# 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 122.76 4.77 12.79 19.02 115.67 -159.76 -94.62 135.30 99.90 0.09 0.01 99.84 0.08 0.02 0.00 0.00 0.00 0.04 0.01 1 T C C 90.36 5.02 9.43 16.26 115.74 -129.30 -84.32 139.39 91.67 4.76 3.57 87.62 1.44 3.12 1.25 1.70 0.00 2.50 2.37 2 A C C 78.62 4.18 9.48 15.33 108.80 -123.04 -81.68 113.17 83.14 8.15 8.71 56.30 14.29 11.86 2.08 6.97 0.01 4.42 4.07 3 A C C 81.14 3.47 10.55 15.64 111.57 -131.92 -89.35 124.47 82.20 7.43 10.38 41.38 20.78 20.77 1.73 8.46 0.01 4.18 2.68 4 G C C 47.90 4.81 11.56 17.81 110.78 18.43 89.66 27.57 85.40 6.77 7.84 45.15 22.60 18.15 1.44 6.39 0.01 3.89 2.37 5 I C C 97.67 6.34 10.50 18.35 116.09 61.79 -100.52 131.19 77.67 18.69 3.64 56.18 15.77 4.02 1.66 2.07 0.01 7.30 12.99 6 S C C 52.44 6.51 11.12 19.10 122.28 -143.69 -97.06 160.46 87.20 10.41 2.40 72.39 10.12 3.76 0.89 1.59 0.00 5.03 6.21 7 L C T 125.30 3.88 10.57 15.96 94.75 -102.32 -68.77 -20.33 91.32 1.82 6.86 9.46 20.18 61.24 0.92 6.18 0.00 1.05 0.96 8 T C T 110.04 1.44 11.06 12.87 101.03 52.10 -94.69 6.23 91.22 1.61 7.17 7.02 19.53 64.23 0.85 6.57 0.00 0.90 0.89 9 G C S 50.05 3.32 10.74 15.59 110.49 -92.87 90.35 9.80 90.28 3.04 6.68 21.25 49.72 18.86 0.82 6.05 0.00 1.46 1.84 10 G C C 45.05 3.47 11.88 16.80 122.66 99.45 101.41 -175.81 92.97 4.91 2.13 48.23 35.28 9.46 0.47 1.67 0.00 2.22 2.67 11 R C C 156.67 3.63 13.24 18.40 114.06 -46.39 -81.15 137.90 87.93 9.53 2.54 62.45 19.49 4.58 0.95 1.62 0.00 3.47 7.45 12 N C C 68.52 9.50 11.35 21.90 116.86 -122.80 -78.38 157.65 92.74 4.79 2.47 78.79 10.23 2.56 1.23 1.14 0.00 1.59 4.47 13 R C T 152.55 4.13 15.78 21.20 93.22 -110.52 -66.37 -24.74 94.77 0.35 4.88 2.08 8.55 84.45 2.25 2.21 0.00 0.17 0.28 14 C C T 35.06 13.86 12.43 26.95 95.96 54.02 -92.55 -2.74 92.86 0.11 7.03 3.03 4.58 85.49 4.78 1.97 0.00 0.05 0.10 15 F H H 74.30 9.87 13.95 25.37 92.66 96.45 -59.85 -41.80 3.24 0.01 96.75 1.35 0.55 1.21 96.33 0.55 0.00 0.00 0.00 16 S H H 66.90 2.26 19.02 20.62 91.82 52.24 -64.60 -38.86 0.55 0.00 99.45 0.08 0.04 0.33 99.31 0.24 0.00 0.00 0.00 17 E H H 69.47 8.73 17.22 26.86 92.21 50.68 -65.54 -40.72 0.17 0.00 99.83 0.02 0.01 0.11 99.70 0.17 0.00 0.00 0.00 18 W H H 60.56 14.25 15.47 30.06 92.33 51.37 -64.62 -41.66 0.08 0.00 99.92 0.01 0.00 0.05 99.89 0.05 0.00 0.00 0.00 19 Q H H 87.29 4.35 19.60 24.42 91.87 50.77 -63.81 -40.88 0.09 0.00 99.91 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 20 S H H 52.45 4.17 19.63 24.21 91.91 50.72 -64.68 -41.18 0.18 0.00 99.82 0.01 0.00 0.15 99.79 0.05 0.00 0.00 0.00 21 F H H 49.38 13.64 16.66 30.83 92.36 50.47 -65.38 -41.52 0.42 0.00 99.58 0.02 0.01 0.38 99.51 0.09 0.00 0.00 0.00 22 M H H 73.40 8.96 18.31 27.98 91.70 52.04 -63.55 -40.77 0.78 0.00 99.22 0.05 0.03 0.61 99.09 0.22 0.00 0.00 0.00 23 H H H 114.13 2.23 20.91 22.16 92.01 50.97 -64.48 -40.48 1.79 0.00 98.21 0.16 0.11 1.36 96.61 1.77 0.00 0.00 0.00 24 C H H 36.31 8.77 15.93 26.46 92.38 51.02 -64.77 -40.99 2.96 0.01 97.03 0.26 0.18 2.29 94.34 2.92 0.00 0.00 0.00 25 T H H 47.75 11.28 14.93 26.91 92.89 51.15 -67.47 -35.88 6.48 0.03 93.49 0.83 0.63 4.78 90.52 3.20 0.01 0.01 0.02 26 A H H 67.16 3.58 16.10 20.32 93.92 55.43 -70.32 -29.79 21.89 0.16 77.95 3.09 2.66 16.30 75.40 2.32 0.05 0.06 0.10 27 K C H 131.40 2.99 14.96 18.64 98.51 57.42 -83.76 -8.19 51.62 0.49 47.89 12.17 7.77 32.10 44.87 2.56 0.04 0.18 0.31 28 T C C 67.45 9.04 10.57 20.41 105.24 87.73 -86.42 37.27 75.97 0.96 23.08 41.25 16.31 17.95 20.16 3.34 0.01 0.34 0.65 29 D C C 94.80 4.27 12.60 18.13 102.26 85.93 -84.95 15.35 82.57 0.77 16.67 52.90 12.51 16.81 12.57 4.34 0.00 0.32 0.54 30 A C C 67.79 5.14 11.38 18.03 100.78 95.69 -76.10 -15.44 66.93 0.89 32.17 33.61 16.51 17.54 20.33 10.97 0.01 0.34 0.68 31 K C T 142.42 2.34 13.18 16.19 98.92 66.19 -76.65 -25.44 64.04 0.69 35.28 20.55 15.72 28.42 22.47 12.01 0.02 0.28 0.52 32 S C C 50.48 6.20 12.72 20.37 102.09 46.47 -84.41 -9.41 63.82 0.85 35.33 32.34 12.88 19.55 22.56 11.69 0.01 0.34 0.63 33 R H H 118.90 9.41 12.31 22.48 94.43 76.84 -64.30 -34.36 27.31 0.64 72.05 10.97 4.95 10.59 45.81 27.04 0.03 0.33 0.27 34 A H H 71.03 2.91 16.23 19.71 93.08 57.56 -66.67 -33.69 20.99 0.54 78.46 5.48 3.13 10.65 44.91 35.31 0.03 0.32 0.17 35 Q H H 102.29 4.14 17.02 21.85 93.52 52.38 -72.82 -26.66 23.60 0.69 75.71 5.41 3.73 12.73 42.71 34.71 0.06 0.39 0.26 36 C H H 28.22 14.79 11.90 27.00 97.78 50.71 -87.83 -14.30 41.46 1.33 57.22 13.17 9.27 19.87 31.82 24.26 0.14 0.59 0.87 37 L C H 67.84 8.94 15.42 25.57 102.53 94.34 -67.44 -41.58 52.28 0.77 46.95 28.18 16.00 9.07 35.82 10.18 0.02 0.27 0.47 38 P H H 74.71 4.42 17.30 22.27 95.96 49.59 -66.51 -35.87 37.75 0.49 61.76 14.23 5.66 17.13 42.55 19.90 0.03 0.25 0.26 39 N H H 76.32 8.09 16.68 25.40 95.54 50.07 -71.42 -29.25 30.28 0.55 69.18 9.95 4.40 14.72 47.88 22.46 0.04 0.30 0.24 40 F H H 77.41 11.75 14.83 26.85 95.43 56.50 -70.95 -32.71 23.46 0.53 76.00 11.01 4.16 8.53 60.37 15.38 0.03 0.29 0.23 41 E H H 103.68 4.19 18.70 23.26 93.38 59.26 -65.38 -38.86 11.79 0.16 88.05 5.54 2.00 4.63 84.16 3.51 0.01 0.09 0.07 42 D H H 56.78 7.84 17.35 26.32 92.72 52.21 -66.03 -39.61 5.60 0.07 94.32 1.99 0.81 2.89 91.57 2.64 0.02 0.04 0.02 43 Y H H 61.01 13.27 16.10 29.76 92.53 50.66 -65.28 -41.00 2.66 0.04 97.31 0.65 0.35 1.64 94.82 2.50 0.01 0.02 0.01 44 M H H 80.90 6.44 18.91 26.20 92.02 50.29 -64.66 -40.78 2.32 0.04 97.64 0.49 0.30 1.52 95.13 2.50 0.02 0.02 0.01 45 E H H 82.88 4.39 19.09 23.97 92.11 50.68 -64.85 -40.76 3.65 0.04 96.31 0.49 0.38 2.71 93.02 3.35 0.02 0.02 0.01 46 C H H 31.52 11.71 15.20 28.11 92.75 49.16 -66.98 -36.58 9.33 0.02 90.64 0.59 0.63 7.85 85.15 5.74 0.02 0.01 0.01 47 L H H 64.06 11.06 15.38 27.15 92.76 53.35 -75.21 -20.69 31.81 0.06 68.13 1.28 1.80 29.07 62.56 5.18 0.03 0.02 0.05 48 H C T 121.69 3.66 17.05 21.33 97.26 47.35 -95.47 -5.72 66.83 0.25 32.91 6.07 7.80 52.21 29.07 4.49 0.03 0.09 0.24 49 H C S 75.21 8.34 10.88 21.04 115.47 101.78 -81.28 137.83 95.83 1.47 2.70 43.08 51.57 0.85 2.61 0.27 0.00 0.22 1.40 50 T H H 100.79 2.02 15.15 17.68 92.23 -131.72 -60.77 -36.53 5.26 0.01 94.73 0.85 1.05 3.28 94.00 0.80 0.01 0.00 0.01 51 K H H 119.34 3.20 16.24 20.09 92.17 53.73 -65.75 -39.07 3.07 0.01 96.93 0.44 0.30 2.12 96.31 0.83 0.00 0.00 0.00 52 E H H 38.38 12.07 13.53 26.98 92.06 50.20 -64.98 -41.32 0.92 0.00 99.08 0.20 0.08 0.51 98.65 0.56 0.00 0.00 0.00 53 K H H 86.99 6.69 17.19 25.07 91.66 51.11 -63.53 -41.60 0.36 0.00 99.64 0.08 0.03 0.18 99.54 0.16 0.00 0.00 0.00 54 A H H 51.14 2.60 19.51 21.65 91.32 50.39 -63.42 -42.25 0.21 0.00 99.79 0.03 0.01 0.11 99.80 0.05 0.00 0.00 0.00 55 R H H 93.62 7.21 18.59 26.71 92.11 49.93 -64.98 -41.08 0.16 0.00 99.84 0.02 0.00 0.10 99.84 0.04 0.00 0.00 0.00 56 L H H 40.75 12.22 15.79 29.07 91.92 51.21 -63.83 -41.58 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 57 R H H 138.28 2.48 20.53 22.66 91.58 50.31 -63.76 -40.94 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 58 E H H 101.44 2.86 19.92 22.39 91.78 49.94 -64.71 -41.68 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 59 I H H 46.68 10.87 16.50 28.42 91.88 48.97 -64.80 -42.12 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 60 E H H 84.95 6.55 18.27 25.77 91.49 50.83 -63.34 -41.53 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 61 S H H 54.48 2.30 19.70 21.13 91.39 50.20 -63.84 -41.82 0.14 0.00 99.86 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 62 V H H 50.69 5.53 17.08 24.22 91.67 49.64 -64.31 -41.82 0.14 0.00 99.86 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 63 L H H 49.81 8.07 15.20 25.11 91.80 50.92 -63.66 -41.84 0.19 0.00 99.81 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 64 K H H 108.36 2.32 17.10 19.21 91.77 50.32 -64.18 -41.15 0.51 0.00 99.49 0.07 0.03 0.31 99.52 0.08 0.00 0.00 0.00 65 Q H H 88.95 2.57 14.57 17.75 91.86 50.48 -64.46 -40.89 1.57 0.01 98.42 0.30 0.13 0.96 98.39 0.22 0.00 0.00 0.00 66 K H H 109.14 4.73 12.37 18.56 92.05 50.75 -65.21 -39.34 3.80 0.02 96.18 0.68 0.30 2.50 95.95 0.56 0.00 0.00 0.00 67 K H H 140.04 2.45 11.99 15.64 91.59 51.46 -65.80 -32.72 9.20 0.04 90.76 0.99 0.70 6.99 90.60 0.68 0.01 0.01 0.01 68 E H H 137.38 1.35 11.68 13.11 94.32 51.13 -83.63 -6.78 48.36 0.10 51.55 2.34 3.15 40.34 53.01 1.04 0.02 0.03 0.07 69 G C T 62.32 1.04 11.80 13.05 97.20 -103.53 79.80 12.70 86.10 0.15 13.75 11.14 5.81 67.40 14.46 1.05 0.00 0.06 0.09 70 L C C 88.55 5.09 7.93 15.16 116.49 145.80 -86.14 143.21 94.56 0.82 4.62 72.06 15.82 6.52 3.09 1.52 0.00 0.30 0.69 71 E C C 158.73 0.99 13.12 13.99 111.71 -111.78 -78.18 134.01 96.52 0.78 2.69 80.78 10.64 5.12 1.39 1.15 0.00 0.34 0.57 72 A C C 60.79 8.20 7.99 17.43 119.26 -139.61 -96.90 140.99 98.49 0.57 0.94 75.39 21.68 1.46 0.51 0.35 0.00 0.22 0.40 73 P C C 78.53 4.52 11.04 17.34 115.07 -107.41 -70.03 149.55 98.41 0.27 1.33 83.21 12.19 3.11 0.65 0.55 0.00 0.12 0.17 74 P C C 103.44 2.92 12.10 16.27 109.01 -104.05 -67.56 137.14 95.60 0.46 3.94 85.51 5.33 5.21 1.98 1.48 0.00 0.22 0.27 75 V C C 87.66 7.44 9.88 18.39 111.62 -138.06 -90.42 131.83 91.48 0.74 7.78 84.29 3.82 4.10 5.34 1.74 0.00 0.37 0.34 76 K C C 136.36 3.32 13.54 17.93 106.93 -136.18 -87.91 104.35 86.95 1.41 11.64 79.16 3.69 4.26 9.71 1.84 0.00 0.78 0.54 77 V C C 75.50 9.64 10.71 20.89 106.26 -148.65 -86.58 46.60 68.79 2.20 29.00 58.52 5.13 4.40 27.06 2.92 0.00 1.19 0.77 78 I C H 92.81 5.21 13.57 19.92 108.66 73.62 -79.61 127.57 51.75 2.23 46.02 40.05 6.12 5.16 42.69 4.00 0.00 1.40 0.58 79 P H H 73.61 5.31 14.85 21.17 103.36 48.58 -73.17 -21.29 43.84 3.69 52.47 33.16 5.19 5.91 46.71 5.50 0.01 2.82 0.70 80 V H H 57.60 11.15 11.32 23.01 97.43 68.27 -70.64 -35.57 28.42 8.70 62.88 19.95 4.45 5.63 52.61 8.67 0.05 7.36 1.28 81 K H H 117.40 5.01 14.11 20.42 93.93 59.80 -68.08 -36.72 24.21 9.14 66.65 14.55 4.18 6.76 49.65 15.46 0.10 8.03 1.26 82 A H H 69.49 3.84 13.82 18.75 94.00 55.10 -70.56 -28.38 30.45 8.11 61.44 12.18 5.68 13.23 41.19 19.38 0.36 6.52 1.46 83 I C T 86.63 7.13 12.18 20.51 97.60 52.71 -85.11 -3.32 54.21 2.83 42.96 7.26 8.38 36.59 25.34 18.82 0.53 1.65 1.44 84 G C T 42.88 5.61 14.12 20.95 97.69 -99.21 79.09 4.63 80.34 2.28 17.38 12.76 12.31 55.11 11.21 6.27 0.04 1.38 0.92 85 L C C 81.26 6.84 12.17 20.47 97.84 111.35 -79.49 -23.39 67.06 11.77 21.17 27.00 17.53 23.99 10.99 9.22 0.28 7.07 3.92 86 V C C 74.33 8.35 9.24 18.60 108.72 56.47 -92.70 81.15 62.53 17.98 19.49 24.28 16.83 23.32 10.14 8.21 0.62 10.52 6.09 87 E C C 136.27 2.62 10.40 14.62 109.23 -143.33 -85.43 121.84 83.30 6.21 10.50 63.60 4.27 15.89 5.37 4.28 0.00 4.67 1.92 88 E C C 138.92 3.31 11.79 16.88 109.06 -120.56 -81.64 121.27 99.80 0.13 0.07 99.55 0.18 0.13 0.03 0.01 0.00 0.07 0.02