NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 M 4.4809 8.1633 118.3258 55.3941 33.4780 173.6018 502 Q 5.5620 8.4472 117.3537 51.9132 31.9142 173.3423 503 I 4.3548 8.4424 114.9628 59.4241 41.8813 173.2574 504 F 5.4578 8.5132 121.8953 55.8850 42.5362 174.9206 505 V 4.9044 8.9339 121.2553 61.4031 34.0012 174.9449 506 K 4.9835 9.3535 127.6927 55.5595 34.9098 175.3107 507 T 4.9241 8.1632 114.6839 60.5922 69.8177 173.1931 508 L 4.1565 7.9377 127.5069 58.5767 43.8883 179.6467 509 T 4.2187 8.2240 110.2592 64.2927 67.3393 174.8831 510 G 4.1523 9.1494 114.5563 47.0726 0.0000 173.6401 511 K 4.0288 7.8987 117.7901 57.7412 32.7640 177.0384 512 T 5.4682 8.0141 113.8641 61.8976 67.6078 172.9318 513 I 4.3291 7.9210 119.5134 60.4133 40.0466 175.6195 514 T 5.2353 8.4749 112.9258 60.0345 71.1599 173.0650 515 L 4.7659 9.0113 124.8755 52.8357 45.1563 175.2244 516 E 4.7470 8.6915 123.8026 55.4664 30.1584 175.1239 517 V 4.7301 9.0720 120.4430 59.6265 36.2885 174.3869 518 E 4.6273 9.8615 121.9095 53.9132 32.4064 174.9097 519 P 4.2234 0.0000 0.0000 65.7771 31.5626 178.3897 520 S 4.2964 7.8881 110.3912 59.6521 63.7683 174.2507 521 D 4.3416 8.1910 123.3677 54.9599 41.2536 176.6405 522 T 4.6673 8.2530 114.2194 60.9368 71.4205 175.9610 523 I 3.7347 8.5516 122.3658 64.4545 37.0219 178.5550 524 E 3.9447 8.1831 118.9200 59.6926 29.5249 178.6742 525 N 4.2644 8.0247 116.4439 56.8777 38.9225 176.9210 526 V 3.7436 7.6079 119.0767 65.6462 31.4289 178.1353 527 K 4.6278 8.2085 118.6049 58.7359 32.0765 178.8457 528 A 4.1354 8.0046 121.0385 55.3105 18.2619 179.8119 529 K 3.8742 7.6382 115.5339 59.7873 32.0611 179.6346 530 I 3.8094 7.6698 119.6294 63.8256 36.7246 178.3179 531 Q 4.4131 8.0401 122.2410 58.9833 28.8007 177.6771 532 D 4.2041 8.0908 118.0425 57.2537 40.8746 178.5665 533 K 4.1058 7.7070 119.1400 59.0208 32.5138 177.9843 534 E 4.5176 8.3891 115.6296 55.7777 30.6353 177.1927 535 G 3.9646 9.1113 108.2359 44.8218 0.0000 173.7300 536 I 3.9115 7.4430 121.9856 60.2103 38.0126 173.5206 537 P 4.6918 0.0000 0.0000 61.6156 32.2957 175.0203 538 P 4.2101 0.0000 0.0000 65.9380 31.2494 178.0905 539 D 4.2511 8.1727 114.8064 55.5291 39.0574 176.8687 540 Q 4.5523 7.8764 117.0614 55.6685 29.7817 174.7705 541 Q 4.5435 9.0744 120.0024 54.5839 30.7552 174.6098 542 R 4.7770 8.4908 123.9395 54.5159 32.9770 173.8841 543 L 5.2548 8.5449 125.8643 53.0534 44.8286 175.4500 544 I 5.1152 8.4985 123.0650 59.4988 41.4100 174.2652 545 F 4.8177 9.4266 128.1172 56.7641 42.3251 174.4912 546 A 3.2666 8.9258 129.9418 53.0119 15.5109 177.0203 547 G 3.9464 7.9164 107.8244 44.7546 0.0000 172.5246 548 K 4.4842 7.9506 120.3471 54.3855 33.9924 174.8764 549 Q 4.5511 8.5096 125.3125 55.4236 29.5197 175.3961 550 L 4.0183 9.1044 128.1349 54.6547 42.8420 176.2092 551 E 4.7001 9.0758 121.6402 54.5616 31.5441 176.8346 552 D 4.4201 9.3026 124.3993 57.7528 41.0045 178.4085 553 G 3.7619 8.0687 105.0301 46.7596 0.0000 173.4103 554 R 4.4930 7.9062 119.9640 54.6427 32.2583 176.1660 555 T 4.7791 7.9797 111.1281 60.6051 70.4020 176.0382 556 L 4.1275 8.8388 122.7448 57.9752 42.0844 180.0569 557 S 4.1256 8.2310 112.7893 61.3033 61.9141 175.9671 558 D 4.3067 7.5993 120.7225 56.9722 40.5857 177.2566 559 Y 4.5072 7.1845 113.1307 57.0390 38.2629 174.8088 560 N 4.1004 7.7582 117.0485 54.5541 37.9165 174.2998 561 I 3.4769 7.5518 118.4825 60.0340 36.8245 175.4874 562 Q 4.5739 7.9094 126.2478 53.0904 31.2472 175.3193 563 K 3.9826 8.3230 117.2191 59.1425 32.4615 176.5269 564 E 3.4231 9.1144 119.5027 56.9594 27.8641 174.9714 565 S 4.5599 7.5810 115.2131 58.9220 64.3369 173.2870 566 T 5.0818 8.6544 118.8909 62.0661 70.3698 173.8743 567 L 4.7593 9.4987 128.0157 54.0119 44.2902 175.3774 568 H 5.3060 8.8725 119.3250 54.0747 31.6199 173.2921 569 L 4.6527 9.5186 127.5966 54.1831 43.2766 175.3360 570 V 4.4537 9.2798 128.1564 61.5654 32.9189 174.3774 571 L 4.9675 8.3396 127.8608 52.2690 44.4969 176.7677 572 R 3.8700 8.6872 120.0422 55.9133 29.6666 176.2488 573 L 3.9012 8.5434 125.0024 55.3996 42.4264 176.7613 574 R 4.3622 8.3952 124.9096 54.9558 31.6730 175.6947 575 G 3.9987 8.2584 108.9126 44.5599 0.0000 174.3008 576 G 3.7083 8.2800 107.0150 45.6039 0.0000 172.7608 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 501 M 8.16 4.48 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.68 0.00 502 Q 8.45 5.56 0.00 1.92 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.22 0.00 503 I 8.44 4.35 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.80 0.72 0.00 0.00 504 F 8.51 5.46 0.00 3.10 2.96 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 0.00 505 V 8.93 4.90 2.12 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 1.01 0.00 0.00 0.94 0.00 0.00 506 K 9.35 4.98 0.00 1.79 1.80 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.41 7.81 507 T 8.16 4.92 4.27 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 1.32 0.00 0.00 508 L 7.94 4.16 0.00 1.70 1.71 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 509 T 8.22 4.22 4.25 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 1.21 0.00 0.00 510 G 9.15 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 511 K 7.90 4.03 0.00 1.77 1.80 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.40 7.81 512 T 8.01 5.47 4.24 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 1.19 0.00 0.00 513 I 7.92 4.33 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.97 0.99 0.00 0.00 514 T 8.47 5.24 4.68 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 1.36 0.00 0.00 515 L 9.01 4.77 0.00 1.53 1.53 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 516 E 8.69 4.75 0.00 1.94 1.85 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 2.23 2.37 0.00 517 V 9.07 4.73 2.13 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 0.65 0.00 0.00 0.86 0.00 0.00 518 E 9.86 4.63 0.00 2.11 1.75 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 2.16 2.27 0.00 519 P 0.00 4.22 0.00 2.18 2.07 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 520 S 7.89 4.30 0.00 3.96 3.97 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 0.00 521 D 8.19 4.34 0.00 2.77 2.63 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 0.00 522 T 8.25 4.67 4.25 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 1.21 0.00 0.00 523 I 8.55 3.73 2.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.26 0.93 0.00 0.00 524 E 8.18 3.94 0.00 2.01 2.01 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 2.51 2.46 0.00 525 N 8.02 4.26 0.00 2.87 3.06 0.00 0.00 6.95 7.07 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 0.00 526 V 7.61 3.74 2.24 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 0.94 0.00 0.00 527 K 8.21 4.63 0.00 1.95 1.86 0.00 1.73 0.00 0.00 1.57 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.51 7.81 528 A 8.00 4.14 1.32 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 0.00 529 K 7.64 3.87 0.00 2.02 1.87 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.71 7.81 530 I 7.67 3.81 2.19 0.00 0.00 0.86 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 0.86 0.92 0.00 0.00 531 Q 8.04 4.41 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 532 D 8.09 4.20 0.00 2.68 2.73 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 0.00 533 K 7.71 4.11 0.00 1.70 1.83 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 534 E 8.39 4.52 0.00 2.08 1.97 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 2.27 2.45 0.00 535 G 9.11 3.96 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 0.00 536 I 7.44 3.91 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.31 0.92 0.00 0.00 537 P 0.00 4.69 0.00 2.22 2.17 0.00 3.73 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 538 P 0.00 4.21 0.00 2.20 2.17 0.00 3.62 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 539 D 8.17 4.25 0.00 2.78 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 0.00 540 Q 7.88 4.55 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 541 Q 9.07 4.54 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 542 R 8.49 4.78 0.00 1.97 1.75 0.00 3.10 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 543 L 8.54 5.25 0.00 1.58 1.49 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 544 I 8.50 5.12 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.73 0.95 0.00 0.00 545 F 9.43 4.82 0.00 2.94 2.71 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 0.00 546 A 8.93 3.27 0.45 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 0.00 547 G 7.92 3.95 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 0.00 548 K 7.95 4.48 0.00 1.88 1.72 0.00 1.90 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.40 1.38 7.81 549 Q 8.51 4.55 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 550 L 9.10 4.02 0.00 1.41 1.40 0.77 -1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 551 E 9.08 4.70 0.00 2.06 1.90 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 2.29 2.38 0.00 552 D 9.30 4.42 0.00 2.66 2.79 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 0.00 553 G 8.07 3.76 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 0.00 554 R 7.91 4.49 0.00 1.92 1.58 0.00 2.67 0.00 0.00 3.05 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 555 T 7.98 4.78 4.36 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 1.21 0.00 0.00 556 L 8.84 4.13 0.00 1.82 1.67 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 557 S 8.23 4.13 0.00 3.98 3.82 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 0.00 558 D 7.60 4.31 0.00 2.65 2.37 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 0.00 559 Y 7.18 4.51 0.00 3.13 2.98 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 0.00 0.00 0.00 0.00 560 N 7.76 4.10 0.00 2.94 3.03 0.00 0.00 7.12 7.33 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 0.00 561 I 7.55 3.48 1.75 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.01 0.52 0.00 0.00 562 Q 7.91 4.57 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 563 K 8.32 3.98 0.00 1.79 1.79 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.42 7.81 564 E 9.11 3.42 0.00 2.16 2.31 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 2.42 2.25 0.00 565 S 7.58 4.56 0.00 3.63 3.92 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 0.00 566 T 8.65 5.08 4.33 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 1.29 0.00 0.00 567 L 9.50 4.76 0.00 1.52 1.58 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 568 H 8.87 5.31 0.00 3.07 3.20 0.00 5.60 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 569 L 9.52 4.65 0.00 1.74 1.67 0.99 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 570 V 9.28 4.45 2.18 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 0.90 0.00 0.00 0.94 0.00 0.00 571 L 8.34 4.97 0.00 1.53 1.53 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 572 R 8.69 3.87 0.00 1.91 1.97 0.00 3.07 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 573 L 8.54 3.90 0.00 1.62 1.63 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 574 R 8.40 4.36 0.00 1.84 1.85 0.00 3.25 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 575 G 8.26 4.00 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 0.00 576 G 8.28 3.71 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