# 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 C C C 47.99 14.49 13.47 27.61 113.99 -135.37 -95.85 132.94 99.59 0.33 0.08 99.35 0.21 0.17 0.02 0.02 0.00 0.18 0.05 1 S C C 71.36 4.96 13.96 20.17 111.42 -159.65 -91.11 140.17 87.88 6.36 5.77 65.67 5.96 16.42 1.39 3.96 0.00 4.95 1.66 2 T C C 96.03 3.66 12.97 17.97 109.77 -114.57 -93.14 106.15 81.22 11.16 7.61 40.34 21.21 20.69 1.81 5.48 0.01 7.77 2.69 3 L C C 75.10 11.92 9.04 21.02 115.22 -164.55 -96.55 127.32 76.29 13.68 10.02 51.56 17.11 7.54 2.98 7.37 0.01 10.12 3.31 4 E C C 129.75 3.74 14.38 19.49 109.67 -160.64 -90.86 107.27 77.28 11.96 10.76 48.72 18.70 10.33 2.95 7.63 0.01 9.88 1.79 5 R C C 130.55 7.11 14.93 23.03 116.16 -124.53 -100.66 130.33 71.55 16.86 11.59 43.88 18.53 10.17 3.08 8.11 0.02 14.08 2.13 6 V C C 58.79 13.46 13.53 27.24 116.83 -153.63 -101.69 129.04 68.80 25.59 5.61 56.94 7.94 3.25 2.30 3.33 0.00 22.21 4.03 7 V C C 59.92 10.98 16.70 28.52 117.67 -162.81 -104.05 128.91 67.68 29.89 2.43 54.55 9.57 2.59 1.17 1.48 0.01 25.24 5.39 8 Y C C 98.84 11.97 15.61 27.93 118.80 -155.43 -105.82 131.08 73.99 24.68 1.33 58.33 13.23 2.03 0.63 0.87 0.00 18.85 6.06 9 R C C 105.24 10.12 15.75 26.65 118.79 -160.90 -116.48 125.78 91.68 7.71 0.61 80.25 10.67 0.88 0.24 0.36 0.00 6.13 1.48 10 P C C 65.18 10.98 13.63 25.34 105.27 -124.12 -67.73 147.72 88.62 3.74 7.64 58.44 11.90 18.14 1.58 6.27 0.00 2.81 0.86 11 D C C 104.73 3.91 17.34 22.00 103.59 -89.99 -86.27 78.33 86.37 4.95 8.68 53.26 13.11 20.03 1.97 6.82 0.00 3.26 1.54 12 I C C 55.45 15.10 10.98 25.79 115.57 149.65 -99.88 126.79 81.62 8.40 9.98 59.84 13.24 8.53 3.41 6.53 0.01 5.27 3.16 13 N C C 104.27 5.21 17.00 23.39 105.18 -167.83 -100.01 43.82 84.90 7.89 7.22 55.82 16.34 13.12 2.34 4.69 0.01 5.27 2.41 14 Q C C 92.08 8.98 16.24 25.92 119.39 118.77 -111.49 136.66 82.43 10.28 7.29 42.98 22.31 18.22 2.04 4.96 0.02 6.42 3.05 15 G C C 29.47 10.30 17.03 27.75 122.56 -3.36 101.30 -169.68 85.43 9.86 4.70 41.09 26.32 18.83 0.85 3.90 0.00 7.31 1.70 16 N C C 76.96 11.92 19.39 30.89 108.75 -66.08 -96.50 74.04 75.33 19.28 5.39 41.67 22.61 12.21 1.05 4.47 0.01 15.49 2.48 17 Y C C 80.95 14.07 21.38 34.77 119.17 108.31 -103.22 138.10 59.36 37.04 3.60 41.73 13.10 3.90 1.63 2.36 0.03 27.98 9.28 18 L C C 11.75 24.05 15.32 39.38 113.94 -123.78 -86.76 131.62 68.51 30.28 1.21 61.64 5.37 0.79 0.79 0.52 0.00 22.30 8.60 19 T C C 49.50 7.33 24.24 31.70 129.37 -166.45 -110.55 162.94 94.75 4.31 0.94 91.99 2.97 0.36 0.78 0.16 0.00 2.77 0.97 20 A H H 49.35 13.65 14.76 28.54 91.36 -105.92 -58.70 -36.72 15.68 0.23 84.09 2.05 2.06 10.75 69.55 15.24 0.12 0.13 0.10 21 N H H 114.47 1.71 20.94 21.80 91.55 56.40 -66.01 -32.44 14.36 0.16 85.48 1.55 1.44 10.31 69.38 17.08 0.08 0.10 0.07 22 D H H 33.16 15.67 16.93 32.43 93.72 50.54 -73.97 -32.19 10.35 0.28 89.37 2.29 1.40 6.04 70.37 19.58 0.05 0.18 0.09 23 V H H 7.17 25.28 13.56 38.47 92.77 58.75 -65.94 -34.47 12.76 0.47 86.77 2.95 1.83 7.66 69.29 17.72 0.09 0.29 0.16 24 S H T 68.26 5.81 20.77 27.52 90.54 64.29 -67.91 -20.28 48.83 0.53 50.64 3.32 3.30 40.75 38.19 13.66 0.14 0.30 0.35 25 K C T 115.99 5.75 22.11 28.46 93.54 60.08 -87.91 -7.71 69.06 0.45 30.49 5.60 4.97 58.06 19.61 11.18 0.02 0.26 0.30 26 I C C 5.71 26.71 9.67 36.20 115.07 103.96 -78.93 133.10 96.34 2.87 0.79 80.21 15.12 0.57 0.56 0.24 0.00 1.00 2.30 27 R C C 130.69 4.09 23.92 28.63 127.50 -169.85 -123.77 147.07 90.17 9.60 0.23 89.98 0.77 0.15 0.12 0.05 0.00 2.77 6.15 28 V C T 87.32 11.43 15.82 27.57 111.00 -96.05 -62.68 134.87 97.25 2.43 0.32 1.45 3.10 93.43 0.06 0.15 0.00 1.40 0.42 29 G C T 47.13 3.74 20.23 24.70 95.73 25.58 89.24 -6.32 99.54 0.38 0.08 1.05 3.03 95.51 0.02 0.04 0.00 0.34 0.02 30 M C C 31.15 16.61 13.19 30.54 117.99 133.18 -72.88 145.53 98.83 1.15 0.02 86.39 12.56 0.07 0.01 0.01 0.00 0.59 0.37 31 T E B 56.06 5.24 23.70 28.88 121.59 -121.22 -80.17 161.01 30.51 69.36 0.14 26.15 0.28 0.01 0.12 0.00 0.00 4.12 69.31 32 Q H H 50.60 19.46 14.71 33.43 91.43 -110.30 -57.92 -39.44 0.87 0.00 99.13 0.17 0.09 0.49 99.04 0.20 0.00 0.00 0.00 33 Q H H 112.61 4.05 21.89 26.54 91.43 53.63 -63.19 -40.80 0.29 0.00 99.71 0.03 0.02 0.18 99.62 0.14 0.00 0.00 0.00 34 Q H H 74.84 7.48 22.52 30.31 92.01 48.40 -65.77 -41.22 0.13 0.00 99.87 0.02 0.01 0.08 99.73 0.16 0.00 0.00 0.00 35 V H H 1.70 26.44 16.18 43.43 91.34 49.60 -64.07 -43.75 0.11 0.00 99.89 0.01 0.01 0.07 99.86 0.04 0.00 0.00 0.00 36 A H H 20.35 17.68 19.05 36.27 91.39 51.72 -62.29 -41.09 0.12 0.00 99.87 0.01 0.01 0.08 99.85 0.04 0.00 0.00 0.00 37 Y H H 146.41 3.21 24.10 27.09 92.21 50.62 -65.57 -38.06 0.27 0.00 99.72 0.01 0.01 0.24 99.67 0.06 0.00 0.00 0.00 38 A H H 28.91 15.48 20.47 35.35 95.27 44.56 -74.43 -38.56 1.22 0.00 98.78 0.02 0.03 1.19 98.67 0.08 0.00 0.00 0.00 39 L H H 7.89 23.46 16.35 40.10 97.81 31.67 -95.47 -18.15 6.69 0.04 93.27 0.30 0.75 5.54 93.23 0.13 0.02 0.01 0.02 40 G C S 23.78 6.07 22.17 29.49 125.61 -127.30 89.35 -168.31 98.98 0.79 0.23 45.17 46.37 7.56 0.12 0.10 0.00 0.34 0.35 41 T C S 90.87 4.32 22.07 27.09 115.58 -26.08 -81.17 133.87 97.81 2.14 0.04 43.44 54.56 0.34 0.01 0.03 0.00 1.08 0.53 42 P C C 28.98 21.26 11.71 32.22 115.49 -114.67 -66.08 146.45 94.29 5.49 0.21 93.25 1.38 0.32 0.04 0.15 0.00 3.64 1.22 43 L C S 89.07 6.93 20.03 27.82 95.41 -141.29 -77.53 -28.77 91.32 8.59 0.09 15.63 73.44 2.23 0.01 0.11 0.00 8.08 0.50 44 M E E 76.59 8.35 20.24 29.44 138.30 7.71 -149.24 151.69 20.91 78.85 0.23 12.04 8.62 1.80 0.05 0.25 0.00 72.80 4.44 45 S E E 55.10 13.25 15.24 28.73 130.85 -164.52 -134.15 145.51 27.20 72.59 0.21 22.45 3.59 0.45 0.08 0.17 0.00 66.29 6.97 46 D C C 44.45 12.77 13.18 26.81 112.85 -133.59 -92.76 126.62 85.02 14.84 0.14 80.78 3.27 0.49 0.03 0.11 0.00 13.86 1.47 47 P C T 91.67 5.32 15.17 21.97 93.35 -145.68 -66.20 -18.50 97.15 1.11 1.74 4.99 20.85 70.91 0.07 2.09 0.00 0.87 0.22 48 F C T 116.75 6.97 13.92 21.88 97.19 55.40 -88.51 0.37 96.28 1.62 2.10 3.81 20.94 71.29 0.09 2.35 0.00 1.12 0.40 49 G C S 41.99 5.40 16.02 22.51 104.82 -93.12 90.57 7.21 85.18 12.45 2.37 31.91 42.68 10.66 0.29 2.57 0.00 8.67 3.22 50 T C S 58.82 9.03 15.76 25.71 115.29 107.01 -96.31 146.74 88.02 10.59 1.39 27.94 34.18 26.45 0.14 1.47 0.00 8.58 1.24 51 N C S 70.16 11.61 18.13 29.96 100.16 -122.14 -88.00 37.36 77.89 21.34 0.78 24.25 30.32 23.00 0.05 0.87 0.00 20.79 0.71 52 T E E 24.29 14.03 19.64 34.82 127.45 118.71 -116.14 144.64 22.23 77.71 0.06 18.21 3.69 0.26 0.01 0.05 0.00 77.14 0.63 53 W E E 18.48 20.45 19.95 40.49 123.26 -152.66 -110.61 138.86 1.83 98.17 0.00 1.69 0.07 0.00 0.00 0.00 0.00 98.12 0.11 54 F E E 29.11 15.86 24.17 40.24 122.93 -159.78 -115.31 136.89 0.53 99.47 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.50 0.01 55 Y E E 13.44 22.13 20.98 42.87 122.70 -163.31 -115.51 134.31 0.38 99.62 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.01 56 V E E 20.96 14.99 24.07 39.75 120.59 -158.02 -112.97 130.19 0.49 99.51 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.54 0.01 57 F E E 19.78 20.08 19.45 39.44 127.91 -172.09 -122.35 145.34 0.96 99.03 0.00 0.85 0.04 0.00 0.00 0.00 0.00 99.08 0.03 58 R E E 73.89 12.07 21.78 34.04 122.38 -160.59 -115.71 134.99 4.14 95.84 0.02 3.68 0.31 0.04 0.00 0.01 0.00 95.78 0.18 59 Q E E 54.44 14.14 15.99 30.46 121.17 -159.98 -108.67 136.57 27.74 72.14 0.12 22.41 4.79 0.52 0.02 0.09 0.00 71.34 0.82 60 Q C C 86.47 7.21 15.36 23.90 115.27 -146.36 -105.42 120.03 81.67 18.11 0.22 71.20 8.22 0.91 0.04 0.19 0.00 18.54 0.89 61 P C T 83.06 6.54 11.80 19.92 110.62 -112.71 -66.17 140.00 91.01 4.86 4.12 20.91 16.87 53.07 0.42 4.00 0.00 4.00 0.73 62 G C T 61.00 1.34 12.65 14.18 103.20 18.36 85.23 -5.56 92.65 2.20 5.15 15.34 21.63 55.38 0.54 4.99 0.00 1.51 0.62 63 H C S 119.78 4.84 8.67 15.18 114.08 91.38 -97.79 139.21 86.85 4.29 8.86 29.00 36.46 21.55 1.13 7.86 0.00 2.26 1.75 64 E C T 156.39 1.30 11.96 13.68 106.73 -115.99 -84.73 100.94 89.86 3.10 7.03 18.39 35.34 36.58 0.84 6.02 0.00 1.97 0.85 65 G C C 43.13 3.59 14.30 18.77 120.54 10.17 116.01 4.41 83.61 11.66 4.72 30.12 27.34 27.26 0.56 4.20 0.00 9.16 1.34 66 V C C 63.30 12.75 10.65 23.59 117.99 -96.77 -97.46 134.30 63.64 35.42 0.94 55.55 5.12 1.35 0.20 0.75 0.00 35.50 1.52 67 T E E 55.42 8.23 17.35 26.90 122.36 -165.32 -114.24 140.77 28.59 71.05 0.37 24.52 2.98 0.69 0.10 0.27 0.00 70.55 0.89 68 Q E E 86.21 12.44 16.52 29.12 124.38 -148.89 -114.07 138.81 11.55 88.22 0.23 9.02 1.80 0.47 0.05 0.14 0.00 88.32 0.20 69 Q E E 41.13 14.19 17.84 32.79 131.36 -176.03 -133.96 148.63 3.45 96.42 0.12 2.88 0.44 0.16 0.04 0.07 0.00 96.34 0.06 70 T E E 44.06 11.56 21.56 33.83 121.46 -139.80 -108.09 135.00 1.20 98.77 0.04 1.12 0.08 0.02 0.01 0.02 0.00 98.72 0.03 71 L E E 8.10 22.68 17.80 40.72 126.59 -170.73 -122.08 141.76 0.45 99.55 0.01 0.44 0.01 0.00 0.00 0.00 0.00 99.53 0.01 72 T E E 30.59 10.68 26.05 37.89 118.52 -149.74 -107.48 129.41 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 73 L E E 2.88 25.94 18.22 45.26 118.42 -162.04 -109.08 128.18 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 74 T E E 33.96 9.56 26.74 37.46 119.42 -162.03 -111.61 130.63 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 75 F E E 15.97 22.31 14.27 36.67 123.03 -161.60 -112.03 139.38 0.72 99.27 0.00 0.67 0.03 0.00 0.00 0.00 0.00 99.02 0.26 76 N C C 57.35 6.11 18.39 25.51 124.67 -132.10 -83.12 176.22 92.83 7.13 0.04 92.84 0.43 0.08 0.01 0.02 0.00 6.26 0.37 77 S C T 95.36 2.20 14.44 18.13 90.20 -89.70 -64.72 -20.89 98.05 0.50 1.46 0.45 3.46 94.29 0.04 1.37 0.00 0.33 0.07 78 S C T 83.16 1.62 17.76 18.59 91.95 57.38 -86.91 -0.87 98.49 0.08 1.43 0.24 2.84 95.49 0.03 1.33 0.00 0.04 0.02 79 G C S 14.23 16.09 14.07 30.53 96.53 -105.77 85.47 7.95 98.51 0.44 1.05 18.02 76.22 4.30 0.07 0.96 0.00 0.25 0.16 80 V C C 48.92 8.32 22.08 31.70 117.04 140.63 -85.95 136.78 62.91 36.95 0.15 60.23 3.41 0.13 0.09 0.06 0.00 15.30 20.78 81 L E E 14.53 23.25 13.59 37.35 108.98 -115.35 -73.12 125.70 0.82 99.18 0.00 0.79 0.03 0.00 0.00 0.00 0.00 98.40 0.78 82 T E E 64.05 7.05 22.44 30.03 101.79 174.25 -101.51 -28.53 1.47 98.53 0.00 0.96 0.28 0.02 0.00 0.00 0.00 98.73 0.01 83 N E E 69.45 6.59 24.23 31.56 138.43 2.02 -156.06 147.01 0.59 99.41 0.00 0.39 0.07 0.01 0.00 0.00 0.00 99.53 0.00 84 I E E 36.54 22.56 13.24 34.75 124.50 -168.13 -130.22 130.74 0.72 99.27 0.00 0.61 0.03 0.00 0.00 0.00 0.00 99.34 0.01 85 D E E 66.20 6.44 23.61 30.44 124.42 -172.56 -123.90 135.53 2.92 97.07 0.01 2.38 0.30 0.02 0.00 0.00 0.00 97.23 0.06 86 N E E 64.18 17.08 14.79 30.59 120.35 -168.36 -116.84 127.82 19.45 80.50 0.06 15.63 3.39 0.22 0.01 0.04 0.00 80.26 0.43 87 K C C 97.45 7.70 19.31 27.93 120.26 -172.90 -121.16 127.47 72.07 27.28 0.65 62.11 7.83 0.91 0.15 0.50 0.00 27.64 0.86 88 P C C 65.09 10.12 16.18 26.95 115.28 -111.66 -67.32 149.83 76.06 14.87 9.07 54.40 11.02 10.63 1.63 7.54 0.01 13.32 1.45 89 A C C 56.83 9.85 15.59 25.82 106.57 -111.81 -77.28 117.19 79.94 9.15 10.91 53.93 13.08 12.75 2.17 9.40 0.01 6.52 2.15 90 L C C 69.33 12.68 11.24 23.96 110.44 -136.55 -91.76 109.32 77.39 11.66 10.95 51.54 15.17 10.50 2.74 8.50 0.02 7.27 4.26 91 S C C 78.89 3.76 12.24 17.61 109.65 150.01 -92.99 102.86 88.67 6.25 5.08 50.77 18.64 19.54 1.23 3.84 0.00 3.99 1.98 92 G C C 51.95 3.76 11.12 16.61 111.32 -78.52 -51.06 138.63 95.56 2.31 2.13 70.11 7.81 17.77 0.47 1.55 0.00 1.43 0.86 93 N C C 122.10 2.70 12.75 16.84 106.48 -78.74 -86.35 87.53 99.89 0.10 0.02 99.64 0.20 0.09 0.01 0.00 0.00 0.05 0.01