# 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 K C C 147.95 2.74 13.02 17.06 113.99 -154.27 -93.80 126.54 99.92 0.07 0.01 99.79 0.14 0.02 0.00 0.00 0.00 0.03 0.01 1 Y C C 125.67 6.78 7.97 16.29 117.89 -135.65 -96.24 134.07 98.81 0.61 0.58 97.89 0.70 0.44 0.32 0.09 0.00 0.24 0.31 2 P C C 90.46 3.24 10.08 15.08 112.06 -108.84 -68.01 146.93 91.68 1.14 7.18 77.99 5.46 8.83 2.35 4.20 0.00 0.64 0.54 3 R C C 165.19 3.21 8.89 14.12 111.15 -131.49 -87.42 126.41 82.98 3.12 13.90 56.23 14.33 12.33 4.98 8.92 0.00 1.78 1.41 4 R C C 154.24 3.85 10.43 16.07 112.58 -150.62 -94.69 122.78 78.30 4.44 17.25 53.16 15.87 9.32 7.18 10.06 0.00 2.82 1.60 5 I C C 113.64 4.23 11.73 17.72 112.82 -153.93 -93.29 124.70 77.73 5.07 17.21 59.12 11.45 6.89 10.46 6.99 0.00 3.10 1.99 6 L C C 68.02 11.51 9.74 21.76 113.74 -135.61 -90.11 131.63 85.06 2.12 12.82 66.77 13.78 4.33 10.18 2.90 0.00 1.02 1.02 7 D C C 77.04 4.37 17.11 22.03 111.02 -141.12 -86.53 137.06 88.84 0.93 10.23 80.63 5.44 2.52 9.30 1.25 0.00 0.42 0.44 8 V H H 63.34 12.85 12.78 26.03 93.58 -116.31 -61.92 -35.81 11.28 0.26 88.46 3.79 2.22 5.82 80.02 7.85 0.05 0.15 0.11 9 Y H H 122.20 7.15 16.30 24.31 92.26 55.42 -66.32 -36.35 7.93 0.32 91.75 1.70 1.11 4.98 80.82 11.01 0.07 0.21 0.10 10 Q H H 87.98 6.15 18.08 25.05 93.28 52.81 -67.84 -34.85 6.54 0.77 92.69 1.87 0.95 3.69 79.53 13.17 0.07 0.56 0.15 11 I H H 32.93 16.93 15.08 32.17 93.94 52.68 -68.37 -37.89 10.48 1.58 87.94 2.70 1.74 6.37 77.92 9.49 0.25 1.20 0.33 12 L H H 46.42 15.82 16.73 32.40 94.68 55.34 -80.23 -15.51 26.85 8.91 64.24 6.94 4.68 16.68 56.44 6.21 0.73 5.96 2.37 13 Q C H 96.81 8.01 19.59 28.02 100.67 72.14 -86.07 4.83 49.35 19.43 31.22 20.85 10.97 18.95 26.68 4.07 0.61 13.77 4.11 14 S C S 43.69 12.40 16.80 29.50 123.10 107.83 -108.11 141.68 81.82 17.75 0.44 40.40 41.91 1.00 0.26 0.19 0.00 14.46 1.79 15 P C C 58.51 11.99 18.00 30.18 114.30 -105.04 -68.10 147.12 79.14 20.25 0.61 71.93 5.65 1.08 0.27 0.34 0.00 17.96 2.77 16 I C C 60.16 14.89 17.63 32.27 108.84 -123.84 -86.84 115.77 75.25 23.80 0.95 59.36 13.34 1.72 0.53 0.56 0.00 14.75 9.73 17 I C C 60.10 15.92 15.03 30.42 118.61 114.84 -107.33 128.77 84.88 14.32 0.80 69.74 14.17 1.05 0.51 0.38 0.00 9.14 5.01 18 T C C 51.96 7.10 16.83 25.18 130.04 -166.90 -113.49 168.83 93.81 4.93 1.26 80.14 13.30 0.66 1.13 0.28 0.00 2.66 1.83 19 E H H 141.32 2.42 15.85 19.24 91.36 -100.07 -59.15 -37.01 11.41 0.15 88.44 2.53 2.90 6.72 83.77 3.85 0.07 0.07 0.08 20 A H H 62.52 3.12 18.01 21.33 91.65 53.60 -65.04 -39.55 9.51 0.12 90.37 1.79 1.37 6.42 85.16 5.07 0.06 0.07 0.05 21 A H H 10.86 17.81 12.97 31.16 92.35 50.40 -65.91 -40.25 7.11 0.19 92.70 2.60 1.11 3.70 86.41 5.96 0.02 0.13 0.06 22 I H H 59.21 12.14 16.29 28.90 91.93 53.27 -63.76 -40.94 5.69 0.19 94.12 2.69 0.99 2.45 90.80 2.89 0.01 0.12 0.05 23 K H H 125.50 1.63 21.30 21.13 91.84 51.63 -64.75 -40.59 7.89 0.33 91.78 2.94 1.32 4.20 88.97 2.23 0.04 0.21 0.09 24 N H H 55.78 7.90 16.99 26.25 92.53 49.97 -66.43 -39.26 10.03 0.43 89.53 3.59 1.61 5.47 86.45 2.41 0.06 0.27 0.14 25 I H H 28.31 18.02 12.21 29.75 93.23 51.20 -66.09 -40.86 9.18 0.49 90.34 4.01 1.68 4.33 86.27 3.21 0.05 0.30 0.16 26 A H H 72.30 4.15 16.58 21.72 93.25 51.78 -66.87 -36.97 11.45 0.26 88.29 2.96 1.59 7.17 84.32 3.63 0.08 0.15 0.10 27 D H H 111.11 1.39 16.74 17.25 96.55 45.38 -81.95 -22.58 19.86 0.22 79.92 2.89 2.73 14.64 76.45 2.96 0.11 0.10 0.12 28 E C H 99.53 7.28 15.25 23.35 101.22 27.09 -98.60 4.76 50.37 0.36 49.27 7.35 10.94 31.42 47.55 2.30 0.05 0.12 0.26 29 N C T 86.41 8.47 17.97 27.35 97.12 -128.00 43.65 37.51 98.64 0.77 0.59 31.28 12.42 55.11 0.16 0.33 0.00 0.61 0.10 30 S E E 16.02 16.29 17.98 34.88 131.01 126.90 -121.85 154.05 49.89 50.02 0.09 42.52 5.78 0.33 0.02 0.07 0.00 50.64 0.63 31 L E E 14.99 19.63 22.48 42.02 119.05 -134.03 -105.22 132.62 6.38 93.61 0.01 6.11 0.23 0.01 0.00 0.00 0.00 93.43 0.21 32 L E E 24.09 18.37 24.82 42.68 119.77 -157.03 -110.62 129.31 1.93 98.07 0.00 1.83 0.04 0.00 0.00 0.00 0.00 98.09 0.03 33 F E E 8.89 23.41 22.47 45.40 127.04 -171.43 -122.80 139.74 0.49 99.51 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.01 34 T E E 30.66 14.45 26.73 41.38 116.21 -147.96 -103.84 125.95 0.33 99.67 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.01 35 V E E 5.71 24.12 18.02 42.30 129.69 -174.94 -126.63 146.70 1.92 98.08 0.00 1.92 0.04 0.00 0.00 0.00 0.00 97.94 0.09 36 D E E 44.49 9.81 23.62 34.12 111.33 -107.90 -71.56 134.79 26.60 73.36 0.03 26.41 0.51 0.05 0.00 0.02 0.00 72.54 0.46 37 V C T 53.57 16.43 16.02 32.38 91.82 -129.42 -64.71 -22.47 96.16 2.96 0.88 1.47 8.29 86.92 0.04 0.76 0.00 2.32 0.19 38 R C T 163.18 2.17 21.67 23.68 93.07 60.42 -87.91 -2.95 98.14 1.14 0.71 2.03 7.24 89.05 0.03 0.68 0.00 0.86 0.10 39 A C C 11.43 20.81 9.70 30.23 117.47 118.90 -69.68 144.11 98.02 1.62 0.36 59.43 38.48 0.38 0.13 0.18 0.00 0.82 0.58 40 D C C 78.88 3.05 23.56 25.26 120.62 -123.83 -84.30 160.64 97.06 2.77 0.18 97.09 0.48 0.03 0.13 0.01 0.00 0.59 1.67 41 K H H 93.52 14.93 13.81 28.23 91.49 -111.13 -58.53 -38.18 1.16 0.00 98.84 0.09 0.10 0.84 98.78 0.19 0.00 0.00 0.00 42 K H H 137.38 1.74 21.01 21.87 91.46 53.87 -64.06 -40.56 0.67 0.00 99.33 0.04 0.04 0.54 99.18 0.20 0.00 0.00 0.00 43 M H H 69.35 7.84 19.91 28.63 91.86 48.86 -65.31 -41.15 0.25 0.00 99.75 0.04 0.02 0.17 99.59 0.19 0.00 0.00 0.00 44 I H H 2.77 25.98 14.61 41.19 91.34 49.55 -63.69 -43.56 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 45 R H H 93.46 13.31 21.20 33.72 91.54 51.42 -61.92 -42.41 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 46 E H H 109.98 2.13 25.81 26.30 91.72 49.24 -64.46 -41.60 0.30 0.00 99.70 0.01 0.00 0.29 99.68 0.01 0.00 0.00 0.00 47 A H H 12.69 13.90 20.52 35.52 91.85 49.87 -64.22 -42.88 0.37 0.00 99.63 0.02 0.01 0.29 99.66 0.02 0.00 0.00 0.00 48 I H H 3.14 25.42 16.29 42.16 91.67 48.88 -64.73 -42.47 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 49 S H H 44.69 10.05 18.65 29.29 92.19 51.91 -63.69 -41.49 0.12 0.00 99.88 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 50 N H H 114.33 1.73 21.16 21.91 92.67 48.39 -67.43 -39.35 0.33 0.00 99.67 0.01 0.01 0.31 99.56 0.12 0.00 0.00 0.00 51 F H H 69.48 13.73 17.09 30.60 96.97 42.16 -77.69 -38.73 1.28 0.00 98.71 0.02 0.04 1.22 98.60 0.12 0.00 0.00 0.00 52 F H H 34.69 18.13 14.54 32.60 102.01 24.56 -108.16 -7.14 7.25 0.02 92.73 0.37 0.86 5.72 92.84 0.18 0.01 0.01 0.01 53 G C T 53.67 2.45 22.18 24.31 94.45 -121.30 66.52 31.25 99.67 0.14 0.19 33.62 21.35 44.72 0.08 0.09 0.00 0.09 0.04 54 V C C 18.48 20.15 11.40 31.44 126.35 132.26 -116.85 146.87 94.12 5.84 0.04 78.61 15.40 0.26 0.01 0.03 0.00 5.16 0.53 55 K C C 125.00 3.22 24.59 27.69 113.28 -132.61 -93.83 124.99 85.02 14.95 0.02 84.68 0.71 0.07 0.00 0.01 0.00 14.09 0.44 56 V E E 19.66 23.58 10.42 33.05 116.21 -155.58 -93.52 130.80 30.83 69.12 0.04 32.09 0.32 0.03 0.01 0.02 0.00 66.26 1.27 57 R E E 140.77 3.29 21.29 24.95 99.06 -174.45 -86.32 -34.35 28.31 71.65 0.04 15.55 12.76 0.42 0.00 0.04 0.00 71.01 0.20 58 K E E 100.43 4.53 23.18 28.37 138.21 -0.45 -151.26 150.49 7.67 92.30 0.03 5.56 1.73 0.18 0.00 0.03 0.00 92.41 0.08 59 V E E 29.87 22.85 12.03 33.70 125.63 -163.77 -129.47 132.66 5.83 94.16 0.01 5.43 0.23 0.01 0.00 0.01 0.00 94.25 0.07 60 N E E 67.29 6.00 23.87 30.16 129.36 -174.26 -127.54 148.98 4.00 95.99 0.01 3.42 0.25 0.02 0.00 0.00 0.00 96.28 0.03 61 T E E 46.55 17.49 14.31 31.15 123.29 -152.46 -116.42 135.29 1.78 98.22 0.00 1.63 0.07 0.00 0.00 0.00 0.00 98.27 0.02 62 L E E 60.74 8.64 18.21 28.23 124.57 -169.37 -122.14 138.16 0.63 99.37 0.00 0.56 0.03 0.00 0.00 0.00 0.00 99.38 0.02 63 I E E 90.09 7.63 14.10 23.41 114.85 -142.12 -100.90 123.57 1.52 98.48 0.00 1.47 0.05 0.00 0.00 0.00 0.00 98.16 0.32 64 R C C 78.74 8.79 9.78 20.32 122.08 -149.32 -86.63 161.78 96.07 3.91 0.01 96.39 0.26 0.03 0.00 0.01 0.00 3.14 0.18 65 P C T 123.69 1.01 10.68 12.24 91.09 -102.37 -60.18 -27.07 98.54 0.33 1.13 0.81 3.33 94.30 0.02 1.27 0.00 0.23 0.05 66 D C T 116.10 1.08 11.70 12.67 92.57 56.75 -85.81 -0.25 98.85 0.06 1.09 0.48 2.70 95.60 0.02 1.15 0.00 0.03 0.01 67 G C S 42.17 4.37 12.64 18.68 97.62 -101.78 88.61 6.11 98.65 0.40 0.96 15.27 81.11 2.42 0.06 0.80 0.00 0.21 0.14 68 T C C 45.76 8.15 13.48 23.77 118.63 135.81 -79.16 144.55 94.30 5.68 0.02 93.16 1.67 0.08 0.01 0.01 0.00 4.52 0.56 69 K E E 61.12 12.98 15.91 29.90 120.86 -136.49 -103.49 138.33 1.05 98.95 0.00 1.00 0.03 0.00 0.00 0.00 0.00 98.75 0.22 70 K E E 58.29 13.14 20.91 34.28 129.74 -173.48 -128.33 146.47 0.34 99.66 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 71 A E E 8.02 20.42 19.05 39.80 125.90 -156.07 -118.88 141.51 0.27 99.73 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 72 Y E E 43.10 13.74 24.37 38.63 121.94 -162.54 -117.23 133.12 0.25 99.75 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.01 73 I E E 7.68 23.01 19.96 43.23 121.33 -164.62 -116.47 130.75 0.62 99.38 0.00 0.56 0.01 0.00 0.00 0.00 0.00 99.42 0.01 74 M E E 55.42 10.93 26.47 37.97 118.33 -157.38 -106.88 128.52 2.78 97.22 0.00 2.62 0.07 0.00 0.00 0.00 0.00 97.22 0.08 75 L E E 10.85 23.33 14.04 37.46 119.12 -142.70 -88.69 140.57 17.54 82.45 0.01 16.98 0.46 0.01 0.00 0.00 0.00 81.39 1.15 76 N C C 54.96 8.10 19.17 28.34 116.39 -112.48 -73.15 152.59 93.05 6.90 0.05 91.49 1.62 0.15 0.01 0.03 0.00 6.29 0.42 77 K C T 141.32 5.23 14.80 21.79 91.42 -110.35 -61.57 -26.81 97.40 0.48 2.11 1.47 8.39 87.75 0.19 1.76 0.00 0.29 0.16 78 E C T 149.36 1.33 17.87 18.14 93.46 59.78 -82.96 -8.07 97.52 0.27 2.21 2.94 6.87 87.74 0.26 1.93 0.00 0.17 0.09 79 Y C C 44.92 18.42 9.67 27.29 118.13 98.94 -87.16 135.39 93.89 2.31 3.80 64.52 26.24 2.99 1.48 2.12 0.00 0.85 1.79 80 N C C 82.12 4.02 22.96 26.54 118.49 -156.49 -99.67 139.79 96.34 1.26 2.39 92.48 2.88 1.30 1.70 0.42 0.00 0.42 0.80 81 A H H 29.47 19.20 13.45 31.97 92.28 -128.14 -59.95 -37.16 8.65 0.13 91.22 2.70 1.65 4.59 86.83 4.07 0.03 0.07 0.05 82 S H H 60.90 4.80 19.50 24.99 91.98 56.02 -64.38 -39.79 5.48 0.10 94.42 1.15 0.70 3.50 90.63 3.90 0.03 0.07 0.03 83 E H H 90.77 4.13 20.41 24.67 92.05 48.81 -66.30 -39.98 3.42 0.13 96.45 1.17 0.49 1.79 92.43 3.97 0.01 0.11 0.02 84 L H H 11.56 19.25 14.33 34.04 92.08 50.28 -64.73 -42.88 3.09 0.22 96.69 1.21 0.56 1.55 94.02 2.43 0.02 0.17 0.04 85 A H H 23.30 13.55 14.95 29.43 91.87 51.70 -62.82 -41.42 4.63 0.36 95.01 1.69 0.64 2.47 92.31 2.48 0.03 0.31 0.07 86 K H H 143.06 1.55 18.60 19.42 92.74 50.00 -65.91 -38.23 8.75 0.36 90.89 1.66 0.92 6.16 86.76 4.03 0.07 0.31 0.09 87 K H H 111.06 6.26 16.25 23.55 92.63 51.82 -68.94 -33.81 15.75 0.33 83.93 1.62 1.41 12.79 80.45 3.26 0.13 0.22 0.12 88 I C H 43.81 15.89 12.06 27.72 97.38 44.75 -89.65 -7.68 51.89 0.55 47.56 2.07 3.81 44.95 45.33 3.15 0.13 0.30 0.27 89 G C T 51.49 3.28 16.70 20.68 98.10 -114.77 74.69 16.89 97.80 0.54 1.67 13.15 5.83 79.26 0.86 0.45 0.00 0.32 0.13 90 I C C 70.86 10.89 11.16 22.90 105.56 128.96 -92.59 55.75 96.30 3.04 0.67 93.97 1.33 1.38 0.32 0.17 0.00 1.72 1.10 91 F C C 108.64 9.55 14.67 24.78 112.78 129.64 -98.50 117.25 99.64 0.35 0.01 99.63 0.10 0.02 0.00 0.00 0.00 0.21 0.03