NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 410 S 4.3947 8.1933 117.1085 56.8503 64.8313 176.7869 411 P 3.6069 0.0000 0.0000 63.6216 31.6006 172.2664 412 E 4.6577 7.9312 113.0465 55.5226 32.0542 175.0390 413 F 4.4518 8.3231 123.4761 59.5654 39.6978 173.9412 414 G 3.4433 8.2720 116.2498 46.0386 0.0000 174.3848 415 Y 3.6429 7.5444 116.6758 59.5649 37.9590 176.0538 416 W 5.0931 7.5356 118.9720 56.4190 29.7716 176.1957 417 I 4.1796 7.5853 111.3567 60.3498 38.6297 175.4478 418 T 4.4795 8.1023 117.9550 62.0134 67.5977 174.8338 419 C 4.3201 8.6342 122.6265 60.6019 30.3470 173.2259 420 C 4.6803 7.6321 113.4242 56.5504 31.5050 172.6949 421 P 4.2990 0.0000 0.0000 65.1354 30.8539 177.6075 422 T 4.4917 7.7051 105.6211 60.9661 69.0586 173.5268 423 C 3.9496 7.8422 122.2633 60.9578 31.6170 173.3001 424 D 4.7414 8.6246 125.0723 54.2600 41.6880 176.5504 425 V 4.0509 7.7551 120.0161 62.3895 31.9818 174.4741 426 D 4.9566 8.7689 125.9771 52.1316 43.9231 175.8444 427 I 2.0795 8.5584 126.2893 63.2474 37.8681 175.8980 428 N 4.6767 8.7993 115.8877 53.6712 38.7239 175.4496 429 T 4.6142 7.4080 105.1310 60.3808 70.7799 174.1175 430 W 4.2951 8.4058 132.7340 58.0400 31.1954 175.2753 431 V 3.8745 6.5139 116.2936 58.1665 35.1538 173.4359 432 P 4.0238 0.0000 0.0000 63.0061 31.7933 174.8932 433 F 4.5809 9.9220 121.9627 60.0599 41.1553 175.3332 434 Y 4.3678 8.0417 117.6435 57.1811 38.4824 176.8249 435 S 4.2104 9.5025 117.5981 60.8335 63.1913 175.3014 436 T 4.3107 7.9199 109.4621 62.0041 69.3598 174.3522 437 E 4.7075 7.9037 122.3144 55.4695 30.5216 174.2186 438 L 4.7057 8.1598 121.2806 55.4846 44.4915 176.5011 439 N 5.3669 8.1956 114.8548 52.8969 40.3280 174.7993 440 K 3.7436 7.5352 116.8193 53.0673 36.0363 174.2452 441 P 4.5707 0.0000 0.0000 62.3830 32.1263 176.0348 442 A 4.3607 10.0777 124.2663 52.5251 19.4433 176.3477 443 M 5.3338 8.4768 119.1909 53.7611 36.6770 174.5208 444 I 4.7628 8.8107 119.9410 59.5453 42.3666 173.2502 445 Y 3.9480 8.1925 129.5362 56.9176 40.1240 173.2517 446 C 4.6558 7.9996 127.9354 58.2541 32.9557 173.7536 447 S 4.1854 8.0810 121.8577 58.8357 63.1534 174.2012 448 H 4.3372 8.0469 121.5014 57.3628 31.2586 174.7952 449 G 3.6708 7.7993 114.7726 47.3255 0.0000 174.0668 450 D 4.5008 8.8216 123.9486 53.7122 40.8411 176.5512 451 G 4.2759 10.0056 105.8183 44.8814 0.0000 172.5792 452 H 4.7053 6.8279 113.0576 54.3695 31.5142 172.4001 453 W 5.1207 8.8102 119.5014 55.8469 30.5287 176.1407 454 V 4.5943 8.5142 115.6297 59.7534 36.0620 174.6098 455 H 4.8113 8.6376 119.5884 55.2796 29.7274 176.5906 456 A 4.0099 8.8783 126.6433 55.4716 18.1844 179.7967 457 Q 4.2610 8.3668 118.8746 59.0229 29.0171 177.8633 458 C 4.3554 7.9415 116.5039 61.8688 27.1675 174.6949 459 M 4.5529 8.0247 119.4492 54.1606 31.7986 175.8364 460 D 4.4131 8.0189 117.8858 55.1491 39.1689 173.6692 461 L 4.3601 7.4382 116.7376 54.1676 42.3983 178.0015 462 E 4.4062 8.7220 123.2224 55.8039 31.4919 177.4730 463 E 3.9822 8.9702 122.1925 59.7589 29.6694 179.5361 464 R 3.7969 7.9794 115.4285 59.4968 29.3883 178.7749 465 T 3.7921 7.7623 115.8825 66.2565 68.5726 176.1313 466 L 3.7850 7.7864 122.1695 58.1815 42.1665 179.0995 467 I 3.7399 7.8253 121.3475 64.1482 36.8128 178.1156 468 H 4.4134 8.1309 116.1488 58.9943 28.7063 177.4938 469 L 4.1677 8.1015 121.0020 57.8380 41.3899 179.7600 470 S 4.2296 8.2214 113.8777 60.5966 62.7338 175.2543 471 E 4.7431 7.7468 120.1579 55.8243 29.7323 175.0788 472 G 4.2396 7.7561 108.0929 44.1921 0.0000 172.6965 473 S 4.6155 8.4119 111.4653 57.7958 63.6074 174.2323 474 N 4.4795 7.8840 119.1975 53.5967 38.8757 174.7220 475 K 4.3318 8.4516 121.5626 56.2688 33.2661 175.5178 476 Y 4.7626 8.1842 123.2089 55.9888 41.9605 173.7413 477 Y 4.4055 7.1460 122.2228 55.6511 40.9588 175.4330 478 C 4.3867 8.2987 118.2209 57.1508 30.5679 174.2542 479 N 4.2881 8.6997 117.3870 56.4399 38.2393 176.7612 480 E 4.0697 8.1096 116.6403 58.5950 29.9429 177.0324 481 H 4.8106 7.8293 113.4107 55.2289 30.2696 176.2979 482 V 3.5783 7.9559 119.6478 64.3016 31.0593 177.0518 483 Q 4.2764 7.7790 116.5608 55.7463 29.1767 175.6036 484 I 3.8072 7.4633 120.4443 60.3152 37.6363 175.7883 485 A 3.7968 8.5829 127.6497 52.9454 18.4432 177.3212 486 R 4.0367 8.1535 122.5304 55.0735 31.5776 176.0408 *487 A 4.1219 8.2861 121.8500 52.3851 18.8699 176.5359 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 410 S 8.19 4.39 0.00 3.67 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 0.00 411 P 0.00 3.61 0.00 2.22 2.26 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.14 0.00 412 E 7.93 4.66 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.79 0.00 413 F 8.32 4.45 0.00 3.07 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 414 G 8.27 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 415 Y 7.54 3.64 0.00 2.19 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 416 W 7.54 5.09 0.00 3.34 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 417 I 7.59 4.18 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.53 0.87 0.00 0.00 418 T 8.10 4.48 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 419 C 8.63 4.32 0.00 3.07 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 0.00 420 C 7.63 4.68 0.00 3.22 3.07 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 0.00 0.00 0.00 0.00 421 P 0.00 4.30 0.00 2.07 2.18 0.00 3.63 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 422 T 7.71 4.49 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 423 C 7.84 3.95 0.00 3.22 3.02 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 0.00 0.00 0.00 424 D 8.62 4.74 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 425 V 7.76 4.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.97 0.00 0.00 426 D 8.77 4.96 0.00 2.77 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 427 I 8.56 2.08 1.06 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.36 0.67 0.00 0.00 428 N 8.80 4.68 0.00 2.75 2.79 0.00 0.00 6.74 7.40 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 0.00 429 T 7.41 4.61 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 1.22 0.00 0.00 430 W 8.41 4.30 0.00 3.66 3.45 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 0.00 431 V 6.51 3.87 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.64 0.00 0.00 432 P 0.00 4.02 0.00 2.13 2.10 0.00 3.33 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.89 0.00 433 F 9.92 4.58 0.00 2.68 2.95 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 0.00 434 Y 8.04 4.37 0.00 3.25 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 0.00 435 S 9.50 4.21 0.00 3.93 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 436 T 7.92 4.31 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 1.22 0.00 0.00 437 E 7.90 4.71 0.00 2.40 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.59 0.00 438 L 8.16 4.71 0.00 1.59 1.60 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 439 N 8.20 5.37 0.00 2.75 2.89 0.00 0.00 6.64 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 440 K 7.54 3.74 0.00 1.15 0.74 0.00 1.14 0.00 0.00 0.61 0.00 0.00 2.86 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.67 1.03 7.81 441 P 0.00 4.57 0.00 2.02 1.27 0.00 2.48 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.86 0.00 442 A 10.08 4.36 1.36 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 0.00 0.00 443 M 8.48 5.33 0.00 2.00 1.73 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 444 I 8.81 4.76 1.66 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.32 0.51 0.00 0.00 445 Y 8.19 3.95 0.00 1.52 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 446 C 8.00 4.66 0.00 2.79 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 447 S 8.08 4.19 0.00 2.88 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 448 H 8.05 4.34 0.00 3.34 3.14 0.00 6.01 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 449 G 7.80 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 450 D 8.82 4.50 0.00 2.67 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 0.00 451 G 10.01 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 452 H 6.83 4.71 0.00 3.23 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 453 W 8.81 5.12 0.00 3.06 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 454 V 8.51 4.59 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 0.77 0.00 0.00 1.09 0.00 0.00 455 H 8.64 4.81 0.00 3.34 3.31 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 456 A 8.88 4.01 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 457 Q 8.37 4.26 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 2.10 1.57 0.00 458 C 7.94 4.36 0.00 3.20 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 0.00 459 M 8.02 4.55 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 3.00 0.00 460 D 8.02 4.41 0.00 2.89 2.80 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 0.00 0.00 0.00 461 L 7.44 4.36 0.00 1.86 1.65 0.56 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 462 E 8.72 4.41 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 463 E 8.97 3.98 0.00 2.27 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 2.39 2.41 0.00 464 R 7.98 3.80 0.00 1.91 2.13 0.00 3.06 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 465 T 7.76 3.79 4.37 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 1.25 0.00 0.00 466 L 7.79 3.78 0.00 1.52 1.58 0.70 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 467 I 7.83 3.74 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.97 0.00 0.00 468 H 8.13 4.41 0.00 3.23 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 469 L 8.10 4.17 0.00 1.80 1.67 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 470 S 8.22 4.23 0.00 4.04 4.18 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 0.00 0.00 0.00 0.00 471 E 7.75 4.74 0.00 2.11 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 2.29 2.59 0.00 472 G 7.76 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 0.00 0.00 0.00 0.00 473 S 8.41 4.62 0.00 3.98 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 0.00 474 N 7.88 4.48 0.00 2.77 2.85 0.00 0.00 7.04 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 475 K 8.45 4.33 0.00 1.69 1.46 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.45 7.81 476 Y 8.18 4.76 0.00 2.90 2.81 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 0.00 0.00 0.00 0.00 477 Y 7.15 4.41 0.00 2.60 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 478 C 8.30 4.39 0.00 3.16 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 479 N 8.70 4.29 0.00 2.76 2.95 0.00 0.00 6.95 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 480 E 8.11 4.07 0.00 1.73 1.76 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 2.25 2.28 0.00 481 H 7.83 4.81 0.00 3.16 3.07 0.00 5.65 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 482 V 7.96 3.58 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 0.68 0.00 0.00 0.87 0.00 0.00 483 Q 7.78 4.28 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 484 I 7.46 3.81 1.92 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 1.19 0.41 0.90 0.00 0.00 485 A 8.58 3.80 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 486 R 8.15 4.04 0.00 1.60 1.76 0.00 2.68 0.00 0.00 2.82 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 *487 A 8.29 4.12 1.24 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.