NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 602 S 4.4210 8.1927 115.2897 57.8736 63.6388 173.9718 603 Q 3.6393 9.0558 129.3215 58.0746 28.8347 175.5510 604 W 4.3227 8.4001 113.6924 55.8207 30.6759 175.3159 605 G 4.0728 7.5994 112.0541 45.0464 0.0000 174.7773 606 S 5.0288 7.3953 111.4977 54.9567 67.9906 175.1951 607 G 3.5686 8.3904 107.9099 47.5562 0.0000 175.8919 608 K 2.7473 7.5188 121.3647 58.6264 31.9998 178.4196 609 N 4.2608 7.8353 117.1579 56.6690 39.0261 176.6385 610 L 3.3970 7.5698 121.3713 58.0739 41.9042 178.4162 611 Y 3.9647 7.7420 119.0096 60.8115 38.5836 177.5854 612 D 3.8402 7.9971 118.6132 56.9179 40.9550 178.3320 613 K 4.3017 8.1030 118.2425 58.5525 32.5737 176.9478 614 V 4.1143 7.6786 115.4391 63.4361 33.6107 176.9244 615 C 3.9999 7.6190 114.8535 63.1298 28.5372 176.5401 616 G 3.0143 8.0585 107.6703 47.6921 0.0000 175.1609 617 H 4.2380 7.6094 117.1687 57.9849 28.8897 176.3789 618 C 4.6435 7.8479 117.0862 61.1222 29.9901 175.4270 619 H 4.5366 8.2128 116.1374 57.3387 29.1338 176.2891 620 K 4.1324 8.0149 120.2600 55.7779 32.3335 175.8493 621 P 4.2672 0.0000 0.0000 65.9991 31.0022 177.3827 622 E 4.0363 8.1139 115.5765 58.6809 29.2504 177.3810 623 V 3.6667 7.2510 119.9984 61.2368 32.0251 176.1827 624 G 3.9148 8.1011 107.7568 45.9776 0.0000 174.3891 625 V 3.7261 7.8976 121.4608 64.1897 31.8507 176.1118 626 G 4.1570 7.6331 106.6277 42.2743 0.0000 170.7229 627 P 4.5019 0.0000 0.0000 61.8952 32.0565 176.4588 628 V 3.8068 8.2677 119.5489 63.2419 31.8385 175.7519 629 L 4.5298 8.3497 125.1492 54.7274 43.4124 176.3291 630 E 3.6943 8.2136 118.4099 57.0786 29.2612 176.7249 631 G 3.9079 8.5423 114.7021 46.3139 0.0000 173.8040 632 R 4.3110 8.0789 116.8647 54.7764 31.3964 176.9817 633 G 3.8778 8.0410 105.3310 46.2355 0.0000 173.8167 634 L 4.1077 7.9495 119.5297 53.3416 42.5448 176.2323 635 P 4.3867 0.0000 0.0000 62.6650 33.3136 177.1520 636 E 3.9458 8.7858 120.9708 59.4942 29.3589 179.2040 637 A 4.0716 8.0382 120.1878 54.8463 18.4182 178.8905 638 Y 4.1766 7.8120 117.8960 60.9595 39.2763 177.4626 639 I 3.5410 7.6553 120.3106 64.2701 37.1052 178.6267 640 K 4.0260 8.1359 119.4406 59.4316 31.9301 179.1527 641 D 4.3792 7.6391 117.9130 57.0692 40.7341 178.9610 642 I 3.6129 7.4784 120.5500 64.2260 37.0742 178.6402 643 V 3.7054 7.5605 118.6708 66.1242 31.1706 178.2946 644 R 4.0618 8.0698 116.6718 58.4204 30.0179 177.7504 645 N 4.7065 8.3019 115.0337 51.8256 39.7680 176.6714 646 G 4.0559 8.8268 103.6077 45.7881 0.0000 173.2338 647 F 4.8065 8.3796 120.9291 56.8696 42.3457 177.5475 648 R 3.4836 9.0495 129.8584 56.9998 28.9648 178.2796 649 A 3.9974 8.9447 129.2477 55.4560 19.6011 179.0865 650 M 4.2204 8.0986 117.2303 54.5609 32.8333 174.1287 651 P 4.8600 0.0000 0.0000 62.3715 33.0438 174.7933 652 A 4.8403 8.0467 121.2665 50.4123 20.9452 176.3373 653 F 4.6126 8.6020 119.6344 54.9655 41.3618 174.3048 654 P 4.5775 0.0000 0.0000 61.6733 30.8109 177.1211 655 A 4.3908 8.9617 122.7410 54.9473 17.8610 180.1220 656 S 4.4045 8.1935 111.4976 61.2290 63.0553 175.6055 657 Y 4.6001 7.3970 121.1933 58.4894 39.2477 175.7512 658 V 4.7733 8.2183 124.3555 60.7183 32.9489 174.5601 659 D 4.8022 9.2849 127.4640 52.6381 40.3613 177.2257 660 D 4.4041 8.8490 119.5826 57.8399 40.6414 178.9594 661 E 4.0018 8.1643 119.1160 59.3704 29.7770 178.7964 662 S 4.3474 8.4292 114.7266 61.0031 62.9304 176.5956 663 L 4.0217 7.6376 122.4526 57.8806 41.3554 179.4963 664 T 3.9086 7.7868 115.5042 66.6710 68.4230 176.8060 665 Q 4.0533 7.9587 119.7909 59.0110 28.7963 179.3347 666 V 3.7222 8.0070 119.9781 64.5292 31.4234 178.2720 667 A 3.9632 8.0961 121.4267 55.1968 17.7700 179.5402 668 E 3.9527 8.3143 117.0602 59.6322 29.2561 179.0194 669 Y 4.1084 7.9776 118.9675 60.4668 39.0840 177.5271 670 L 3.7178 7.9368 120.1137 57.5885 41.7754 179.6076 671 S 4.0683 7.7920 115.0077 61.4510 62.6376 176.5364 672 S 4.2072 7.4203 113.6909 59.1504 62.9401 174.1896 673 L 4.3783 6.5022 122.7809 52.6281 43.0681 174.9358 674 P 4.3661 0.0000 0.0000 63.1573 31.4575 176.2143 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 602 S 8.19 4.42 0.00 3.89 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 0.00 603 Q 9.06 3.64 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.70 0.00 0.00 0.00 0.00 0.00 1.88 2.29 0.00 604 W 8.40 4.32 0.00 3.29 3.23 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 0.00 605 G 7.60 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 0.00 0.00 0.00 606 S 7.40 5.03 0.00 3.97 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 0.00 607 G 8.39 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 608 K 7.52 2.75 0.00 0.99 1.49 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.02 7.81 609 N 7.84 4.26 0.00 2.89 3.15 0.00 0.00 6.75 7.74 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 0.00 610 L 7.57 3.40 0.00 1.53 1.63 -0.48 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 611 Y 7.74 3.96 0.00 3.20 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 0.00 612 D 8.00 3.84 0.00 2.85 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 0.00 613 K 8.10 4.30 0.00 1.79 2.11 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.20 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.84 1.88 7.81 614 V 7.68 4.11 1.59 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 0.42 0.00 0.00 0.40 0.00 0.00 615 C 7.62 4.00 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 3.01 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 0.00 0.00 0.00 0.00 0.00 0.00 617 H 7.61 4.24 0.00 3.22 3.34 0.00 5.62 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 618 C 7.85 4.64 0.00 2.83 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 0.00 619 H 8.21 4.54 0.00 3.34 3.50 0.00 5.67 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 0.00 620 K 8.01 4.13 0.00 1.91 1.99 0.00 1.57 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.21 7.81 621 P 0.00 4.27 0.00 2.20 2.26 0.00 3.94 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 622 E 8.11 4.04 0.00 2.11 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 2.28 2.25 0.00 623 V 7.25 3.67 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 0.81 0.00 0.00 0.98 0.00 0.00 624 G 8.10 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 0.00 625 V 7.90 3.73 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 0.78 0.00 0.00 0.92 0.00 0.00 626 G 7.63 4.16 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 0.00 627 P 0.00 4.50 0.00 2.27 2.14 0.00 3.92 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 2.13 2.08 0.00 628 V 8.27 3.81 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 0.87 0.00 0.00 0.97 0.00 0.00 629 L 8.35 4.53 0.00 1.62 1.62 0.77 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 630 E 8.21 3.69 0.00 1.91 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 2.04 2.29 0.00 631 G 8.54 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 0.00 632 R 8.08 4.31 0.00 1.77 1.94 0.00 3.34 0.00 0.00 3.51 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 633 G 8.04 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 0.00 634 L 7.95 4.11 0.00 1.69 1.78 0.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 635 P 0.00 4.39 0.00 2.21 1.99 0.00 3.57 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 636 E 8.79 3.95 0.00 2.04 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 2.39 2.39 0.00 637 A 8.04 4.07 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 0.00 638 Y 7.81 4.18 0.00 3.01 3.14 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 0.00 639 I 7.66 3.54 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.00 0.86 0.00 0.00 640 K 8.14 4.03 0.00 1.81 1.85 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.67 7.81 641 D 7.64 4.38 0.00 2.68 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 0.00 642 I 7.48 3.61 1.54 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.07 0.86 0.00 0.00 643 V 7.56 3.71 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 1.11 0.00 0.00 0.95 0.00 0.00 644 R 8.07 4.06 0.00 1.91 1.99 0.00 3.40 0.00 0.00 3.44 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 645 N 8.30 4.71 0.00 2.85 2.89 0.00 0.00 7.12 6.93 0.00 0.00 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 G 8.83 4.06 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 0.00 0.00 0.00 647 F 8.38 4.81 0.00 3.04 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 0.00 648 R 9.05 3.48 0.00 1.38 1.23 0.00 3.01 0.00 0.00 2.92 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.50 0.00 649 A 8.94 4.00 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 0.00 0.00 0.00 0.00 0.00 650 M 8.10 4.22 0.00 2.33 2.03 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.57 0.00 651 P 0.00 4.86 0.00 1.61 1.84 0.00 3.80 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 1.78 1.82 0.00 652 A 8.05 4.84 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 0.00 653 F 8.60 4.61 0.00 2.84 2.91 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 0.00 654 P 0.00 4.58 0.00 2.31 2.05 0.00 3.80 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 655 A 8.96 4.39 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 656 S 8.19 4.40 0.00 4.08 4.08 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 0.00 0.00 0.00 657 Y 7.40 4.60 0.00 3.22 3.33 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 0.00 658 V 8.22 4.77 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 0.85 0.00 0.00 0.70 0.00 0.00 659 D 9.28 4.80 0.00 3.02 2.99 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 0.00 660 D 8.85 4.40 0.00 2.74 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 0.00 661 E 8.16 4.00 0.00 2.07 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 2.41 2.43 0.00 662 S 8.43 4.35 0.00 4.23 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 0.00 663 L 7.64 4.02 0.00 1.98 1.74 0.86 0.64 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 0.00 664 T 7.79 3.91 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 665 Q 7.96 4.05 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 666 V 8.01 3.72 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 0.83 0.00 0.00 1.04 0.00 0.00 667 A 8.10 3.96 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 0.00 668 E 8.31 3.95 0.00 2.22 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 0.00 2.33 2.41 0.00 669 Y 7.98 4.11 0.00 2.91 3.08 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 0.00 0.00 0.00 670 L 7.94 3.72 0.00 1.97 1.55 0.33 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 671 S 7.79 4.07 0.00 3.80 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 0.00 672 S 7.42 4.21 0.00 3.98 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 673 L 6.50 4.38 0.00 1.58 1.40 0.53 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 674 P 0.00 4.37 0.00 2.14 1.99 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00