NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 580 L 5.1973 8.0848 120.3962 54.8235 42.1206 175.8554 581 E 4.1804 8.3629 122.5587 55.6642 31.2476 173.9898 582 K 5.1880 8.4713 121.1534 54.7850 36.1264 175.1650 583 F 5.0566 8.7627 118.7570 55.9613 41.9520 172.6176 584 N 5.3349 8.9012 115.5938 51.4404 41.8046 174.6587 585 V 4.4691 8.1691 119.8254 61.4489 34.6807 173.7412 586 D 5.3661 8.7314 127.3595 51.4289 44.0285 173.6512 587 L 4.1907 8.6768 126.5442 55.2418 47.9689 177.2697 *589 K 4.2829 8.7737 118.1287 56.0738 32.8562 173.6190 590 K 4.5973 9.3058 126.7527 54.1184 34.0196 175.8852 591 A 4.1517 8.5551 125.7474 53.8201 18.6434 178.0660 592 G 3.8366 8.9518 109.3187 45.6033 0.0000 173.6732 593 K 4.3896 7.7715 121.2147 53.7264 32.2628 175.4666 594 E 4.3191 8.3912 123.8304 55.6489 30.3388 178.4877 595 L 4.1618 8.5857 120.2991 56.2407 41.9729 177.9352 596 G 3.8809 7.8732 106.7207 46.5094 0.0000 172.4476 597 L 5.0903 8.0152 119.4978 52.7034 43.5732 176.4377 598 S 4.5841 9.2617 121.6159 57.8756 64.1774 173.7259 599 L 5.3657 8.5889 123.3129 53.2497 45.0861 175.8463 600 S 4.5768 8.8134 115.2933 56.1105 67.4334 172.2620 601 P 4.7401 0.0000 0.0000 63.2601 31.7874 175.2048 602 N 5.0017 8.7868 119.6593 51.7481 42.4145 174.9207 603 E 3.9396 8.9811 123.6371 58.7565 29.7897 177.7613 604 I 4.7823 9.0545 109.1605 57.9778 38.6946 176.3932 605 G 3.8909 6.2451 109.1027 46.4098 0.0000 172.3215 606 C 5.2458 8.4981 122.1724 58.1131 30.9838 174.0676 607 T 4.5280 8.7907 121.4744 63.4436 69.7827 174.4088 608 I 4.3933 8.7451 126.7927 60.8397 37.0840 176.5200 609 A 4.0595 9.0866 131.2410 54.5909 19.1835 176.3946 610 D 4.5699 7.8205 112.7546 54.1673 44.6586 174.7324 611 L 5.1632 8.3809 120.6148 54.4959 43.4969 175.0632 612 I 4.2731 8.5837 123.4074 60.2776 37.5835 176.2424 613 Q 4.3481 8.1315 125.7710 56.3965 29.3061 177.3903 614 G 3.9096 9.2208 107.8197 45.9046 0.0000 174.9172 615 Q 3.9252 7.6203 120.7146 58.4022 29.4067 175.8334 616 Y 4.6101 7.6870 115.6400 54.5911 41.6089 174.2377 617 P 4.2860 0.0000 0.0000 66.0475 30.8530 178.3203 618 E 4.0950 8.3030 117.9688 58.9262 29.4806 179.0842 619 I 3.8179 8.1343 120.4154 64.5448 37.1754 177.9443 620 D 4.4571 8.2426 119.1360 57.6080 40.3676 178.8015 621 S 4.1907 7.9829 112.4022 60.0024 62.3976 174.2685 622 K 4.2874 7.3473 117.9685 57.7230 34.1038 176.9663 623 L 4.6217 7.7020 117.3916 55.0687 42.3351 176.5002 624 Q 4.6321 9.6376 118.6649 54.3870 31.6382 173.9166 625 R 4.2010 8.5213 119.2850 58.6611 30.3362 175.7833 626 G 4.1120 8.9670 112.7145 45.5126 0.0000 173.7870 627 D 4.6689 8.0363 118.8726 54.6245 42.5097 175.8068 628 I 4.8263 8.5647 121.2066 59.5839 40.3705 175.0426 629 I 4.4904 8.9505 130.0386 61.4022 37.5629 176.7551 630 T 4.5091 8.9341 117.8828 62.0983 70.5020 174.7504 631 K 4.8915 7.8569 122.4360 54.9225 35.4032 174.3869 632 F 4.5759 8.9015 127.6890 57.1675 41.3816 174.6625 633 N 3.9223 9.5790 128.5364 54.2831 36.3120 175.7276 634 G 3.9065 8.0334 104.4221 45.5795 0.0000 172.9763 635 D 4.6212 7.9082 120.5762 52.3633 41.3955 175.9095 636 A 4.5532 8.5502 128.0185 52.4707 19.0572 177.2710 637 L 4.1912 8.9039 123.7067 57.0576 42.5391 177.4245 638 E 4.2001 8.0775 120.2911 57.6218 29.8581 177.2836 639 G 4.1058 9.1466 114.7618 45.1116 0.0000 173.2461 640 L 4.5502 7.3698 118.9720 52.8731 43.3732 175.4735 641 P 4.4952 0.0000 0.0000 62.1374 33.2987 177.4527 642 F 4.0460 8.9212 123.0815 61.8071 39.2307 177.4909 643 Q 3.9588 8.2730 116.9635 59.0328 28.4128 179.1568 644 V 3.5589 7.6479 118.5475 66.1088 31.7197 177.6119 645 C 4.0324 7.7467 116.0541 63.0510 27.9657 175.4316 646 Y 3.5364 7.7784 121.0837 60.5652 38.1679 178.1471 647 A 4.0507 8.1861 121.7139 55.0464 18.2358 179.6263 648 L 3.8935 7.8911 117.0627 58.0161 41.6872 179.4825 649 F 3.5120 8.0297 117.7204 59.9944 38.5171 177.7731 650 K 3.9989 7.6986 118.6808 59.1576 32.0712 178.2945 651 G 3.9578 7.9809 103.0764 43.5444 0.0000 173.3415 652 A 4.1347 7.0363 123.7964 52.6179 18.7826 177.5756 653 N 5.0087 8.1993 118.9387 52.0184 41.3200 176.1143 654 G 3.6135 8.5653 108.1633 46.3198 0.0000 174.7846 655 K 3.9425 8.6457 124.2483 56.3177 32.5957 176.0625 656 V 4.2444 8.6280 123.9552 61.0271 34.1940 174.3014 657 S 5.4391 8.6921 121.4707 55.1703 66.9475 172.1020 *659 E 4.3461 8.4560 120.2299 56.1390 30.8346 175.2396 660 V 4.6737 8.6486 124.4646 61.1569 34.7634 174.2279 661 T 5.0587 8.6724 123.2933 61.5786 71.8810 172.9626 662 R 4.8690 8.9380 122.9909 53.3381 32.3701 174.3539 663 P 4.4290 0.0000 0.0000 63.0707 31.3501 176.0071 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 580 L 8.08 5.20 0.00 1.57 1.74 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 581 E 8.36 4.18 0.00 2.17 2.03 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 2.44 2.46 0.00 582 K 8.47 5.19 0.00 1.61 1.66 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.42 7.81 583 F 8.76 5.06 0.00 3.12 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 584 N 8.90 5.33 0.00 2.60 2.72 0.00 0.00 6.58 7.68 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 V 8.17 4.47 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 1.06 0.00 0.00 1.12 0.00 0.00 586 D 8.73 5.37 0.00 2.52 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 587 L 8.68 4.19 0.00 1.66 0.99 0.42 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 *589 K 8.77 4.28 0.00 1.75 1.96 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.55 1.60 7.81 590 K 9.31 4.60 0.00 1.91 1.71 0.00 1.84 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.46 7.81 591 A 8.56 4.15 1.26 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 0.00 0.00 592 G 8.95 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 0.00 0.00 0.00 593 K 7.77 4.39 0.00 1.66 1.89 0.00 0.82 0.00 0.00 0.96 0.00 0.00 2.71 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.21 1.17 7.81 594 E 8.39 4.32 0.00 2.23 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 2.42 2.47 0.00 595 L 8.59 4.16 0.00 1.77 1.87 1.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 596 G 7.87 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 0.00 0.00 0.00 597 L 8.02 5.09 0.00 1.56 1.62 1.17 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 598 S 9.26 4.58 0.00 3.93 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 0.00 599 L 8.59 5.37 0.00 1.60 1.55 -0.48 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 600 S 8.81 4.58 0.00 3.72 3.61 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 0.00 0.00 0.00 0.00 601 P 0.00 4.74 0.00 1.84 2.00 0.00 3.36 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 602 N 8.79 5.00 0.00 2.66 2.71 0.00 0.00 6.79 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 0.00 603 E 8.98 3.94 0.00 1.97 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 0.00 2.30 2.31 0.00 604 I 9.05 4.78 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 1.36 1.23 0.92 0.00 0.00 605 G 6.25 3.89 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 0.00 0.00 0.00 606 C 8.50 5.25 0.00 2.79 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 0.00 607 T 8.79 4.53 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 1.27 0.00 0.00 608 I 8.75 4.39 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.96 0.95 0.00 0.00 609 A 9.09 4.06 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 610 D 7.82 4.57 0.00 2.73 2.48 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 0.00 611 L 8.38 5.16 0.00 1.78 1.62 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 612 I 8.58 4.27 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.61 0.93 0.00 0.00 613 Q 8.13 4.35 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.72 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 614 G 9.22 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.62 3.93 0.00 2.13 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.57 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 616 Y 7.69 4.61 0.00 3.10 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 0.00 617 P 0.00 4.29 0.00 2.29 2.34 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 618 E 8.30 4.10 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 619 I 8.13 3.82 2.16 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 1.59 1.13 1.01 0.00 0.00 620 D 8.24 4.46 0.00 2.72 2.76 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 0.00 621 S 7.98 4.19 0.00 3.90 4.07 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 0.00 622 K 7.35 4.29 0.00 1.87 1.70 0.00 1.91 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.38 7.81 623 L 7.70 4.62 0.00 1.92 1.72 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 624 Q 9.64 4.63 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.88 0.00 0.00 0.00 0.00 0.00 2.66 2.35 0.00 625 R 8.52 4.20 0.00 1.81 1.93 0.00 3.21 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 626 G 8.97 4.11 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 0.00 0.00 0.00 627 D 8.04 4.67 0.00 2.77 2.67 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 0.00 628 I 8.56 4.83 1.98 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 1.24 0.89 0.93 0.00 0.00 629 I 8.95 4.49 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.19 1.14 0.00 0.00 630 T 8.93 4.51 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 1.23 0.00 0.00 631 K 7.86 4.89 0.00 1.68 1.64 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.54 7.81 632 F 8.90 4.58 0.00 2.98 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 633 N 9.58 3.92 0.00 2.55 2.62 0.00 0.00 7.13 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 634 G 8.03 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 635 D 7.91 4.62 0.00 2.90 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 636 A 8.55 4.55 1.26 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 0.00 0.00 637 L 8.90 4.19 0.00 1.79 1.78 1.19 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 638 E 8.08 4.20 0.00 2.17 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 2.39 2.62 0.00 639 G 9.15 4.11 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 0.00 0.00 0.00 640 L 7.37 4.55 0.00 1.78 1.61 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 641 P 0.00 4.50 0.00 2.19 2.00 0.00 3.63 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 2.12 2.15 0.00 642 F 8.92 4.05 0.00 3.14 3.09 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 0.00 0.00 0.00 643 Q 8.27 3.96 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 644 V 7.65 3.56 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 1.16 0.00 0.00 0.94 0.00 0.00 645 C 7.75 4.03 0.00 2.83 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 0.00 646 Y 7.78 3.54 0.00 2.33 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 0.00 647 A 8.19 4.05 1.42 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 0.00 0.00 0.00 0.00 0.00 648 L 7.89 3.89 0.00 1.79 1.36 0.94 0.88 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 0.00 649 F 8.03 3.51 0.00 2.78 2.82 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 0.00 650 K 7.70 4.00 0.00 1.45 1.84 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.39 7.81 651 G 7.98 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 0.00 652 A 7.04 4.13 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 653 N 8.20 5.01 0.00 2.77 2.74 0.00 0.00 6.17 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 654 G 8.57 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 655 K 8.65 3.94 0.00 1.67 1.67 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.38 7.81 656 V 8.63 4.24 1.83 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 0.58 0.00 0.00 0.81 0.00 0.00 657 S 8.69 5.44 0.00 3.71 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 *659 E 8.46 4.35 0.00 1.94 1.84 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 2.24 2.27 0.00 660 V 8.65 4.67 0.67 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 0.85 0.00 0.00 0.69 0.00 0.00 661 T 8.67 5.06 4.21 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 1.22 0.00 0.00 662 R 8.94 4.87 0.00 2.12 2.25 0.00 2.86 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 663 P 0.00 4.43 0.00 2.08 2.05 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.