NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4300 8.3344 115.4245 57.7038 64.7551 173.5825 2 H 4.3110 8.3055 124.1913 56.2294 31.2227 173.7309 3 Y 4.4211 8.0099 117.3284 57.2093 39.4750 174.7165 4 E 4.2397 8.5950 121.9190 56.6252 30.2567 176.1072 5 E 4.6264 8.4709 119.5703 55.0642 33.8157 175.5756 6 G 3.8994 8.8595 105.6937 43.8589 0.0000 171.0652 7 P 4.2186 0.0000 0.0000 64.4000 31.3694 177.1324 8 G 3.8485 8.9486 110.2444 45.6976 0.0000 173.6792 9 K 4.4594 7.9546 117.3706 55.7951 33.9217 176.1861 10 N 4.9133 7.9164 115.9594 52.4029 37.8284 174.6552 11 I 4.5188 7.1117 110.7612 59.2700 40.5187 173.8195 12 P 4.3316 0.0000 0.0000 63.6929 31.5781 175.9437 13 F 4.9727 6.7676 113.7245 54.8120 40.4641 174.7534 14 S 4.3258 8.6211 117.3216 58.1636 63.2705 174.0474 15 V 4.4845 8.1000 124.7199 61.6479 31.6191 176.3622 16 E 4.2312 7.9187 117.9969 57.4516 29.4938 177.1967 17 N 4.5942 7.9141 117.9485 51.4595 41.3413 174.4298 18 K 3.7029 8.5990 129.5977 59.9611 32.3754 178.7624 19 W 4.4935 7.8351 119.4781 59.5322 29.1131 178.3644 20 R 4.0698 8.5890 118.8168 58.9939 29.5074 178.3452 21 L 3.9504 8.0569 120.4761 57.8778 42.0716 178.4063 22 L 3.9323 8.1860 120.3404 58.3241 41.9779 178.9063 23 A 4.0504 7.9994 120.0132 55.5824 18.3618 179.5686 24 M 4.0605 8.3125 117.3430 58.8545 32.0540 178.9969 25 M 4.1774 8.7309 119.1949 58.4781 32.0897 179.0267 26 T 3.9782 8.2391 116.1818 66.6696 68.6012 176.7739 27 L 4.0537 8.0038 120.9249 58.2542 41.5254 178.6519 28 F 4.0724 8.4910 120.6551 61.6516 39.1803 177.0919 29 F 4.2216 8.8120 117.1821 60.2410 38.9639 178.1870 30 G 3.7468 8.4023 105.8475 47.9333 0.0000 175.9017 31 S 4.3139 8.4487 117.7649 61.0423 62.6646 176.8496 32 G 3.5249 7.6031 108.6115 47.5425 0.0000 175.2503 33 F 4.3926 8.3328 121.9382 60.7979 39.6373 176.9220 34 A 4.3727 8.5284 120.5361 54.6189 18.2132 179.0073 35 A 4.0151 8.0026 119.5666 55.4188 18.3318 177.9708 36 P 4.1011 0.0000 0.0000 65.8627 31.4854 178.8496 37 F 3.9379 7.9712 115.8945 60.4292 38.8316 177.2811 38 F 4.2032 8.1892 116.5058 59.5826 38.8149 178.0806 39 I 3.8482 7.7541 120.2121 64.1867 36.9621 178.3583 40 V 3.5618 7.9586 119.3291 65.8780 31.2973 178.1014 41 R 3.8443 7.8896 118.2177 59.7184 29.7365 178.0025 42 H 4.2292 8.0934 116.9260 59.4108 29.8952 176.9818 43 Q 4.0777 8.0950 119.2082 58.7380 28.6066 178.2300 44 L 4.1860 7.7251 119.4175 57.1593 41.6436 178.3191 45 L 4.4610 7.5844 117.0688 54.8455 41.6615 177.3279 46 K 4.3015 8.6500 119.9685 55.3147 33.7063 176.3090 47 K 3.9494 7.9645 123.2188 56.8749 32.6006 173.7990 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 S 8.33 4.43 0.00 3.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 H 8.31 4.31 0.00 2.92 2.73 0.00 5.92 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.01 4.42 0.00 3.04 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.60 4.24 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 5 E 8.47 4.63 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.47 0.00 6 G 8.86 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.22 0.00 2.02 2.03 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 8 G 8.95 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.95 4.46 0.00 1.81 1.79 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.57 7.81 10 N 7.92 4.91 0.00 2.76 2.84 0.00 0.00 5.83 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.11 4.52 0.96 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.47 0.71 0.00 0.00 12 P 0.00 4.33 0.00 2.23 2.20 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.99 0.00 13 F 6.77 4.97 0.00 3.07 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.62 4.33 0.00 3.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.10 4.48 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.00 0.00 0.00 16 E 7.92 4.23 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 17 N 7.91 4.59 0.00 2.82 2.69 0.00 0.00 6.90 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.60 3.70 0.00 1.50 1.75 0.00 0.86 0.00 0.00 1.10 0.00 0.00 2.70 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.82 0.21 7.81 19 W 7.84 4.49 0.00 3.62 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.59 4.07 0.00 1.98 1.98 0.00 3.14 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 21 L 8.06 3.95 0.00 1.85 1.81 1.10 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.19 3.93 0.00 2.13 1.92 1.27 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.00 4.05 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 M 8.31 4.06 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.59 0.00 25 M 8.73 4.18 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.51 0.00 26 T 8.24 3.98 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 27 L 8.00 4.05 0.00 1.95 1.76 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.49 4.07 0.00 3.01 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.81 4.22 0.00 3.18 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.40 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.45 4.31 0.00 4.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.60 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.33 4.39 0.00 3.19 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.53 4.37 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.00 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.10 0.00 1.65 1.85 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 37 F 7.97 3.94 0.00 3.10 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.19 4.20 0.00 3.21 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.75 3.85 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.91 0.91 0.00 0.00 40 V 7.96 3.56 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.81 0.00 0.00 41 R 7.89 3.84 0.00 1.95 2.07 0.00 3.13 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 42 H 8.09 4.23 0.00 3.23 3.62 0.00 6.00 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.10 4.08 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 44 L 7.73 4.19 0.00 1.85 1.71 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.58 4.46 0.00 1.63 1.68 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.65 4.30 0.00 1.67 1.80 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.40 7.81 47 K 7.96 3.95 0.00 1.81 1.75 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.18 1.09 7.81