# 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 G C C 37.72 6.80 12.62 20.73 123.22 -150.70 103.70 -175.60 99.87 0.11 0.02 99.34 0.44 0.12 0.01 0.00 0.00 0.05 0.03 1 H C C 143.07 3.16 9.99 14.79 104.71 -73.78 -89.16 5.94 93.70 2.09 4.21 76.22 7.14 10.43 1.06 2.91 0.00 1.08 1.16 2 H C C 142.06 2.43 9.07 13.13 107.88 93.93 -89.99 92.68 92.66 2.03 5.30 49.03 28.07 15.36 0.74 4.86 0.00 1.07 0.86 3 K C C 157.21 1.89 10.95 13.94 105.04 -106.73 -85.27 37.81 90.49 3.12 6.40 57.87 21.55 10.56 0.94 6.11 0.00 1.85 1.12 4 M C C 92.70 9.10 8.08 17.99 115.49 95.10 -93.49 128.63 88.91 8.11 2.98 76.27 9.21 2.99 0.68 2.53 0.00 5.61 2.70 5 E C C 139.74 2.13 15.96 18.86 116.76 -150.96 -96.79 132.61 85.21 13.95 0.84 79.86 4.83 0.70 0.29 0.57 0.00 6.75 6.99 6 L C C 77.60 13.59 11.23 24.71 115.88 -120.73 -83.59 135.59 97.67 2.26 0.07 94.11 3.79 0.12 0.03 0.03 0.00 1.36 0.56 7 P C C 38.93 13.38 11.63 25.90 115.47 -106.93 -66.47 151.16 99.41 0.50 0.09 96.38 2.91 0.24 0.03 0.04 0.00 0.21 0.20 8 D C C 85.43 3.39 17.89 21.66 108.01 -111.42 -80.04 116.72 99.27 0.47 0.26 98.24 0.93 0.20 0.08 0.08 0.00 0.13 0.35 9 Y H G 93.05 14.22 8.99 23.17 92.76 -157.15 -66.65 -20.71 38.74 0.41 60.85 6.62 4.41 25.53 3.14 59.92 0.00 0.25 0.14 10 R H G 177.15 1.53 14.29 16.36 91.32 68.22 -69.75 -20.00 38.59 0.45 60.96 3.39 4.37 28.74 3.19 59.87 0.00 0.26 0.17 11 Q H G 112.95 3.27 13.95 18.17 96.00 57.57 -81.97 -20.86 34.56 1.39 64.05 7.06 7.55 19.98 2.83 61.37 0.01 0.88 0.32 12 W C C 76.76 14.27 9.81 23.89 121.02 55.01 -116.39 136.71 80.37 8.03 11.60 58.00 17.46 4.94 3.04 8.64 0.01 4.92 2.99 13 K C C 133.97 3.63 17.10 22.21 118.24 -165.31 -111.81 127.70 84.93 13.27 1.80 80.41 3.36 1.24 0.70 0.96 0.00 9.22 4.10 14 I C C 47.29 16.25 9.18 24.84 113.44 -161.34 -104.49 117.73 77.59 20.71 1.70 73.31 2.49 1.11 0.83 0.83 0.00 13.82 7.63 15 E C T 141.83 2.09 13.98 17.35 116.51 -161.01 -83.24 136.99 89.85 8.80 1.36 25.91 9.15 55.84 0.39 0.85 0.00 6.44 1.42 16 G C T 65.37 0.66 15.58 14.58 95.26 14.33 77.12 7.41 98.52 0.84 0.64 10.24 21.18 67.16 0.09 0.57 0.00 0.55 0.21 17 T C C 29.71 15.90 7.23 22.38 119.20 133.22 -93.10 141.15 97.74 1.31 0.94 69.61 26.72 1.23 0.47 0.41 0.00 0.44 1.13 18 P C T 87.97 3.85 17.72 22.14 93.88 -122.66 -64.90 -20.24 92.56 0.64 6.81 10.51 12.00 70.34 4.24 2.22 0.00 0.31 0.38 19 L C T 38.43 15.68 11.56 27.34 99.01 55.04 -97.86 19.19 91.37 0.33 8.30 22.65 6.19 62.98 5.74 2.08 0.00 0.15 0.20 20 E H H 89.63 7.45 14.77 23.96 93.07 119.05 -60.56 -40.46 7.21 0.06 92.73 4.57 1.08 1.74 91.76 0.81 0.00 0.02 0.02 21 T H H 86.06 1.86 19.96 20.62 91.70 51.92 -64.34 -39.71 2.36 0.03 97.61 1.07 0.28 0.93 97.17 0.52 0.00 0.02 0.01 22 I H H 30.23 12.83 16.40 30.42 92.17 49.12 -65.64 -41.62 1.11 0.03 98.87 0.47 0.13 0.48 98.37 0.52 0.00 0.02 0.00 23 Q H H 39.28 15.71 14.92 30.76 91.72 52.65 -62.45 -42.13 0.63 0.01 99.36 0.23 0.07 0.27 99.23 0.19 0.00 0.00 0.00 24 K H H 123.80 2.00 21.83 22.66 91.58 50.23 -63.85 -41.16 0.87 0.01 99.12 0.21 0.08 0.49 99.06 0.15 0.00 0.00 0.00 25 K H H 98.27 3.62 19.83 23.51 91.66 49.91 -65.10 -40.75 1.06 0.01 98.93 0.21 0.11 0.65 98.80 0.22 0.00 0.00 0.00 26 L H H 13.80 15.90 12.15 29.22 91.51 50.42 -64.36 -41.40 1.47 0.01 98.52 0.31 0.16 0.88 98.05 0.58 0.00 0.01 0.00 27 A H H 52.01 7.60 14.14 23.06 91.88 52.17 -63.64 -39.55 3.00 0.02 96.99 0.38 0.20 2.26 95.39 1.76 0.00 0.01 0.00 28 A H H 90.81 0.91 15.55 15.43 90.60 54.37 -66.10 -27.39 12.49 0.04 87.48 0.46 0.56 11.94 85.48 1.49 0.03 0.01 0.02 29 K C T 124.87 3.71 13.02 18.06 93.85 51.35 -90.57 2.49 80.37 0.06 19.57 0.51 2.02 77.48 18.72 1.16 0.01 0.02 0.07 30 G C T 57.55 1.47 16.44 17.38 96.62 -107.03 81.68 11.98 99.65 0.02 0.33 2.18 2.21 95.38 0.11 0.09 0.00 0.01 0.01 31 L C C 46.18 15.19 8.65 23.48 111.54 138.82 -90.15 121.13 98.79 0.41 0.79 95.50 2.10 1.35 0.25 0.35 0.00 0.16 0.29 32 R C C 166.55 2.85 17.75 21.25 101.51 174.70 -100.54 -6.63 98.72 0.59 0.69 82.26 14.08 2.25 0.25 0.40 0.00 0.21 0.56 33 D C C 46.75 11.04 12.88 25.37 108.95 104.64 -88.12 113.14 99.22 0.52 0.25 72.13 26.58 0.39 0.16 0.07 0.00 0.12 0.56 34 P H H 79.91 5.66 16.73 23.99 92.11 -157.66 -62.55 -30.80 28.21 0.14 71.65 2.55 3.34 20.83 51.90 21.09 0.12 0.06 0.10 35 W H H 122.19 6.65 18.51 25.85 92.19 56.99 -65.73 -38.18 19.72 0.07 80.20 0.91 1.35 15.85 55.59 26.13 0.08 0.03 0.05 36 G H H 9.01 16.63 15.14 32.26 92.54 50.20 -66.08 -38.06 11.59 0.08 88.32 1.15 1.06 7.85 58.88 30.96 0.03 0.05 0.03 37 R H H 84.24 13.04 17.94 30.87 91.97 52.93 -65.89 -36.19 12.11 0.14 87.75 1.84 1.40 7.51 58.94 30.12 0.05 0.07 0.06 38 N H H 74.93 7.43 21.23 28.99 94.30 50.58 -78.83 -24.57 38.72 0.39 60.88 3.71 4.12 28.44 37.78 25.35 0.12 0.19 0.29 39 E C T 55.08 11.47 18.89 31.19 98.79 52.38 -92.48 1.96 56.78 3.11 40.11 18.09 8.74 29.92 24.35 15.08 0.14 0.78 2.89 40 A H G 17.24 16.95 15.93 33.45 93.05 100.53 -59.60 -41.39 10.85 0.15 89.01 1.40 1.13 7.42 36.79 53.12 0.01 0.09 0.04 41 W H G 98.39 9.86 18.51 29.00 91.63 51.44 -66.24 -32.64 7.58 0.07 92.35 0.65 0.61 5.82 36.80 56.05 0.01 0.05 0.01 42 R H G 107.10 7.57 18.08 26.38 93.01 54.54 -70.39 -29.66 8.12 0.15 91.72 1.14 0.92 5.46 37.50 54.84 0.01 0.11 0.03 43 Y H H 80.72 12.31 14.42 27.14 96.05 55.10 -80.76 -21.11 33.46 2.76 63.78 10.36 8.29 15.66 32.93 29.65 0.41 1.42 1.27 44 M C S 90.28 8.43 13.58 22.99 101.85 56.77 -90.02 16.39 70.58 4.37 25.05 19.90 25.81 25.72 16.69 7.21 0.23 1.74 2.72 45 G C T 51.13 3.39 14.25 18.68 103.79 -84.26 70.65 3.87 84.47 0.90 14.62 15.72 21.93 47.26 5.91 8.10 0.01 0.42 0.66 46 G C T 48.92 4.11 13.62 18.85 102.50 -31.45 71.52 -24.24 81.38 1.15 17.46 19.01 21.92 41.09 5.91 10.73 0.02 0.51 0.81 47 F C C 118.02 6.88 11.99 19.93 98.92 57.16 -84.33 -8.74 74.60 3.38 22.02 32.32 19.23 24.25 8.91 11.74 0.05 1.49 2.01 48 A C C 50.64 9.83 10.53 21.14 106.70 74.59 -85.72 38.09 75.27 2.43 22.30 45.40 15.78 14.29 12.26 9.70 0.01 1.13 1.44 49 K C C 141.08 3.09 13.61 17.97 109.84 60.01 -89.46 115.85 75.23 1.69 23.08 36.19 22.23 17.50 15.27 7.06 0.02 0.71 1.03 50 S C C 80.41 3.54 12.87 17.79 107.13 48.53 -84.61 90.65 75.31 2.05 22.64 46.07 15.28 14.00 16.76 5.84 0.01 0.94 1.09 51 V C C 69.45 8.75 9.92 19.96 116.49 144.91 -99.72 136.04 69.21 3.95 26.84 53.75 8.79 5.80 24.70 3.24 0.01 1.97 1.75 52 S C C 58.07 4.28 12.97 18.60 116.88 -142.92 -88.94 160.50 51.58 5.46 42.96 39.68 7.63 5.44 39.37 3.02 0.04 2.53 2.31 53 F H H 134.21 4.03 12.03 17.58 93.85 -99.07 -63.52 -36.05 14.79 0.79 84.41 4.66 3.31 8.68 75.74 6.53 0.29 0.49 0.31 54 S H H 66.70 3.00 13.49 17.40 92.95 54.26 -66.33 -38.40 12.40 0.44 87.17 2.39 1.99 8.72 78.02 8.15 0.28 0.28 0.17 55 D H H 71.31 6.06 13.03 20.54 95.07 48.56 -71.94 -35.78 14.56 0.36 85.09 1.89 2.04 10.99 75.70 8.63 0.36 0.20 0.17 56 V H H 68.18 7.06 12.96 21.40 97.61 42.82 -78.03 -38.49 29.30 0.56 70.13 1.78 3.72 24.28 62.46 6.20 0.92 0.26 0.40 57 F C H 122.28 3.70 14.99 19.44 97.76 39.08 -81.12 -33.97 51.35 1.31 47.34 3.10 7.18 40.03 42.43 4.78 0.96 0.57 0.95 58 F C H 109.47 5.08 14.16 20.20 99.27 41.63 -89.39 -17.39 59.21 3.31 37.48 15.20 16.25 29.15 29.20 5.93 0.76 1.40 2.10 59 K C T 103.35 6.96 14.71 22.87 107.15 118.14 -67.57 122.45 71.58 1.11 27.31 6.28 6.69 56.76 23.64 5.15 0.16 0.54 0.78 60 G C T 31.92 9.01 15.75 25.51 97.71 20.43 75.79 -5.59 66.92 0.44 32.65 6.62 5.99 53.01 28.61 5.17 0.07 0.20 0.33 61 F H H 88.45 9.85 14.55 25.37 94.19 99.13 -64.98 -39.26 20.37 0.35 79.27 11.00 4.27 6.97 74.61 2.77 0.03 0.14 0.20 62 K H H 126.97 3.15 19.07 22.42 92.72 52.25 -65.13 -40.10 8.43 0.11 91.46 2.58 1.32 4.85 89.79 1.34 0.02 0.05 0.05 63 W H H 128.54 5.02 19.59 25.00 92.54 48.84 -66.53 -40.92 3.57 0.04 96.39 0.88 0.45 2.20 95.62 0.80 0.01 0.02 0.01 64 G H H 13.51 13.94 15.97 30.83 92.09 51.90 -64.09 -42.29 1.03 0.00 98.97 0.27 0.10 0.53 98.87 0.22 0.00 0.00 0.00 65 F H H 91.27 7.48 20.33 28.18 91.83 50.47 -64.11 -42.33 0.16 0.00 99.84 0.03 0.01 0.09 99.83 0.04 0.00 0.00 0.00 66 A H H 53.50 3.36 21.83 24.89 91.30 50.28 -63.72 -42.40 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 67 A H H 37.50 8.67 19.77 29.38 91.49 50.34 -64.23 -42.17 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 68 F H H 63.21 13.03 19.37 32.42 92.01 49.95 -64.14 -42.31 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 69 V H H 76.02 4.89 22.18 27.13 91.62 49.85 -64.23 -42.71 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 70 V H H 78.32 3.43 22.41 25.49 91.79 48.67 -64.65 -42.64 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 71 A H H 27.96 10.73 18.40 30.26 91.73 49.74 -64.24 -42.29 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 72 V H H 53.49 8.50 18.80 28.07 91.63 49.16 -63.96 -42.56 0.16 0.00 99.84 0.01 0.01 0.12 99.84 0.02 0.00 0.00 0.00 73 G H H 34.24 2.75 18.82 21.39 91.42 50.46 -63.22 -42.14 0.48 0.00 99.52 0.04 0.02 0.34 99.52 0.07 0.00 0.00 0.00 74 A H H 49.88 3.59 16.50 20.94 91.76 50.22 -64.36 -41.66 1.15 0.00 98.84 0.14 0.09 0.79 98.59 0.38 0.00 0.00 0.00 75 E H H 72.45 7.62 13.14 22.23 92.13 50.95 -65.44 -39.54 2.54 0.01 97.45 0.40 0.24 1.75 96.57 1.03 0.01 0.00 0.01 76 Y H H 134.02 3.28 13.03 17.46 92.73 50.92 -66.30 -37.87 6.25 0.02 93.72 0.70 0.43 4.82 92.12 1.90 0.00 0.01 0.01 77 Y H H 167.56 1.28 11.74 13.07 93.61 51.25 -70.21 -29.66 17.17 0.09 82.74 2.28 1.38 13.40 80.94 1.88 0.02 0.03 0.06 78 L H H 117.40 2.20 9.35 12.83 97.31 53.20 -82.80 -11.57 45.63 0.80 53.58 19.32 1.69 24.07 52.21 1.91 0.01 0.27 0.52 79 E C C 127.10 4.19 10.74 16.54 102.69 89.30 -78.77 20.06 99.84 0.10 0.07 99.63 0.15 0.10 0.05 0.00 0.00 0.04 0.02