# 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 116.95 5.23 11.20 18.01 114.52 -158.96 -96.03 133.69 99.92 0.06 0.02 99.86 0.07 0.03 0.01 0.00 0.00 0.02 0.01 1 S C C 76.08 3.57 9.37 14.71 115.48 -145.32 -91.70 142.58 89.92 1.65 8.43 85.51 1.04 4.75 5.07 1.98 0.00 0.94 0.70 2 S C C 83.00 3.24 8.88 13.66 107.09 -124.76 -84.65 95.01 80.46 2.96 16.58 53.81 14.66 11.92 9.64 7.01 0.00 1.75 1.19 3 K C C 138.41 3.40 9.42 14.49 110.20 71.74 -88.94 120.26 75.55 3.74 20.71 49.97 14.45 10.94 12.60 8.36 0.01 2.29 1.38 4 K C C 138.85 3.19 10.65 15.37 111.39 -145.04 -90.18 124.23 72.14 5.08 22.78 49.38 12.60 9.73 15.45 7.89 0.01 3.15 1.81 5 W C C 135.45 8.20 8.57 17.65 110.99 70.20 -94.35 115.26 71.27 5.45 23.28 49.18 12.03 9.53 17.62 6.38 0.02 3.34 1.90 6 T C C 83.34 4.51 10.61 16.73 114.94 -163.87 -98.27 134.54 73.36 4.65 21.99 52.80 10.66 9.06 17.86 5.14 0.01 3.01 1.46 7 K C C 146.57 3.13 10.19 14.95 105.18 -137.34 -83.27 44.45 65.24 2.75 32.01 33.52 17.35 14.71 25.63 6.27 0.03 1.52 0.97 8 K C C 144.16 2.67 11.19 15.19 109.12 75.58 -88.08 103.97 63.91 2.44 33.65 32.14 17.02 14.95 27.04 6.62 0.03 1.38 0.82 9 A C C 68.28 5.35 10.59 17.53 111.38 -112.68 -83.56 124.43 61.28 4.90 33.82 41.27 11.17 8.68 27.78 6.55 0.02 3.29 1.24 10 V C C 77.81 8.15 9.71 19.14 113.89 -154.93 -95.48 128.73 56.65 8.46 34.90 42.28 8.10 6.11 29.55 5.90 0.03 6.21 1.83 11 K C C 122.90 5.58 12.07 19.20 111.75 -152.13 -92.01 125.77 55.12 8.47 36.41 40.00 8.04 6.82 29.86 7.04 0.03 6.62 1.60 12 E C C 112.32 6.61 12.49 20.52 113.39 -147.67 -90.03 129.97 58.20 7.85 33.95 41.41 8.27 7.97 26.29 8.33 0.03 6.34 1.36 13 K C C 122.50 6.23 14.01 21.60 111.90 -143.01 -91.09 120.04 61.34 9.13 29.53 43.53 7.95 9.16 22.25 8.10 0.03 6.95 2.04 14 V C C 59.12 12.92 11.48 24.63 113.61 -151.07 -96.45 123.62 70.47 7.73 21.80 47.68 9.83 12.21 16.65 6.03 0.02 5.32 2.26 15 D C C 93.25 5.74 16.96 23.72 105.33 -151.67 -96.33 64.70 82.26 4.30 13.44 45.95 19.58 16.95 8.73 4.76 0.01 2.71 1.31 16 Y C C 84.32 12.82 14.32 27.49 112.60 124.21 -108.84 109.12 91.13 4.32 4.55 58.78 28.93 3.86 2.85 1.74 0.00 2.52 1.32 17 P C C 64.53 10.80 17.12 28.43 103.79 -157.61 -71.83 44.78 71.94 8.09 19.97 50.94 10.41 10.77 7.60 12.28 0.01 6.27 1.73 18 T C C 55.77 12.70 17.94 30.46 109.62 157.76 -91.83 108.04 51.39 23.11 25.50 31.06 10.73 11.60 9.07 15.30 0.16 18.41 3.67 19 L C C 52.97 14.74 18.59 32.75 102.27 132.11 -87.35 -7.83 45.38 27.46 27.16 27.95 10.26 10.10 9.39 16.31 0.17 22.38 3.44 20 F C C 39.21 18.53 13.64 31.43 115.21 79.22 -100.71 121.14 63.29 22.24 14.47 48.33 8.28 6.49 6.55 7.98 0.03 18.40 3.95 21 A C C 68.01 6.58 17.32 24.83 97.97 -171.03 -85.12 -24.70 88.37 5.71 5.92 56.95 25.64 6.15 3.49 2.42 0.00 3.90 1.45 22 D C C 77.24 4.38 16.99 22.21 121.28 47.61 -114.21 136.41 94.23 1.63 4.13 59.10 32.54 2.55 3.67 0.72 0.00 0.68 0.73 23 E H H 121.48 6.50 13.29 21.66 93.06 -137.07 -61.67 -36.32 4.60 0.03 95.38 1.19 1.18 2.23 94.70 0.68 0.00 0.01 0.01 24 A H H 71.41 1.55 18.57 18.75 92.07 53.22 -64.16 -40.69 2.95 0.02 97.03 0.57 0.36 1.93 96.24 0.88 0.01 0.01 0.01 25 A H H 22.36 11.28 15.74 28.65 92.06 49.09 -66.06 -39.91 1.53 0.02 98.45 0.51 0.19 0.81 97.64 0.84 0.00 0.01 0.00 26 M H H 19.57 20.02 14.28 34.12 91.50 52.47 -62.46 -42.93 0.59 0.01 99.41 0.19 0.07 0.26 99.25 0.22 0.00 0.00 0.00 27 N H H 81.78 4.68 22.60 27.43 91.40 51.06 -63.80 -40.84 0.54 0.00 99.46 0.14 0.04 0.26 99.44 0.11 0.00 0.00 0.00 28 E H H 94.91 3.69 23.93 27.10 91.53 50.06 -64.44 -41.20 0.55 0.00 99.44 0.10 0.04 0.31 99.42 0.12 0.00 0.00 0.00 29 A H H 4.02 22.32 17.47 40.11 91.78 50.58 -63.61 -42.85 0.61 0.00 99.38 0.08 0.04 0.38 99.30 0.19 0.00 0.00 0.00 30 L H H 32.13 17.88 19.50 36.79 91.59 51.50 -63.49 -39.86 1.12 0.00 98.88 0.12 0.07 0.80 98.33 0.67 0.00 0.00 0.00 31 K H H 126.09 2.18 24.37 25.51 91.70 51.97 -64.73 -40.34 4.87 0.01 95.12 0.21 0.20 4.64 92.92 2.01 0.01 0.00 0.00 32 F H H 67.16 9.84 20.59 31.09 92.30 48.49 -67.15 -39.21 8.67 0.02 91.32 0.33 0.43 8.12 88.56 2.52 0.02 0.01 0.01 33 I H H 4.90 25.20 13.24 38.51 93.33 51.08 -69.55 -32.33 12.74 0.13 87.12 2.63 1.50 7.88 67.95 19.87 0.03 0.07 0.06 34 K H H 106.74 10.34 17.75 28.49 91.17 64.61 -64.96 -27.13 37.10 0.13 62.77 1.76 1.57 32.78 43.24 20.44 0.04 0.07 0.10 35 N C T 123.15 1.45 20.20 20.59 95.64 47.48 -92.87 -2.99 55.57 0.16 44.27 1.81 3.35 49.98 23.23 21.34 0.03 0.08 0.17 36 S C C 26.65 17.64 10.67 27.56 120.38 94.48 -89.63 147.48 93.63 2.09 4.27 70.68 19.16 3.79 2.08 2.01 0.00 0.83 1.46 37 K C S 138.11 4.13 20.74 25.97 95.22 -151.93 -80.25 -22.90 95.54 3.24 1.22 10.71 76.48 8.81 0.23 0.85 0.01 2.21 0.69 38 C E E 35.70 14.28 20.48 34.71 125.11 28.62 -128.36 131.99 42.64 55.65 1.71 15.47 22.63 7.32 0.50 1.14 0.08 49.02 3.83 39 I E E 9.82 24.05 18.58 42.65 113.28 -161.09 -112.60 114.51 26.99 72.35 0.66 21.67 4.99 0.35 0.52 0.29 0.01 52.56 19.61 40 T C C 32.22 10.83 26.59 38.16 130.37 146.07 -114.24 162.41 85.00 14.73 0.27 83.24 2.65 0.11 0.24 0.06 0.00 12.55 1.15 41 H H H 31.45 21.49 17.87 38.95 91.49 -110.10 -59.18 -37.71 3.30 0.01 96.69 0.18 0.34 2.75 95.99 0.73 0.01 0.00 0.00 42 T H H 67.17 6.53 23.55 30.50 91.86 54.87 -63.85 -41.12 2.20 0.01 97.79 0.13 0.16 1.87 97.07 0.75 0.01 0.00 0.00 43 Q H H 44.05 9.90 22.26 33.11 92.12 48.57 -65.36 -41.95 1.23 0.04 98.73 0.16 0.12 0.91 97.72 1.04 0.01 0.03 0.01 44 I H H 3.27 24.51 16.60 41.57 91.98 48.89 -64.36 -43.30 1.14 0.06 98.80 0.18 0.15 0.78 98.45 0.39 0.01 0.03 0.01 45 C H H 17.38 14.98 16.40 32.37 91.64 50.42 -63.13 -42.80 1.69 0.07 98.24 0.29 0.25 1.11 97.92 0.38 0.02 0.03 0.02 46 E H H 130.10 1.85 20.92 21.90 92.17 47.93 -65.17 -41.36 1.79 0.02 98.19 0.15 0.13 1.42 97.71 0.57 0.01 0.01 0.00 47 R H H 113.91 8.19 18.11 26.94 93.16 45.87 -69.22 -38.32 4.10 0.01 95.89 0.13 0.25 3.70 95.35 0.54 0.01 0.00 0.01 48 L H H 29.58 17.18 13.73 31.19 96.29 34.92 -96.72 -2.22 18.64 0.05 81.31 0.84 2.11 15.40 80.81 0.76 0.03 0.01 0.04 49 R C T 184.67 1.49 20.52 21.36 93.19 -125.97 57.09 41.50 99.61 0.06 0.33 15.75 5.66 78.29 0.18 0.07 0.00 0.03 0.02 50 V C C 24.94 18.17 11.20 29.29 130.92 134.85 -123.79 155.91 97.59 2.32 0.09 75.77 21.51 0.19 0.06 0.03 0.00 0.70 1.74 51 S C C 61.82 3.36 22.70 25.26 115.44 -98.32 -69.68 148.50 99.44 0.48 0.08 99.29 0.27 0.04 0.05 0.01 0.00 0.11 0.23 52 V H H 58.82 15.88 13.68 29.21 92.41 -122.46 -59.79 -37.50 2.88 0.00 97.11 0.33 0.33 1.96 96.18 1.20 0.00 0.00 0.00 53 A H H 64.30 2.77 23.33 25.30 91.57 56.19 -63.19 -41.02 1.67 0.00 98.33 0.12 0.10 1.28 96.69 1.80 0.00 0.00 0.00 54 L H H 41.02 10.33 21.21 32.50 91.97 49.23 -65.64 -41.16 0.50 0.00 99.50 0.08 0.03 0.32 97.91 1.67 0.00 0.00 0.00 55 A H H 1.64 25.97 15.37 42.10 91.04 51.93 -62.70 -43.36 0.30 0.00 99.70 0.05 0.01 0.17 99.40 0.37 0.00 0.00 0.00 56 K H H 84.40 11.94 23.55 34.90 91.36 51.70 -62.66 -41.90 0.43 0.00 99.57 0.02 0.01 0.35 99.42 0.20 0.00 0.00 0.00 57 R H H 121.22 3.05 27.02 29.46 91.45 50.17 -64.06 -42.33 0.11 0.00 99.89 0.00 0.00 0.07 99.87 0.05 0.00 0.00 0.00 58 V H H 9.03 19.46 21.87 41.38 91.77 49.19 -64.15 -43.46 0.06 0.00 99.94 0.00 0.00 0.03 99.94 0.01 0.00 0.00 0.00 59 M H H 2.98 26.38 19.30 45.89 91.31 50.23 -63.48 -42.63 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 60 R H H 119.72 5.74 24.87 31.08 91.42 51.03 -62.97 -42.05 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 61 Q H H 71.45 5.69 23.67 29.71 91.64 49.88 -64.65 -41.72 0.08 0.00 99.92 0.00 0.00 0.04 99.93 0.01 0.00 0.00 0.00 62 L H H 5.11 22.74 15.78 38.98 91.86 49.75 -64.23 -42.54 0.16 0.00 99.84 0.01 0.01 0.09 99.84 0.05 0.00 0.00 0.00 63 V H H 46.91 15.11 16.63 31.38 92.05 50.35 -63.65 -41.79 0.35 0.00 99.65 0.03 0.01 0.25 99.53 0.18 0.00 0.00 0.00 64 K H H 160.11 1.04 19.83 19.42 90.72 52.19 -64.59 -31.41 3.38 0.00 96.61 0.07 0.08 3.40 96.19 0.26 0.00 0.00 0.00 65 S C T 60.87 6.35 15.89 23.54 92.18 53.90 -83.14 -6.62 84.61 0.01 15.38 0.09 0.51 83.93 15.21 0.25 0.00 0.00 0.01 66 G C T 41.51 5.73 19.09 25.80 95.73 -110.89 83.29 11.12 99.88 0.00 0.12 0.15 0.91 98.88 0.04 0.01 0.00 0.00 0.00 67 D C S 24.47 16.94 17.10 34.63 94.75 118.00 -79.73 -24.89 99.66 0.33 0.01 6.98 92.16 0.60 0.00 0.00 0.00 0.22 0.03 68 F E E 4.45 25.40 14.15 40.65 135.08 26.06 -138.12 151.62 10.68 89.31 0.00 6.22 4.78 0.12 0.00 0.01 0.00 88.42 0.45 69 A E E 46.45 7.35 25.87 33.67 125.63 -154.57 -121.88 139.47 1.05 98.95 0.00 0.95 0.04 0.00 0.00 0.00 0.00 99.00 0.02 70 I E E 65.21 16.54 16.39 32.48 110.10 -116.94 -76.22 124.21 0.40 99.60 0.00 0.38 0.00 0.00 0.00 0.00 0.00 99.61 0.00 71 V E E 58.90 9.81 17.42 28.47 101.60 176.05 -96.02 -33.18 1.29 98.70 0.00 0.95 0.13 0.01 0.00 0.00 0.00 98.90 0.01 72 S E E 48.28 5.45 19.97 26.45 139.22 -4.54 -156.24 155.63 1.32 98.67 0.01 0.94 0.19 0.03 0.00 0.00 0.00 98.82 0.01 73 K E E 115.05 10.77 11.66 23.67 125.25 -161.55 -129.70 134.13 5.80 94.17 0.03 4.83 0.61 0.09 0.00 0.02 0.00 94.35 0.11 74 S C C 52.27 4.93 13.01 19.59 127.09 176.45 -123.57 167.42 57.33 42.58 0.09 52.19 2.79 0.30 0.01 0.07 0.00 44.15 0.48 75 S C S 99.58 0.92 13.06 13.67 95.36 -77.85 -59.79 -35.40 98.97 0.52 0.51 2.44 49.63 46.95 0.02 0.51 0.00 0.36 0.08 76 R C T 170.03 2.83 13.73 17.09 100.39 16.57 -103.04 -3.71 99.01 0.52 0.47 2.40 48.28 48.40 0.01 0.47 0.00 0.37 0.07 77 M E E 59.16 11.74 13.26 26.10 129.80 54.76 -129.49 142.65 32.56 67.35 0.10 25.09 6.25 0.60 0.01 0.09 0.00 67.58 0.38 78 T E E 30.42 13.25 18.07 32.63 120.56 -148.54 -111.40 131.99 3.60 96.39 0.00 3.54 0.07 0.00 0.00 0.00 0.00 96.34 0.05 79 I E E 19.28 15.45 21.58 38.18 120.20 -161.63 -113.43 129.76 0.29 99.71 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 80 F E E 13.87 21.17 20.10 41.34 124.86 -166.85 -115.63 139.52 0.19 99.81 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 81 K E E 56.82 12.49 24.22 36.67 130.64 -173.62 -128.48 148.08 1.43 98.57 0.00 1.35 0.05 0.00 0.00 0.00 0.00 98.56 0.04 82 N E E 35.44 16.67 17.34 33.97 112.22 -108.12 -73.85 135.80 16.77 83.15 0.09 15.42 1.17 0.13 0.03 0.05 0.00 82.61 0.60 83 M C C 67.77 11.14 17.10 29.08 100.16 -152.76 -84.11 -7.27 86.65 7.55 5.80 60.98 17.37 8.06 1.04 5.00 0.00 6.73 0.82 84 T C C 64.82 8.44 14.17 23.64 108.20 80.29 -87.35 78.82 84.32 2.54 13.14 35.65 27.19 21.70 1.98 11.12 0.00 1.41 0.94 85 K C C 138.44 4.28 12.50 18.24 101.86 -133.07 -82.43 7.71 84.39 1.66 13.95 37.38 24.00 22.65 1.88 12.47 0.00 0.85 0.78 86 K C C 133.43 3.89 10.32 16.04 108.52 98.24 -89.36 92.01 90.17 1.16 8.67 75.25 3.14 12.43 1.70 6.23 0.00 0.70 0.55 87 E C C 135.01 3.56 12.31 17.57 108.28 -113.75 -80.78 115.34 99.94 0.03 0.03 99.79 0.10 0.07 0.01 0.00 0.00 0.01 0.01