NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 537 R 4.3298 8.1014 120.8818 55.9293 31.1532 176.0284 538 G 3.6040 8.5555 110.1891 45.6469 0.0000 173.5676 539 S 4.3506 8.8648 116.2866 61.4444 64.5722 174.7718 540 H 4.2252 8.4292 115.1858 56.7502 27.9021 176.7443 *542 L 4.4289 7.8327 121.9245 55.0973 43.2724 177.7966 543 E 3.9642 8.3933 118.4019 60.1873 29.2750 179.1764 544 S 4.3644 9.4123 114.6111 62.2041 62.8958 175.9936 545 Y 4.2336 8.2194 121.3659 61.1301 38.5697 177.8356 546 A 4.3236 8.5956 121.2914 55.5481 18.3391 179.0870 547 F 4.5908 9.0863 119.5477 61.4982 39.0479 176.8378 548 N 3.9964 8.7615 115.6752 53.5869 37.3765 176.8952 *550 K 4.2284 8.0946 123.8642 56.0688 34.1694 177.2241 551 A 4.3158 7.3011 119.9431 54.1498 19.2944 178.3874 552 T 4.1999 8.8270 108.6166 62.7464 66.9797 174.8355 553 V 4.4263 7.4644 116.3918 61.4003 32.6271 175.5007 554 E 4.4445 6.9442 115.7456 57.1943 30.6425 178.0540 555 D 3.7502 7.1471 114.2616 53.9504 44.0933 179.1064 556 E 4.5170 7.1456 122.5299 56.4743 33.6211 177.2324 557 K 4.2590 8.3490 112.7370 56.5060 31.2966 177.5503 558 L 4.3970 7.7525 116.8842 55.4415 42.0208 177.7635 559 Q 5.1209 7.1327 113.6785 55.3520 28.3716 178.6070 560 G 3.6275 9.3992 110.1820 47.8306 0.0000 174.9130 561 K 4.0951 7.8313 120.7345 56.3946 32.7888 176.6047 562 I 4.1803 8.6337 118.6828 63.9315 37.1947 177.6016 563 N 4.0225 8.1648 120.0131 54.1583 37.1328 173.4837 564 D 4.5963 8.9420 122.8880 55.3302 47.3800 175.8905 565 E 4.4771 7.7721 116.1025 57.8789 31.7914 179.3138 566 D 4.7799 7.8872 116.6954 53.6000 40.7909 176.6393 567 K 4.5461 10.1006 117.4300 56.3951 37.3980 177.6468 568 Q 3.9649 8.2786 119.1004 59.3563 29.1016 178.5443 569 K 4.0199 8.0866 118.1408 58.7255 31.8868 178.4019 570 I 4.1787 7.8670 119.6312 62.2144 37.2241 177.4714 571 L 4.0517 7.9687 122.2432 57.8480 42.2544 177.6744 572 D 4.3923 8.1066 118.1543 57.5959 40.7453 178.6005 573 K 3.8006 7.7356 118.0608 59.9584 32.1635 178.1611 574 C 3.9376 7.6093 116.3245 63.4749 28.1790 176.4515 575 N 4.3967 8.5947 117.8393 56.0025 38.0957 176.8948 576 E 3.9691 8.7000 121.3179 59.5821 29.6055 179.2402 577 I 3.7851 8.0631 119.4550 64.4932 37.0284 178.1203 578 I 3.7644 7.6822 119.5570 65.4585 37.2132 177.6186 579 S 4.2554 9.1838 114.4485 59.8555 61.9722 175.8996 580 W 4.2701 8.7714 130.6503 60.6661 30.8245 178.0283 581 L 4.1082 8.9625 119.4728 58.0725 41.0300 178.4572 582 D 4.2394 8.4584 117.6138 57.7887 39.9451 178.6143 583 K 3.5949 7.4260 120.8891 59.3371 31.9769 177.8811 584 N 4.2015 7.6329 116.8494 55.6702 38.9290 176.7100 585 Q 3.8817 7.9371 120.0085 59.3644 28.8763 178.5003 586 T 4.0008 7.6998 103.5193 62.5425 69.1484 175.1898 587 A 4.2438 7.1526 122.5214 54.4788 19.6253 179.4152 588 E 3.4349 8.6013 117.3617 60.2362 29.5175 179.2108 589 K 3.8803 8.1484 118.0598 59.6144 32.2578 177.4411 590 E 3.8638 8.0601 117.7343 60.0341 29.6014 179.2053 591 E 3.6478 7.7386 117.8187 59.8079 29.4122 179.8715 592 F 4.5754 7.9551 117.4552 60.8989 38.9096 177.4593 593 E 3.7441 8.1672 117.0394 60.4364 29.4620 178.3248 594 H 4.1799 9.1344 119.5013 58.7000 29.8517 176.8553 595 Q 4.0511 9.0178 119.7131 59.4604 28.9884 179.3549 596 Q 4.0198 9.0413 120.9397 59.0236 28.8844 178.6811 597 K 3.9806 8.3686 120.0462 59.4482 32.0309 178.6340 598 E 3.8159 8.1573 117.9251 59.6821 29.7058 178.4046 599 L 4.1277 8.0829 119.9956 57.7925 41.9715 178.8205 600 E 3.9873 7.7219 118.1161 59.2072 29.2923 179.0940 601 K 3.5347 8.0913 117.2080 58.4325 32.2417 178.0742 602 V 4.2920 7.3308 115.7336 62.7193 32.4404 175.4739 603 C 4.6454 8.8225 115.6956 62.0072 29.9507 175.2842 604 N 4.2563 8.2079 117.7492 56.2041 38.1526 175.1294 605 P 4.2542 0.0000 0.0000 66.2623 31.2181 178.3529 606 I 3.7940 7.5766 119.0917 63.9105 37.2490 178.0689 607 I 3.8460 8.1440 113.7938 63.5602 37.2654 178.5067 608 T 4.0585 7.8909 117.6029 66.6192 68.4768 176.6218 609 K 4.0818 7.7629 119.1715 59.1154 32.0239 179.0083 610 L 4.0549 7.4399 119.7209 57.9791 42.9815 179.0783 611 Y 4.7028 7.6391 116.1581 56.8102 35.8670 176.8285 612 Q 4.6899 7.6028 111.5077 55.0809 30.7516 175.9328 613 S 4.5679 8.2392 111.2740 58.9319 69.2760 174.7543 614 A 4.6799 7.9552 123.7071 50.7631 18.2330 175.4993 615 G 4.1402 7.7022 110.8086 43.7617 0.0000 172.7134 616 G 3.9354 8.3646 106.6422 44.7131 0.0000 171.5959 *618 P 4.1695 0.0000 0.0000 62.8122 31.5946 176.2868 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 537 R 8.10 4.33 0.00 1.92 1.91 0.00 3.19 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 538 G 8.56 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 539 S 8.86 4.35 0.00 4.08 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 0.00 540 H 8.43 4.23 0.00 3.59 3.39 0.00 5.65 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *542 L 7.83 4.43 0.00 1.79 1.98 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 543 E 8.39 3.96 0.00 2.11 2.20 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 2.39 2.45 0.00 544 S 9.41 4.36 0.00 3.98 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 0.00 545 Y 8.22 4.23 0.00 3.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 546 A 8.60 4.32 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.09 4.59 0.00 3.03 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.76 4.00 0.00 2.44 2.56 0.00 0.00 6.65 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *550 K 8.09 4.23 0.00 2.01 2.05 0.00 1.95 0.00 0.00 1.93 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.48 7.81 551 A 7.30 4.32 1.20 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 0.00 0.00 552 T 8.83 4.20 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 553 V 7.46 4.43 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.91 0.00 0.00 554 E 6.94 4.44 0.00 2.04 1.99 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 2.23 2.20 0.00 555 D 7.15 3.75 0.00 2.59 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 0.00 556 E 7.15 4.52 0.00 2.04 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 557 K 8.35 4.26 0.00 1.81 1.78 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.57 7.81 558 L 7.75 4.40 0.00 1.70 1.57 0.89 0.74 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 0.00 559 Q 7.13 5.12 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.28 0.00 560 G 9.40 3.63 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 0.00 0.00 0.00 561 K 7.83 4.10 0.00 1.83 1.97 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.62 7.81 562 I 8.63 4.18 1.87 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 1.34 1.08 0.91 0.00 0.00 563 N 8.16 4.02 0.00 2.94 2.69 0.00 0.00 7.05 8.83 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 0.00 564 D 8.94 4.60 0.00 2.74 2.62 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 0.00 565 E 7.77 4.48 0.00 1.95 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 2.26 2.25 0.00 566 D 7.89 4.78 0.00 2.65 2.64 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 0.00 567 K 10.10 4.55 0.00 1.73 1.68 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.51 7.81 568 Q 8.28 3.96 0.00 2.37 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 569 K 8.09 4.02 0.00 1.84 1.85 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.67 7.81 570 I 7.87 4.18 2.05 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 1.41 0.77 0.92 0.00 0.00 571 L 7.97 4.05 0.00 1.87 1.83 0.98 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 572 D 8.11 4.39 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 573 K 7.74 3.80 0.00 1.94 1.83 0.00 1.54 0.00 0.00 1.60 0.00 0.00 3.18 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.53 7.81 574 C 7.61 3.94 0.00 3.49 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 0.00 575 N 8.59 4.40 0.00 2.87 2.91 0.00 0.00 6.72 7.88 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 0.00 576 E 8.70 3.97 0.00 2.13 2.11 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 2.37 2.41 0.00 577 I 8.06 3.79 2.10 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.09 1.00 0.00 0.00 578 I 7.68 3.76 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.71 0.96 0.00 0.00 579 S 9.18 4.26 0.00 3.89 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 580 W 8.77 4.27 0.00 3.51 3.26 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 0.00 581 L 8.96 4.11 0.00 2.20 1.76 1.05 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 582 D 8.46 4.24 0.00 2.75 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 0.00 583 K 7.43 3.59 0.00 1.82 1.56 0.00 1.49 0.00 0.00 1.53 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.41 7.81 584 N 7.63 4.20 0.00 1.70 2.36 0.00 0.00 7.02 6.68 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 0.00 585 Q 7.94 3.88 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.70 0.00 0.00 0.00 0.00 0.00 2.58 2.39 0.00 586 T 7.70 4.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 587 A 7.15 4.24 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 588 E 8.60 3.43 0.00 1.80 1.22 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 2.21 2.29 0.00 589 K 8.15 3.88 0.00 1.88 1.64 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.56 7.81 590 E 8.06 3.86 0.00 2.09 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 2.37 2.55 0.00 591 E 7.74 3.65 0.00 1.81 1.96 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 2.22 2.46 0.00 592 F 7.96 4.58 0.00 3.31 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 0.00 593 E 8.17 3.74 0.00 2.12 2.07 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 2.41 2.56 0.00 594 H 9.13 4.18 0.00 3.28 3.41 0.00 5.81 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 0.00 595 Q 9.02 4.05 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.72 2.67 0.00 596 Q 9.04 4.02 0.00 2.16 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 597 K 8.37 3.98 0.00 1.94 1.79 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.69 7.81 598 E 8.16 3.82 0.00 1.84 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 599 L 8.08 4.13 0.00 1.90 1.64 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 600 E 7.72 3.99 0.00 2.31 2.14 0.00 0.00 0.00 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 2.63 0.00 601 K 8.09 3.53 0.00 1.90 1.89 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 602 V 7.33 4.29 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 0.87 0.00 0.00 0.93 0.00 0.00 603 C 8.82 4.65 0.00 2.85 2.90 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 0.00 604 N 8.21 4.26 0.00 2.84 2.92 0.00 0.00 6.82 8.03 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 0.00 605 P 0.00 4.25 0.00 2.26 2.33 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 606 I 7.58 3.79 1.96 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 1.69 1.37 0.89 0.00 0.00 607 I 8.14 3.85 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.77 0.89 0.00 0.00 608 T 7.89 4.06 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 609 K 7.76 4.08 0.00 1.95 1.88 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.65 7.81 610 L 7.44 4.05 0.00 1.55 1.68 0.82 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 611 Y 7.64 4.70 0.00 3.25 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 0.00 612 Q 7.60 4.69 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.58 0.00 613 S 8.24 4.57 0.00 3.81 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 0.00 614 A 7.96 4.68 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 615 G 7.70 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 616 G 8.36 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 *618 P 0.00 4.17 0.00 2.23 2.10 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.99 0.00 * Residues marked with a * may have inaccurate shift predictions.