98 21.05 75.18 1.96 0.01 0.00 0.02 44 A H G 43.01 8.52 9.01 19.21 92.55 81.18 -62.58 -34.93 17.66 0.09 82.25 2.12 1.40 12.92 25.82 57.65 0.00 0.05 0.04 45 K H G 156.69 1.25 13.33 14.66 91.75 57.97 -69.65 -24.48 25.61 0.06 74.33 1.00 1.25 22.88 11.78 63.01 0.00 0.03 0.04 46 E H G 151.42 0.87 13.41 13.22 96.63 46.48 -94.34 -5.27 27.73 0.11 72.16 1.72 2.77 22.03 6.52 66.85 0.00 0.05 0.06 47 D C C 57.21 7.78 7.20 16.72 111.86 95.30 -89.87 115.72 99.60 0.28 0.13 73.32 25.99 0.22 0.06 0.05 0.00 0.06 0.31 48 P C T 104.38 2.07 10.58 14.18 92.26 -152.70 -64.29 -24.01 81.99 0.14 17.87 1.98 4.18 74.20 1.13 18.36 0.00 0.07 0.09 49 L C T 123.16 1.99 10.22 13.30 93.30 64.71 -75.93 -14.09 81.94 0.34 17.73 1.73 4.66 74.59 1.39 17.25 0.00 0.18 0.19 50 L C T 104.83 4.15 9.27 14.95 98.13 61.82 -82.84 -12.38 70.87 4.42 24.71 20.22 22.60 28.22 2.52 21.58 0.04 1.90 2.92 51 T C S 88.68 3.13 10.12 14.95 116.25 69.73 -103.01 125.01 92.00 3.50 4.50 33.61 37.11 21.32 1.07 3.34 0.00 1.55 2.01 52 P C S 108.90 2.03 11.35 14.55 108.56 -121.38 -71.91 122.36 98.49 0.74 0.77 38.79 42.61 16.96 0.10 0.80 0.00 0.36 0.38 53 V C C 70.79 7.01 7.47 16.14 118.42 90.23 -100.09 134.91 98.29 1.49 0.22 56.14 41.81 0.50 0.09 0.10 0.00 0.48 0.87 54 P C C 83.10 1.88 13.10 15.19 112.95 -106.36 -65.44 144.89 98.11 1.45 0.44 96.58 1.30 0.38 0.13 0.18 0.00 0.50 0.92 55 A H G 77.41 5.20 8.14 15.22 92.98 -122.80 -61.42 -31.69 38.83 0.32 60.85 4.17 4.82 26.42 1.65 62.65 0.00 0.18 0.10 56 S H G 96.91 0.69 11.85 11.80 93.76 62.11 -74.02 -15.12 38.19 0.16 61.64 2.05 3.35 28.76 1.55 64.16 0.00 0.09 0.05 57 E H G 126.99 2.36 11.08 14.50 99.16 54.65 -89.82 -5.65 34.43 0.43 65.14 5.43 7.04 19.57 1.71 65.90 0.00 0.22 0.14 58 N C C 54.78 8.61 7.71 17.84 110.97 79.70 -104.77 109.57 98.81 0.56 0.62 68.17 29.76 0.74 0.32 0.25 0.00 0.13 0.62 59 P C T 90.85 3.21 11.33 16.29 92.97 -155.63 -65.75 -20.08 77.30 0.24 22.46 7.55 7.54 61.96 8.39 14.19 0.00 0.11 0.24 60 F C T 129.36 3.94 10.30 15.76 95.03 61.67 -82.25 -7.49 72.68 0.47 26.85 6.59 7.67 57.55 12.10 15.41 0.02 0.23 0.43 61 R C C 142.65 4.21 9.70 15.72 99.95 88.73 -74.42 -14.39 60.22 1.45 38.33 30.95 14.71 14.57 17.20 21.01 0.01 0.63 0.92 62 E C C 132.99 2.45 10.23 14.08 104.76 76.84 -81.54 41.74 63.40 1.38 35.21 43.68 8.62 10.51 18.52 17.24 0.00 0.66 0.76 63 K C C 133.58 3.69 8.74 14.32 108.85 96.99 -85.69 118.31 62.78 1.28 35.94 41.99 9.51 10.67 17.76 18.77 0.01 0.60 0.69 64 K C C 148.18 2.34 8.97 13.05 112.00 -156.64 -90.42 122.48 68.17 1.33 30.49 43.16 11.33 13.31 12.93 17.88 0.00 0.65 0.72 65 F C C 156.73 2.32 7.75 11.74 108.95 -136.60 -91.05 110.02 74.77 1.84 23.39 42.92 14.96 17.16 7.98 15.06 0.00 0.92 0.99 66 F C C 156.83 2.19 7.81 11.71 111.16 67.11 -96.85 112.83 87.58 1.81 10.61 72.36 3.19 13.06 4.21 5.11 0.00 0.98 1.10 67 C C C 86.41 4.86 9.62 16.10 108.70 -116.73 -90.09 103.75 99.95 0.04 0.01 99.87 0.07 0.04 0.00 0.00 0.00 0.02 0.00