# 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 S C C 70.07 6.52 15.65 23.41 113.44 -157.20 -101.51 130.15 99.69 0.31 0.01 99.62 0.11 0.03 0.00 0.00 0.00 0.22 0.01 1 H C C 88.97 10.23 12.89 24.04 121.41 -167.85 -111.86 138.19 66.34 33.13 0.53 62.31 2.01 0.96 0.15 0.30 0.00 33.23 1.05 2 T E E 76.94 6.66 16.70 24.66 120.16 -146.83 -103.50 135.78 38.77 60.78 0.44 31.57 5.97 0.67 0.09 0.31 0.00 60.84 0.55 3 V E E 30.14 18.68 13.06 31.58 123.42 -164.37 -117.49 134.05 9.56 90.20 0.24 8.79 0.61 0.09 0.12 0.08 0.00 89.98 0.31 4 K E E 107.91 6.66 22.38 29.86 118.68 -151.88 -104.27 130.15 6.51 93.23 0.26 6.18 0.30 0.07 0.14 0.07 0.00 92.98 0.26 5 I E E 27.39 19.77 14.47 34.16 117.56 -158.75 -103.24 124.64 22.62 76.76 0.62 21.89 0.76 0.17 0.26 0.24 0.00 75.95 0.72 6 Y C C 82.79 10.77 18.55 29.93 115.64 -165.79 -96.90 149.40 58.04 36.71 5.25 40.01 12.77 5.34 0.94 4.16 0.00 35.64 1.14 7 D C S 100.12 5.60 20.99 27.05 98.92 -56.94 -71.55 -11.77 75.48 18.10 6.42 11.63 38.13 26.88 0.72 5.10 0.03 16.29 1.22 8 T C C 63.85 9.81 20.41 30.25 107.61 54.95 -103.48 36.30 75.42 16.84 7.74 29.84 20.60 26.57 1.15 6.51 0.02 13.72 1.58 9 C C C 12.82 23.10 14.17 36.61 114.80 128.52 -95.44 128.46 77.24 20.54 2.22 66.14 6.98 3.22 0.69 1.73 0.00 15.57 5.67 10 I C C 60.39 12.22 23.38 35.48 113.86 -159.38 -100.51 124.53 74.85 22.64 2.51 32.54 19.50 25.10 0.90 1.66 0.06 14.99 5.26 11 G C S 29.50 10.90 23.70 34.52 97.52 0.62 76.63 12.34 90.03 7.78 2.19 27.80 34.56 28.67 0.71 1.34 0.01 5.33 1.58 12 C C C 11.95 22.68 15.73 37.74 102.61 131.67 -82.76 32.21 86.16 2.22 11.62 76.01 7.22 2.55 10.83 1.24 0.00 0.91 1.24 13 T H H 65.44 9.51 22.33 32.05 93.97 95.02 -64.55 -38.43 28.19 0.49 71.31 10.52 10.98 8.70 67.84 1.47 0.05 0.14 0.30 14 Q H H 85.60 6.50 24.92 31.59 92.34 52.26 -66.47 -39.92 13.65 0.61 85.74 7.19 3.34 4.51 82.50 1.83 0.08 0.31 0.24 15 C H H 4.38 23.96 17.74 41.78 91.92 51.46 -64.74 -42.64 2.93 0.61 96.45 1.37 0.59 1.53 93.01 2.84 0.04 0.52 0.10 16 V H H 20.91 20.60 18.87 38.74 91.63 51.62 -63.64 -39.96 2.30 0.87 96.83 0.88 0.35 1.34 93.64 2.81 0.04 0.83 0.11 17 R H H 153.29 3.06 24.32 27.62 91.55 53.06 -66.66 -32.48 6.75 0.69 92.56 1.38 0.49 5.17 89.99 2.12 0.10 0.60 0.16 18 A H H 37.33 11.70 19.53 31.75 93.35 52.37 -81.60 -18.67 20.81 0.43 78.76 1.33 2.02 17.75 77.37 0.89 0.20 0.13 0.32 19 C C C 7.64 24.52 10.29 34.21 111.70 87.74 -93.77 117.76 98.58 0.78 0.64 71.13 26.21 1.14 0.57 0.11 0.00 0.26 0.59 20 P C T 92.02 3.85 21.08 25.70 92.79 -156.60 -66.93 -20.22 93.16 0.61 6.23 21.27 19.60 51.99 2.57 3.92 0.00 0.33 0.32 21 T C T 57.87 10.15 17.64 28.38 98.63 50.22 -95.81 -1.57 91.16 0.74 8.10 5.24 28.31 57.76 3.29 4.60 0.00 0.41 0.40 22 D C C 82.76 9.66 21.24 31.09 95.57 -117.62 58.36 43.34 86.58 4.80 8.63 45.56 23.09 17.76 2.29 6.78 0.00 3.46 1.06 23 V C C 10.96 21.27 18.58 40.05 96.88 146.60 -83.49 -25.88 77.59 16.45 5.96 38.89 32.31 6.49 2.31 3.56 0.01 15.35 1.07 24 L E E 5.78 25.15 16.89 42.38 126.63 43.97 -123.64 137.97 25.81 68.61 5.58 17.54 7.51 3.53 2.35 2.74 0.02 64.75 1.55 25 E E E 84.24 7.86 26.28 34.76 127.44 -171.01 -123.98 142.59 14.64 82.87 2.49 11.94 2.16 0.99 1.13 1.04 0.00 82.00 0.74 26 M E E 52.96 18.90 16.59 34.83 115.34 -128.49 -90.44 129.56 18.29 80.30 1.41 15.70 2.50 0.69 0.79 0.66 0.00 77.39 2.27 27 V C E 37.52 11.81 16.44 29.92 121.55 -164.30 -114.25 134.71 52.45 47.12 0.43 45.55 5.30 0.53 0.15 0.26 0.00 47.04 1.18 28 P C C 80.35 5.24 18.19 24.25 112.46 -109.57 -67.90 141.96 73.04 24.69 2.27 59.05 8.46 3.97 0.46 1.81 0.00 25.04 1.21 29 W C C 92.38 14.76 9.35 23.57 109.20 -148.39 -99.59 91.93 74.16 15.88 9.96 42.26 16.11 16.26 2.04 8.12 0.03 9.68 5.51 30 D C T 121.41 1.61 14.35 16.20 100.87 26.76 -54.29 53.84 86.79 4.20 9.01 12.18 17.21 56.92 1.49 7.85 0.01 2.87 1.47 31 G C T 61.77 1.30 13.95 15.14 97.87 -51.90 83.28 1.87 90.15 2.01 7.84 12.46 20.53 56.91 1.20 6.87 0.00 1.38 0.65 32 C C C 40.68 13.05 8.10 21.30 120.81 118.24 -94.88 146.47 79.11 16.56 4.33 55.05 17.49 5.72 1.80 2.81 0.01 9.42 7.69 33 K C C 121.46 3.00 18.00 21.08 116.92 -127.38 -89.05 143.33 73.79 18.68 7.52 55.63 10.70 6.13 3.87 4.12 0.01 13.04 6.50 34 A C G 51.44 13.20 11.82 24.87 96.24 -110.61 -61.70 -32.77 48.54 9.97 41.49 13.52 10.56 26.51 10.66 28.88 0.27 7.43 2.18 35 N H G 108.51 4.07 17.56 22.46 95.12 54.18 -72.28 -9.99 44.20 11.50 44.31 13.44 9.26 23.65 12.40 29.98 0.21 9.51 1.56 36 Q H G 89.48 7.55 17.60 25.82 99.54 70.97 -85.60 -11.06 36.70 19.17 44.13 22.21 8.22 9.05 13.41 28.60 0.09 16.53 1.88 37 I E E 32.24 19.75 12.48 31.02 104.96 73.34 -87.04 16.01 30.82 44.02 25.16 20.01 6.22 5.43 17.70 8.89 0.31 33.65 7.78 38 A E E 51.67 10.34 18.21 28.68 102.19 66.73 -79.11 -17.06 37.85 39.47 22.67 21.86 9.34 9.31 13.46 9.27 0.24 33.49 3.04 39 S C C 69.78 5.83 20.24 26.69 109.07 40.44 -99.11 70.90 49.95 31.32 18.73 26.20 13.79 13.11 8.85 9.49 0.32 24.53 3.71 40 A C C 31.39 17.30 13.99 30.76 119.77 101.83 -91.26 139.39 87.82 11.16 1.02 64.65 22.68 0.92 0.66 0.44 0.00 9.22 1.42 41 P C C 49.05 11.88 16.58 29.25 112.63 -105.60 -67.23 151.31 84.30 9.72 5.98 70.07 8.74 5.03 2.94 3.10 0.00 7.64 2.48 42 R C C 122.16 7.68 18.45 26.62 111.68 -108.39 -80.62 129.82 84.04 8.71 7.25 70.98 7.60 4.67 3.49 3.89 0.00 4.74 4.62 43 T C G 51.92 16.07 12.89 27.98 99.57 -154.91 -76.78 -24.97 50.17 4.07 45.76 31.25 8.86 10.84 7.08 38.30 0.00 2.58 1.10 44 E H G 137.61 3.10 18.34 22.16 95.69 73.99 -71.95 -21.31 41.39 4.28 54.32 11.74 10.15 22.15 7.80 44.04 0.04 3.06 1.03 45 D H G 88.41 5.90 18.43 25.03 100.98 50.04 -93.87 19.97 40.96 4.89 54.15 14.67 9.48 19.49 6.66 45.09 0.04 3.41 1.15 46 C C C 18.37 21.46 11.55 31.99 111.97 117.89 -86.83 121.51 73.52 13.62 12.86 56.90 9.76 5.89 5.60 7.91 0.02 8.96 4.97 47 V C T 65.96 8.99 21.51 30.89 115.54 -163.43 -99.02 130.69 71.71 19.28 9.00 21.85 12.81 38.05 5.40 3.56 0.26 12.20 5.87 48 G C T 28.96 10.16 21.08 31.51 100.43 13.60 85.61 -0.46 83.52 8.34 8.14 16.78 22.76 44.99 4.04 3.56 0.08 5.54 2.25 49 C C C 16.75 20.81 13.21 33.28 101.86 133.26 -75.43 60.43 89.09 2.44 8.46 79.04 7.33 2.36 7.53 1.40 0.00 1.12 1.22 50 K H H 133.30 3.13 21.11 24.89 93.19 68.25 -62.36 -40.31 26.84 0.78 72.38 5.97 6.08 16.23 65.51 5.18 0.25 0.43 0.36 51 R H H 119.91 5.51 20.83 26.76 92.60 50.32 -67.71 -37.08 23.22 1.21 75.58 4.70 4.38 15.52 67.97 5.80 0.37 0.86 0.41 52 C H H 7.42 22.85 13.32 35.89 93.48 51.60 -70.32 -36.66 13.62 1.84 84.53 6.46 2.64 5.90 76.10 6.86 0.09 1.58 0.37 53 E H H 86.86 12.61 17.44 29.75 92.24 58.95 -63.73 -37.17 12.12 1.80 86.09 4.74 2.07 6.31 77.86 6.95 0.14 1.57 0.36 54 S H H 85.43 1.32 21.42 21.02 92.86 52.37 -72.68 -26.54 20.18 0.99 78.83 3.77 2.65 14.02 72.99 5.32 0.20 0.77 0.29 55 A H H 40.33 11.11 16.56 28.30 96.04 51.14 -83.76 -26.28 29.31 0.94 69.76 4.14 5.91 20.52 65.31 2.89 0.29 0.45 0.48 56 C C C 14.86 20.48 9.94 29.61 112.10 51.28 -114.60 106.50 97.91 1.09 1.00 63.07 33.59 1.20 0.79 0.22 0.00 0.38 0.74 57 P C T 92.07 3.72 17.55 22.17 94.51 -168.73 -66.78 -19.82 87.54 1.31 11.15 28.16 15.28 44.24 5.09 5.87 0.00 0.91 0.45 58 T C T 78.45 5.33 16.20 22.40 103.10 49.27 -98.94 -2.84 80.80 3.04 16.16 10.52 22.60 48.34 7.72 7.55 0.05 2.38 0.85 59 D C C 91.82 7.78 17.25 25.83 98.47 -116.89 8.16 43.42 78.47 6.66 14.87 46.69 16.73 15.01 7.12 7.97 0.01 5.16 1.32 60 F C C 60.29 14.95 15.61 30.44 100.21 148.23 -89.75 -13.87 65.19 19.82 14.99 43.10 15.13 6.67 9.60 5.42 0.02 18.34 1.72 61 L E E 39.61 18.79 14.36 32.51 121.63 65.58 -112.65 132.07 32.57 54.42 13.02 23.66 5.94 3.91 9.12 4.32 0.04 51.07 1.94 62 S E E 55.01 7.39 21.26 29.42 125.35 -168.80 -118.95 139.73 22.73 68.15 9.12 18.14 2.56 1.60 6.48 2.48 0.01 67.95 0.77 63 V E E 49.62 17.41 13.88 30.91 122.33 -160.44 -117.45 130.84 19.95 72.09 7.96 16.54 1.56 0.87 6.37 1.48 0.00 72.67 0.52 64 R E E 122.76 6.18 18.22 25.74 121.20 -167.03 -115.27 131.68 18.14 74.60 7.27 14.63 1.53 0.89 5.98 1.36 0.00 75.19 0.42 65 V E E 59.80 12.39 13.56 26.80 119.71 -157.42 -109.50 129.65 20.93 71.80 7.27 16.85 1.92 1.14 5.71 1.59 0.00 72.24 0.55 66 Y E E 110.11 7.32 14.04 22.99 118.15 -163.38 -110.07 127.71 30.38 62.95 6.67 23.89 3.91 2.22 5.19 1.94 0.00 61.67 1.18 67 L C E 97.82 6.49 11.88 19.92 114.31 -161.84 -102.30 120.74 49.30 43.33 7.37 27.69 11.68 11.26 4.36 3.24 0.03 40.10 1.64 68 G C T 49.03 3.42 12.69 17.09 115.38 -35.67 88.89 -159.43 79.31 12.95 7.74 28.08 22.09 29.49 4.12 3.38 0.01 11.58 1.25 69 S C C 88.85 2.38 12.12 15.54 105.58 -31.32 -89.05 64.23 78.47 7.51 14.01 29.90 23.69 25.65 7.97 5.48 0.03 5.87 1.41 70 E C C 120.76 4.63 10.88 17.31 116.35 146.81 -97.80 136.82 58.98 18.90 22.12 33.06 15.36 10.96 15.82 6.27 0.14 15.63 2.77 71 T C C 82.89 5.58 11.39 18.73 119.40 -154.54 -105.48 139.14 50.49 24.83 24.68 35.83 8.12 6.06 19.43 5.74 0.07 22.05 2.72 72 T C C 73.52 7.29 10.24 19.09 117.12 -156.72 -105.02 134.78 40.85 28.06 31.08 28.21 6.62 6.00 24.56 6.72 0.10 25.10 2.69 73 R C H 155.42 3.53 11.14 16.33 113.65 -153.54 -96.11 130.40 40.78 23.23 35.99 24.17 7.73 9.50 25.99 9.58 0.16 20.66 2.21 74 S C H 78.34 3.35 10.48 15.40 113.76 -130.75 -94.07 131.45 47.52 16.19 36.29 22.47 9.05 16.58 24.56 11.09 0.21 13.92 2.10 75 M C T 126.80 4.14 9.94 15.32 102.93 -6.32 -87.32 33.12 60.30 10.33 29.37 19.08 11.56 29.21 19.29 10.28 0.18 8.51 1.88 76 G C T 52.77 3.09 11.05 15.51 103.91 -67.30 79.97 3.85 72.72 14.63 12.65 25.25 16.23 32.33 6.49 5.39 0.06 12.46 1.78 77 L C C 98.44 5.29 8.37 15.46 115.00 127.40 -93.76 132.30 59.60 28.95 11.45 40.31 9.49 9.70 6.30 5.27 0.05 25.44 3.43 78 A C C 73.81 3.91 9.96 15.69 117.37 -152.63 -98.89 137.19 60.75 28.94 10.30 47.92 3.87 7.90 6.38 3.81 0.01 24.96 5.15 79 Y C C 134.98 6.89 11.84 20.06 115.88 -143.09 -100.67 130.49 98.41 1.43 0.16 98.35 0.19 0.15 0.09 0.02 0.00 1.10 0.12