NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 601 M 4.4344 8.1627 120.6049 55.4565 34.2347 173.5521 602 Q 5.4968 8.6079 125.4538 51.7315 32.3024 172.4929 603 I 4.6212 8.5444 118.7604 59.2815 42.3984 172.9852 604 F 5.4148 8.7863 120.3885 55.6748 42.6976 174.8990 605 V 4.9036 9.0745 121.2851 61.3114 34.2867 174.3106 606 K 5.2395 9.2532 127.9962 54.8547 34.9316 176.3094 607 T 4.7809 8.5735 114.2763 59.8161 71.0627 174.7824 608 L 4.5050 8.3693 119.9064 55.2273 41.4040 177.6164 609 T 4.4605 7.8957 106.8397 61.2387 69.0938 174.3094 610 G 4.0327 8.3642 111.1430 45.4216 0.0000 174.3576 611 K 4.2156 7.7568 120.9783 56.8314 33.4107 176.0518 612 T 5.2348 8.4320 122.2755 61.7363 72.1513 173.1575 613 I 4.6944 8.9535 119.3463 59.4794 40.7168 174.7364 614 T 5.0287 8.5336 120.6839 62.6070 70.7421 174.0119 615 L 4.6856 8.3289 122.5518 53.4135 46.7378 174.8672 616 E 4.9641 8.6786 122.3342 55.5167 30.4671 175.8519 617 V 4.6654 9.1268 117.8116 60.1621 36.6855 173.9675 618 E 4.7831 10.3027 121.2520 53.9675 32.3214 176.2973 619 P 4.4789 0.0000 0.0000 65.3995 31.6294 178.6107 620 S 4.3482 7.8865 112.5512 59.9779 63.4210 174.3647 621 D 4.4523 8.4550 122.1360 54.4064 41.2981 175.9674 622 T 4.8681 8.0563 113.0953 60.2443 72.1444 175.9637 623 I 3.7209 8.4718 122.9787 64.6284 37.1214 178.6158 624 E 3.9624 7.9405 117.8820 59.5965 29.3719 179.0195 625 N 4.3517 8.0604 117.2934 56.0463 38.5945 177.5902 626 V 3.6085 7.8381 119.7455 65.8345 31.5286 178.2751 627 K 4.5813 8.6781 119.7759 58.9262 31.8810 179.1478 628 A 3.9832 8.1307 121.0761 55.1051 18.3161 179.8806 629 K 3.9648 7.9186 116.8058 59.6748 32.0952 179.7286 630 I 3.7720 7.8478 120.1814 64.1998 36.9752 178.2602 631 Q 4.2106 8.2189 122.1864 58.6979 28.6577 177.8039 632 D 4.3247 7.9197 118.1801 56.8939 41.3017 177.7608 633 K 4.2301 7.8533 117.6274 58.3586 32.7427 178.1582 634 E 4.4433 8.8321 116.6539 55.8465 30.2559 177.4041 635 G 3.9344 8.0701 106.6436 45.0880 0.0000 173.5282 636 I 3.9347 7.3942 121.7083 59.9074 37.9020 173.6844 637 P 4.3411 0.0000 0.0000 62.0446 31.9982 174.9928 638 P 4.2134 0.0000 0.0000 65.8493 31.3979 178.0755 639 D 4.4616 8.1446 115.8973 55.3361 39.4674 177.5359 640 Q 3.8647 8.4752 119.3271 57.2468 29.8050 175.5540 641 Q 4.4968 8.0926 118.2321 55.6332 30.5430 175.8507 642 R 4.4174 8.5922 120.6640 54.5259 33.6898 174.2612 643 L 4.8070 8.4401 124.5617 54.3201 43.4270 176.1921 644 I 5.0686 9.0098 123.3673 59.6026 41.1838 174.4396 645 F 4.9636 8.9032 127.4941 57.2701 43.0222 174.2658 646 A 3.3147 8.7254 127.2821 53.1361 15.7452 178.1602 647 G 3.9122 8.5549 105.0915 46.8020 0.0000 173.8988 648 K 4.6428 7.6515 117.5846 54.2557 35.7699 175.0029 649 Q 4.5439 8.4547 121.3566 56.0503 29.4249 175.5006 650 L 4.1125 8.5462 127.1382 54.5339 42.9744 176.2319 651 E 4.4977 9.3705 122.6130 55.2563 30.8640 176.6189 652 D 4.4125 9.2731 124.6600 57.8754 41.0056 179.7161 653 G 3.7139 8.0067 105.4114 47.6571 0.0000 173.9676 654 R 4.1408 7.8655 119.8254 55.9491 31.0096 176.2278 655 T 4.7901 8.5678 111.4808 60.5683 70.6436 175.9338 656 L 4.0277 8.8986 123.7608 58.2156 41.5993 180.2050 657 S 4.1766 7.9095 113.5433 61.5010 62.4868 176.2029 658 D 4.4043 7.7153 121.4066 56.6022 40.5106 177.2676 659 Y 4.7124 7.8180 115.3565 56.6820 37.9553 175.4770 660 N 4.4531 8.3409 116.7334 54.3134 38.1738 173.9970 661 I 3.5796 7.1839 117.1065 60.7804 37.6886 175.4116 662 Q 4.6250 8.8690 124.6613 54.2214 31.1877 174.0466 663 K 4.1320 8.6312 116.4490 58.8999 32.2790 176.7223 664 E 3.9823 9.2050 121.6609 56.8834 28.0549 174.9015 665 S 4.5901 7.9702 115.7167 59.0689 64.2830 173.1655 666 T 5.2954 8.7131 118.1209 61.9587 70.9218 173.5986 667 L 5.1504 9.1651 125.9286 53.3651 45.4381 175.0090 668 H 5.3125 9.1846 119.2952 54.2408 30.9246 173.4652 669 L 5.0310 9.1764 125.1738 53.4984 44.4765 175.2907 670 V 4.7222 8.6031 125.3234 61.1564 34.5369 174.8461 671 L 4.7039 8.6537 127.6347 54.8692 42.7783 177.5335 672 R 4.6195 8.6565 120.5073 55.3310 30.4913 174.9593 673 L 4.5325 8.0134 117.9024 54.6268 42.0350 178.0619 674 R 4.3044 7.8878 115.1769 57.0700 30.1144 177.2024 675 G 4.0316 7.8281 104.0522 45.8153 0.0000 172.7312 676 G 4.2217 7.7376 111.4663 45.9464 0.0000 173.3179 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 601 M 8.16 4.43 0.00 2.25 1.95 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 602 Q 8.61 5.50 0.00 2.06 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.60 0.00 0.00 0.00 0.00 0.00 1.86 1.67 0.00 603 I 8.54 4.62 1.75 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.56 0.83 0.00 0.00 604 F 8.79 5.41 0.00 3.06 2.94 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 0.00 605 V 9.07 4.90 2.10 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 1.13 0.00 0.00 0.93 0.00 0.00 606 K 9.25 5.24 0.00 1.55 1.67 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.33 7.81 607 T 8.57 4.78 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 1.23 0.00 0.00 608 L 8.37 4.51 0.00 1.66 1.72 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 609 T 7.90 4.46 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 0.00 610 G 8.36 4.03 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 0.00 0.00 0.00 611 K 7.76 4.22 0.00 1.85 1.70 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.45 1.43 7.81 612 T 8.43 5.23 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 1.27 0.00 0.00 613 I 8.95 4.69 1.89 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 1.44 1.35 0.93 0.00 0.00 614 T 8.53 5.03 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 1.06 0.00 0.00 615 L 8.33 4.69 0.00 1.47 1.43 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 616 E 8.68 4.96 0.00 1.79 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 2.34 0.00 617 V 9.13 4.67 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 0.60 0.00 0.00 0.89 0.00 0.00 618 E 10.30 4.78 0.00 1.65 1.78 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 2.19 2.37 0.00 619 P 0.00 4.48 0.00 2.15 2.08 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 620 S 7.89 4.35 0.00 3.84 3.90 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 0.00 621 D 8.46 4.45 0.00 2.83 2.57 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 0.00 622 T 8.06 4.87 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 623 I 8.47 3.72 2.14 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.18 0.92 0.00 0.00 624 E 7.94 3.96 0.00 2.20 2.22 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 2.54 2.36 0.00 625 N 8.06 4.35 0.00 3.15 2.89 0.00 0.00 6.61 7.63 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 0.00 626 V 7.84 3.61 2.22 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 1.00 0.00 0.00 0.97 0.00 0.00 627 K 8.68 4.58 0.00 1.97 1.84 0.00 1.74 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.55 7.81 628 A 8.13 3.98 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 629 K 7.92 3.96 0.00 2.04 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.64 7.81 630 I 7.85 3.77 2.15 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 0.87 0.91 0.00 0.00 631 Q 8.22 4.21 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.22 0.00 632 D 7.92 4.32 0.00 2.83 2.86 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 0.00 0.00 0.00 0.00 633 K 7.85 4.23 0.00 1.80 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.62 7.81 634 E 8.83 4.44 0.00 2.02 2.00 0.00 0.00 0.00 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 2.45 0.00 635 G 8.07 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 0.00 0.00 0.00 636 I 7.39 3.93 1.87 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 1.42 0.64 0.91 0.00 0.00 637 P 0.00 4.34 0.00 2.17 1.98 0.00 3.63 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 2.11 2.11 0.00 638 P 0.00 4.21 0.00 2.17 2.13 0.00 3.60 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 639 D 8.14 4.46 0.00 2.82 2.93 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 0.00 640 Q 8.48 3.86 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.03 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 641 Q 8.09 4.50 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 642 R 8.59 4.42 0.00 1.92 1.81 0.00 3.28 0.00 0.00 3.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 643 L 8.44 4.81 0.00 1.58 1.55 0.91 0.75 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 0.00 644 I 9.01 5.07 2.02 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 1.11 0.87 0.99 0.00 0.00 645 F 8.90 4.96 0.00 2.92 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 0.00 646 A 8.73 3.31 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 647 G 8.55 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 0.00 648 K 7.65 4.64 0.00 1.93 1.86 0.00 1.36 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.31 7.81 649 Q 8.45 4.54 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 650 L 8.55 4.11 0.00 1.47 1.39 0.74 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 651 E 9.37 4.50 0.00 2.05 1.92 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 2.33 2.36 0.00 652 D 9.27 4.41 0.00 2.72 2.77 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 0.00 0.00 0.00 0.00 653 G 8.01 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 0.00 654 R 7.87 4.14 0.00 2.21 1.66 0.00 3.13 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 655 T 8.57 4.79 4.44 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 1.18 0.00 0.00 656 L 8.90 4.03 0.00 1.64 1.70 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 657 S 7.91 4.18 0.00 4.00 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 0.00 658 D 7.72 4.40 0.00 2.46 2.32 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 0.00 659 Y 7.82 4.71 0.00 3.10 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 0.00 660 N 8.34 4.45 0.00 2.87 2.99 0.00 0.00 7.10 7.67 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 0.00 661 I 7.18 3.58 1.80 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.13 0.63 0.00 0.00 662 Q 8.87 4.63 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 663 K 8.63 4.13 0.00 1.75 1.80 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.52 7.81 664 E 9.21 3.98 0.00 2.16 2.30 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 2.40 2.76 0.00 665 S 7.97 4.59 0.00 3.78 3.86 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 0.00 0.00 0.00 0.00 666 T 8.71 5.30 4.35 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 1.19 0.00 0.00 667 L 9.17 5.15 0.00 1.54 1.56 0.85 0.69 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 0.00 668 H 9.18 5.31 0.00 3.08 3.21 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 669 L 9.18 5.03 0.00 1.74 1.53 0.93 0.72 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 0.00 670 V 8.60 4.72 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 0.93 0.00 0.00 0.94 0.00 0.00 671 L 8.65 4.70 0.00 1.58 1.58 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 672 R 8.66 4.62 0.00 1.83 1.74 0.00 3.09 0.00 0.00 3.17 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 673 L 8.01 4.53 0.00 1.66 1.67 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 674 R 7.89 4.30 0.00 1.90 2.04 0.00 3.03 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 675 G 7.83 4.03 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 0.00 0.00 0.00 676 G 7.74 4.22 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 0.00