# 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 A C C 66.25 5.05 15.84 21.87 117.19 -145.09 -89.90 141.18 99.86 0.13 0.00 99.84 0.06 0.01 0.00 0.00 0.00 0.08 0.01 1 I C C 84.80 10.27 11.74 22.85 118.08 -143.65 -100.88 131.33 73.17 26.73 0.10 72.59 0.57 0.17 0.02 0.05 0.00 25.85 0.75 2 H E E 81.38 9.60 14.52 25.39 119.61 -162.60 -106.88 136.03 30.27 69.65 0.09 25.84 3.29 0.25 0.02 0.07 0.00 70.04 0.50 3 R E E 111.87 9.38 17.28 27.62 123.51 -155.21 -116.28 136.35 8.12 91.84 0.03 7.37 0.57 0.05 0.01 0.02 0.00 91.80 0.19 4 I E E 22.61 19.50 15.20 35.01 122.89 -166.47 -120.31 131.67 2.59 97.40 0.01 2.54 0.08 0.01 0.00 0.00 0.00 97.30 0.06 5 R E E 108.46 7.73 22.93 31.31 117.12 -152.77 -104.02 126.37 1.88 98.12 0.00 1.80 0.05 0.00 0.00 0.00 0.00 98.13 0.02 6 I E E 10.12 23.45 15.89 39.77 121.30 -168.13 -117.06 129.76 1.25 98.75 0.00 1.31 0.02 0.00 0.00 0.00 0.00 98.66 0.02 7 T E E 48.61 8.82 25.89 35.41 118.30 -160.34 -109.93 127.00 0.88 99.12 0.00 0.88 0.01 0.00 0.00 0.00 0.00 99.08 0.02 8 L E E 5.64 25.25 16.92 42.75 123.67 -168.86 -115.88 135.93 1.56 98.44 0.00 1.58 0.02 0.00 0.00 0.00 0.00 98.34 0.05 9 T E E 50.15 9.39 26.11 35.93 126.57 -168.72 -121.82 140.34 4.94 95.05 0.01 4.70 0.18 0.01 0.00 0.00 0.00 94.94 0.16 10 S E E 10.86 20.67 14.70 35.35 138.17 161.77 -147.84 159.41 26.59 73.36 0.04 25.81 0.95 0.07 0.01 0.03 0.00 71.75 1.38 11 R C S 147.17 4.98 20.65 26.46 94.62 -139.17 -84.13 -14.62 99.22 0.75 0.03 2.91 95.80 0.73 0.00 0.01 0.00 0.48 0.06 12 N C C 71.31 7.24 19.10 27.35 110.79 66.21 -107.47 106.51 98.86 0.97 0.17 62.36 36.02 0.63 0.09 0.06 0.00 0.36 0.47 13 V H H 57.40 14.88 13.99 29.12 93.65 -168.41 -63.49 -36.62 3.06 0.01 96.93 0.70 0.54 1.59 96.29 0.88 0.00 0.00 0.00 14 K H H 138.05 1.68 21.83 22.43 91.63 55.09 -63.67 -40.75 1.84 0.00 98.15 0.18 0.16 1.36 97.14 1.15 0.00 0.00 0.00 15 S H H 29.04 9.22 18.93 29.63 91.90 48.87 -65.41 -40.33 1.17 0.01 98.83 0.21 0.09 0.75 97.54 1.41 0.00 0.00 0.00 16 L H H 5.67 24.45 14.43 39.05 91.58 52.03 -63.49 -42.46 0.31 0.00 99.69 0.06 0.02 0.15 99.58 0.19 0.00 0.00 0.00 17 E H H 89.14 9.77 22.25 31.96 91.45 51.76 -63.21 -41.31 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 18 K H H 120.65 2.34 25.75 27.01 91.63 49.96 -64.35 -41.67 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 19 V H H 13.62 18.67 21.19 39.81 91.63 48.76 -64.08 -43.34 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 20 C H H 6.71 22.98 20.05 42.72 91.41 50.59 -63.70 -42.64 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 21 A H H 47.59 5.34 24.85 30.40 91.18 51.19 -63.24 -41.93 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 22 D H H 57.56 7.27 24.76 32.47 91.65 50.06 -65.03 -41.40 0.08 0.00 99.92 0.00 0.00 0.06 99.93 0.01 0.00 0.00 0.00 23 L H H 4.86 24.49 19.82 44.11 91.75 49.97 -63.95 -43.42 0.11 0.00 99.89 0.00 0.00 0.08 99.89 0.02 0.00 0.00 0.00 24 I H H 37.11 15.78 21.81 37.18 91.68 49.62 -63.36 -42.79 0.16 0.00 99.84 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 25 R H H 131.24 2.14 25.73 26.24 91.73 49.53 -63.96 -41.58 0.37 0.00 99.63 0.03 0.01 0.25 99.67 0.04 0.00 0.00 0.00 26 G H H 10.58 10.89 19.13 31.92 91.84 50.46 -64.07 -41.75 0.99 0.00 99.01 0.06 0.05 0.72 99.05 0.12 0.00 0.00 0.00 27 A H H 6.37 20.29 13.47 34.22 91.57 51.15 -63.64 -41.59 1.43 0.00 98.57 0.20 0.11 0.93 98.34 0.41 0.00 0.00 0.00 28 K H H 131.05 3.60 17.92 22.69 91.56 50.49 -64.08 -40.53 1.99 0.01 98.01 0.18 0.11 1.50 97.34 0.86 0.00 0.00 0.00 29 E H H 139.12 1.59 16.93 18.19 90.98 52.59 -65.79 -30.19 7.71 0.01 92.27 0.24 0.29 7.17 91.62 0.66 0.01 0.00 0.01 30 K C T 90.45 8.66 12.66 22.76 95.44 46.11 -95.37 7.24 83.77 0.04 16.19 0.43 1.70 80.90 16.23 0.69 0.00 0.01 0.04 31 N C T 138.26 0.85 18.38 17.58 93.10 -116.73 59.95 38.77 99.85 0.01 0.14 1.63 1.12 97.17 0.05 0.03 0.00 0.00 0.00 32 L C C 28.32 19.62 8.50 27.02 118.87 154.54 -95.44 139.97 98.43 1.54 0.02 97.54 0.98 0.06 0.00 0.01 0.00 1.31 0.09 33 K E E 141.39 2.11 23.06 24.30 110.45 -126.48 -84.18 125.98 46.49 53.47 0.05 45.28 0.90 0.09 0.01 0.03 0.00 53.01 0.68 34 V E E 33.33 21.89 9.59 29.88 120.84 -164.08 -110.87 132.81 8.48 91.49 0.03 8.59 0.24 0.02 0.02 0.01 0.00 87.44 3.68 35 K E E 132.02 3.36 19.53 23.44 110.94 -171.67 -106.40 84.24 20.34 79.62 0.04 17.15 2.61 0.18 0.01 0.03 0.00 79.25 0.78 36 G E E 32.39 4.46 19.97 25.00 132.76 -41.00 116.58 -175.18 45.07 54.91 0.01 17.78 26.82 0.39 0.00 0.02 0.00 54.74 0.25 37 P C C 65.29 12.37 15.35 27.94 115.75 -49.68 -70.74 144.59 54.53 45.45 0.02 48.91 3.54 0.11 0.00 0.02 0.00 46.94 0.48 38 V E E 40.16 14.48 15.49 30.83 122.02 -159.79 -116.87 132.21 16.10 83.88 0.02 15.28 0.68 0.03 0.01 0.01 0.00 77.45 6.53 39 R E E 144.81 5.24 20.41 27.08 115.44 -129.25 -84.84 132.80 28.34 71.64 0.02 28.20 0.62 0.03 0.01 0.01 0.00 65.58 5.55 40 M C C 37.09 20.22 11.37 30.67 119.48 -141.58 -89.50 143.03 87.55 12.44 0.01 86.52 1.69 0.03 0.00 0.01 0.00 11.30 0.46 41 P C C 60.94 6.88 18.16 26.05 115.33 -103.55 -66.38 151.66 92.18 7.77 0.05 88.39 3.66 0.22 0.01 0.04 0.00 7.14 0.54 42 T C C 82.52 9.17 13.94 24.00 105.72 -130.78 -86.57 93.24 72.80 27.06 0.14 55.07 16.49 0.62 0.03 0.15 0.00 26.38 1.26 43 K E E 108.01 6.37 15.66 23.36 122.57 73.52 -108.58 141.50 20.51 79.39 0.10 16.59 3.43 0.28 0.02 0.09 0.00 79.11 0.49 44 T E E 71.04 9.14 14.04 24.41 121.14 -152.67 -112.49 133.78 3.59 96.38 0.03 3.32 0.21 0.02 0.01 0.01 0.00 96.30 0.11 45 L E E 59.74 11.11 13.51 25.91 120.70 -161.36 -113.00 134.28 1.11 98.89 0.01 1.02 0.05 0.01 0.00 0.00 0.00 98.89 0.03 46 R E E 136.23 5.51 16.68 23.76 118.93 -155.59 -110.25 131.19 0.71 99.29 0.00 0.62 0.03 0.00 0.00 0.00 0.00 99.33 0.01 47 I E E 50.46 13.33 12.47 26.79 121.66 -168.06 -116.39 133.49 1.45 98.55 0.01 1.35 0.05 0.01 0.00 0.00 0.00 98.56 0.03 48 T E E 65.54 6.08 16.91 24.37 122.46 -161.65 -111.17 141.29 5.05 94.91 0.05 4.64 0.25 0.04 0.01 0.02 0.00 94.90 0.13 49 T E E 52.42 12.32 12.11 25.12 121.10 -157.53 -110.12 139.38 12.33 87.54 0.14 10.70 1.47 0.24 0.04 0.08 0.00 86.81 0.66 50 R E E 133.33 5.27 14.47 21.24 117.53 -136.52 -93.92 138.57 24.77 75.04 0.20 20.53 4.25 0.54 0.06 0.14 0.00 73.01 1.47 51 K C C 131.66 4.52 13.13 19.40 116.13 -126.63 -89.39 136.63 58.24 41.58 0.18 48.89 8.05 0.57 0.06 0.17 0.00 38.61 3.66 52 T C C 50.76 9.26 8.92 19.60 115.73 -118.59 -80.53 144.12 93.45 6.35 0.20 86.46 6.12 0.83 0.06 0.16 0.00 5.12 1.26 53 P C T 109.51 1.97 12.19 15.08 93.29 -126.91 -66.86 -18.90 97.02 0.92 2.05 9.23 27.12 60.50 0.19 2.05 0.00 0.63 0.29 54 C C T 87.76 3.46 9.64 14.43 100.06 58.66 -93.53 0.50 95.49 1.62 2.89 6.72 29.09 59.60 0.31 2.68 0.00 0.95 0.63 55 G C S 41.72 3.45 10.40 15.45 119.86 -89.89 113.68 169.37 89.94 4.80 5.26 28.76 47.48 13.24 0.75 4.69 0.00 2.26 2.82 56 E C T 156.37 1.33 10.06 12.38 108.28 -51.28 -71.56 127.02 90.79 2.11 7.11 7.26 16.79 66.03 0.69 7.00 0.00 1.40 0.84 57 G C T 64.21 0.89 11.63 12.22 97.78 11.74 81.63 -0.43 91.50 1.49 7.00 9.83 17.37 63.64 0.71 6.91 0.00 0.98 0.56 58 S C C 58.51 5.22 8.59 15.79 117.54 123.73 -88.22 146.27 89.40 5.87 4.73 58.27 24.31 6.72 0.85 4.36 0.00 3.65 1.84 59 K C C 141.73 3.38 12.05 17.11 112.95 -125.80 -90.75 127.35 77.05 20.89 2.06 60.76 11.72 3.91 0.46 1.78 0.00 18.94 2.42 60 T E E 68.87 7.26 11.76 20.64 125.01 -159.78 -118.23 146.39 44.24 55.24 0.52 38.13 4.56 0.92 0.16 0.42 0.00 52.92 2.89 61 W E E 111.13 9.65 11.31 22.28 119.22 -138.42 -101.13 138.13 23.83 76.05 0.12 21.57 1.59 0.28 0.04 0.08 0.00 75.00 1.44 62 D E E 83.02 5.82 14.95 22.08 110.80 -162.58 -95.06 122.06 20.64 79.30 0.06 16.09 3.70 0.30 0.01 0.04 0.00 79.59 0.26 63 R E E 126.90 6.57 14.86 22.86 122.09 -85.38 -116.38 136.51 9.49 90.49 0.02 8.47 0.59 0.04 0.00 0.01 0.00 90.72 0.15 64 F E E 59.55 13.08 12.37 26.44 126.43 -167.95 -123.09 144.38 3.05 96.95 0.00 2.89 0.06 0.00 0.00 0.00 0.00 96.97 0.07 65 Q E E 94.57 6.44 17.21 25.07 121.42 -151.48 -112.05 135.87 1.40 98.59 0.00 1.27 0.04 0.00 0.00 0.00 0.00 98.67 0.03 66 M E E 55.08 14.32 13.63 28.43 128.40 -171.90 -127.21 144.31 1.85 98.15 0.00 1.67 0.05 0.00 0.00 0.00 0.00 98.25 0.02 67 R E E 107.69 7.66 18.38 27.08 118.48 -140.12 -102.73 131.15 1.49 98.51 0.00 1.37 0.04 0.00 0.00 0.00 0.00 98.56 0.02 68 I E E 47.60 14.30 15.79 30.81 119.76 -161.91 -111.39 127.91 2.37 97.63 0.00 2.20 0.08 0.00 0.00 0.00 0.00 97.67 0.05 69 H E E 51.48 12.09 17.88 31.14 120.97 -163.05 -110.70 136.07 4.09 95.90 0.00 3.68 0.21 0.01 0.00 0.00 0.00 96.01 0.07 70 K E E 85.18 12.25 19.03 31.39 125.83 -167.59 -120.05 139.00 6.44 93.56 0.00 5.89 0.33 0.01 0.00 0.00 0.00 93.68 0.08 71 R E E 51.04 16.09 18.02 34.15 125.79 -170.29 -122.39 138.26 3.61 96.39 0.00 3.43 0.11 0.00 0.00 0.00 0.00 96.39 0.06 72 L E E 49.84 11.34 22.41 34.44 118.83 -151.57 -108.89 129.20 0.90 99.09 0.00 0.82 0.03 0.00 0.00 0.00 0.00 99.13 0.02 73 I E E 9.43 22.79 17.63 40.72 120.34 -165.40 -115.41 127.58 0.25 99.75 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 74 D E E 53.20 8.90 25.62 35.04 115.49 -158.18 -105.48 123.53 0.58 99.42 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.45 0.01 75 L E E 11.84 22.78 14.34 37.26 118.26 -163.55 -105.54 128.60 8.85 91.08 0.07 8.42 0.33 0.05 0.02 0.03 0.00 90.79 0.35 76 H C E 97.64 6.79 20.92 28.10 108.42 -164.20 -92.05 6.67 52.62 47.24 0.14 26.84 25.27 1.55 0.02 0.12 0.00 45.45 0.75 77 S C S 51.74 6.92 19.04 26.77 123.79 15.41 -136.89 133.58 90.63 9.23 0.14 18.64 69.69 1.91 0.02 0.09 0.00 9.24 0.40 78 P C C 55.24 13.68 14.13 27.86 106.60 -125.93 -69.45 114.59 94.16 1.82 4.02 80.67 9.08 4.61 2.69 1.20 0.00 1.25 0.50 79 S C C 48.94 8.49 15.66 25.08 114.23 150.13 -91.46 -89.79 68.98 0.62 30.40 48.62 11.60 6.85 30.37 1.99 0.00 0.23 0.35 80 E H H 127.48 2.86 18.92 21.89 93.17 -90.71 -64.38 -33.63 19.61 0.23 80.16 7.96 4.77 7.36 77.79 1.91 0.02 0.09 0.11 81 I H H 33.93 15.14 16.37 31.72 92.99 52.83 -65.64 -41.49 8.17 0.22 91.61 3.59 1.32 3.47 89.68 1.72 0.02 0.14 0.07 82 V H H 18.35 19.74 14.82 34.19 92.10 51.02 -64.14 -42.13 2.72 0.12 97.16 1.14 0.41 1.25 95.55 1.54 0.01 0.10 0.02 83 K H H 114.35 4.13 20.47 25.08 91.68 51.93 -63.95 -40.29 1.93 0.07 98.00 0.61 0.25 1.06 96.13 1.87 0.01 0.07 0.01 84 Q H H 87.87 5.69 20.24 26.52 92.01 50.87 -65.67 -39.75 2.84 0.10 97.06 0.66 0.31 1.81 94.28 2.81 0.01 0.09 0.01 85 I H H 13.23 22.43 15.01 36.90 92.70 50.27 -66.42 -38.48 4.55 0.18 95.27 0.82 0.51 3.11 91.72 3.64 0.03 0.15 0.03 86 T H H 50.55 14.70 16.66 30.99 92.39 56.91 -70.66 -22.40 20.47 0.43 79.10 1.99 1.77 16.27 76.25 3.20 0.11 0.27 0.14 87 S C T 82.41 2.03 20.50 21.99 95.60 56.99 -89.03 -6.55 57.94 1.10 40.96 6.70 4.53 44.39 38.84 4.38 0.09 0.63 0.45 88 I C C 45.60 16.76 10.51 27.05 117.14 106.09 -80.19 138.01 91.53 6.60 1.87 58.16 31.41 2.64 1.47 0.55 0.00 4.12 1.64 89 S C C 82.03 2.67 21.18 24.18 113.02 -138.18 -96.36 124.48 83.22 16.26 0.52 80.43 2.16 0.87 0.26 0.21 0.00 13.54 2.52 90 I C C 37.16 21.46 10.50 30.46 123.03 -168.51 -114.40 133.39 58.51 41.36 0.13 56.51 2.23 0.08 0.11 0.04 0.00 14.29 26.74 91 E C C 102.69 4.87 19.92 25.21 118.18 -124.47 -77.22 149.66 99.24 0.75 0.01 98.86 0.56 0.04 0.00 0.00 0.00 0.42 0.11 92 P C T 89.34 6.14 16.14 23.71 111.04 -84.11 -60.39 138.63 99.31 0.41 0.28 0.64 3.05 95.79 0.02 0.18 0.00 0.26 0.06 93 G C T 40.70 5.60 18.44 25.26 96.21 23.26 87.41 -5.56 99.04 0.73 0.23 1.01 3.06 95.10 0.01 0.17 0.00 0.60 0.04 94 V C C 25.75 18.44 12.54 31.21 119.77 116.31 -99.30 135.77 58.66 41.29 0.05 53.11 4.25 0.18 0.01 0.05 0.00 41.62 0.78 95 E E E 103.54 5.73 22.73 29.26 118.81 -151.64 -107.11 131.23 11.05 88.93 0.02 10.91 0.24 0.03 0.01 0.01 0.00 88.56 0.25 96 V E E 23.06 22.50 13.16 35.09 126.02 -170.96 -124.50 137.27 5.11 94.89 0.00 5.12 0.08 0.00 0.00 0.00 0.00 94.73 0.06 97 E E E 97.78 5.25 24.78 30.42 120.61 -162.90 -112.77 132.01 3.05 96.94 0.00 3.05 0.06 0.00 0.00 0.00 0.00 96.85 0.03 98 V E E 22.99 22.86 13.11 35.37 123.74 -168.30 -119.15 133.77 3.38 96.61 0.00 3.52 0.04 0.00 0.00 0.00 0.00 96.39 0.04 99 T E E 60.10 6.09 23.86 30.31 124.17 -170.35 -120.01 137.79 3.27 96.72 0.01 3.32 0.07 0.01 0.00 0.00 0.00 96.53 0.08 100 I E E 52.55 16.90 13.65 30.37 118.87 -149.16 -104.42 129.98 8.22 91.75 0.03 7.91 0.28 0.03 0.01 0.01 0.00 91.35 0.40 101 A E E 46.69 8.39 14.39 24.31 122.16 -161.15 -105.88 146.60 37.20 62.52 0.28 30.35 5.20 0.85 0.08 0.20 0.00 62.60 0.72 102 D C C 107.92 3.50 13.69 18.82 112.23 -116.50 -84.85 132.39 65.35 34.30 0.35 60.27 2.34 1.02 0.08 0.25 0.00 34.91 1.13 103 A C C 66.62 7.84 12.19 21.10 109.24 -124.96 -78.49 127.52 99.78 0.21 0.01 99.71 0.09 0.04 0.00 0.00 0.00 0.15 0.01