NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 602 S 4.4502 8.3344 115.4145 58.3730 63.8478 174.0889 603 Q 3.7437 8.9348 118.2868 57.8034 29.0902 175.8324 604 W 4.4151 8.4006 114.1463 55.8577 31.2525 175.5662 605 G 4.2611 8.2728 111.8621 45.3638 0.0000 174.4505 606 S 4.8659 7.4087 112.8454 54.9827 67.8736 174.8557 607 G 3.5839 8.4571 107.9057 47.2729 0.0000 175.9551 608 K 2.7810 7.4999 121.6509 58.9039 32.0776 178.2971 609 N 4.2997 7.8149 117.6171 56.4794 38.8659 176.6624 610 L 3.3092 7.6097 121.9230 58.1044 42.0291 178.3536 611 Y 4.0075 7.8576 119.4553 60.7446 38.5090 177.7392 612 D 4.0636 7.9776 118.9687 57.1450 41.0604 178.4845 613 K 4.2702 8.0499 117.9213 58.6842 32.5204 176.4761 614 V 4.1916 7.7836 116.0429 63.4298 34.9010 176.8586 615 C 4.0525 7.8757 116.0327 63.0758 28.5676 176.5579 616 G 3.0553 7.9530 106.7558 47.1394 0.0000 175.1098 617 H 4.3004 7.6815 117.0844 58.0012 28.9058 176.3144 618 C 4.6405 7.8864 117.2110 60.8444 29.9398 175.1934 619 H 4.6438 8.0945 115.6882 56.8150 29.2626 176.1222 620 K 4.2405 7.7698 119.8243 55.6492 32.4495 175.9782 621 P 4.3114 0.0000 0.0000 66.0104 31.3897 177.8267 622 E 4.0576 8.1087 115.9869 58.8043 29.1911 177.7013 623 V 3.7426 7.2592 118.9001 62.4805 32.0166 176.7937 624 G 3.8626 7.9453 107.4282 46.6515 0.0000 174.7753 625 V 3.7341 8.0766 121.4848 64.1646 31.9076 175.8540 626 G 4.2064 7.5641 106.4745 42.2471 0.0000 170.6281 627 P 4.4738 0.0000 0.0000 61.8909 32.0142 176.5717 628 V 3.7408 8.3425 119.9340 63.5174 31.7267 175.7745 629 L 4.5620 8.3759 125.0737 54.4567 43.1766 176.3101 630 E 3.7616 8.1568 119.3145 56.9126 29.3975 176.6488 631 G 3.8212 8.5278 114.5169 47.0079 0.0000 174.0021 632 R 4.3098 8.1272 116.8988 54.6872 31.1499 176.6245 633 G 3.8995 7.9134 105.4991 46.2773 0.0000 174.0060 634 L 4.1635 7.9452 119.2988 53.2236 42.5681 176.3288 635 P 4.3648 0.0000 0.0000 62.5624 33.1748 177.1080 636 E 3.9506 8.9196 121.6847 59.5332 29.2902 179.1548 637 A 4.0877 7.9767 120.2346 54.7814 18.4883 178.8867 638 Y 4.1942 7.8205 117.9319 60.9433 39.1095 177.5338 639 I 3.4646 7.7595 120.7707 64.1863 37.0143 178.3748 640 K 3.9880 8.0210 120.4404 59.3834 31.9821 178.7097 641 D 4.3524 7.5653 118.0723 57.1950 40.8251 178.8056 642 I 3.6682 7.4226 120.4160 64.2643 37.0208 178.7086 643 V 3.8175 7.7861 119.1983 65.9652 31.1279 178.3103 644 R 4.0318 7.7256 116.9905 58.6278 30.0862 177.8524 645 N 4.6263 8.3172 114.9978 52.1040 39.6031 175.9791 646 G 4.0838 8.2560 106.6328 45.6750 0.0000 172.9992 647 F 4.8626 8.0782 121.7305 56.3969 42.4385 177.7398 648 R 3.4609 9.0412 129.5427 57.0801 28.9173 178.1533 649 A 3.9924 8.8981 129.6969 55.3404 19.0632 179.0420 650 M 4.2259 8.1050 117.6192 54.4966 32.8520 174.0618 651 P 4.4299 0.0000 0.0000 62.5321 32.8406 174.9254 652 A 4.8829 8.0886 121.4968 50.3834 21.0965 176.2043 653 F 4.7339 8.7450 119.5739 55.0018 41.4676 174.3167 654 P 4.5889 0.0000 0.0000 61.7263 31.6073 177.1660 655 A 4.5148 8.9122 122.7351 54.9036 17.9040 180.1019 656 S 4.3138 8.2079 111.5147 60.9941 63.1142 175.3983 657 Y 4.6052 7.3891 122.8539 58.1828 39.3205 175.6033 658 V 4.8227 8.1551 123.1138 60.9365 33.6088 174.6607 659 D 4.8197 9.1646 127.5597 52.4350 40.9016 177.1208 660 D 4.4198 8.8858 119.4987 57.8924 40.6948 178.9785 661 E 3.9984 8.2119 118.9525 59.4541 29.6833 178.8731 662 S 4.3203 8.3588 114.8377 61.2108 62.9167 176.6254 663 L 4.0091 7.8698 121.6222 57.8654 41.5071 179.3232 664 T 3.8898 7.8579 115.4753 66.8075 68.4369 176.7400 665 Q 4.0599 7.9792 119.7263 58.9444 28.7458 179.2586 666 V 3.7495 7.9380 120.0448 64.5032 31.5079 178.4123 667 A 3.9477 8.0968 121.5927 54.9934 17.8147 179.2510 668 E 3.8880 8.1575 117.8035 59.5235 28.3900 178.4079 669 Y 4.0997 8.1738 119.6708 60.6590 38.7562 177.9265 670 L 3.7489 7.9752 119.9740 57.6191 41.4208 179.6513 671 S 4.0604 7.6295 114.3479 61.1861 62.8650 176.2374 672 S 4.2363 7.4630 114.6429 59.0526 63.2622 174.3859 673 L 4.3234 6.1461 120.2804 52.7901 42.6953 174.6299 674 P 4.4049 0.0000 0.0000 62.1404 32.3451 176.2612 675 A 4.2843 8.3532 121.6298 52.6727 18.3263 177.5409 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 8.33 4.45 0.00 4.03 4.04 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 0.00 0.00 0.00 603 Q 8.93 3.74 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.80 0.00 0.00 0.00 0.00 0.00 1.87 2.28 0.00 604 W 8.40 4.42 0.00 3.29 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 0.00 605 G 8.27 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 0.00 0.00 0.00 0.00 606 S 7.41 4.87 0.00 3.95 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 0.00 607 G 8.46 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.50 2.78 0.00 0.96 1.48 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.00 7.81 609 N 7.81 4.30 0.00 2.85 3.17 0.00 0.00 6.81 6.74 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 7.61 3.31 0.00 1.48 1.62 -0.44 0.59 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 7.86 4.01 0.00 3.22 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 0.00 612 D 7.98 4.06 0.00 2.73 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 0.00 613 K 8.05 4.27 0.00 1.74 2.08 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.18 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.82 1.89 7.81 614 V 7.78 4.19 1.60 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 0.49 0.00 0.00 0.48 0.00 0.00 615 C 7.88 4.05 0.00 3.01 3.04 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 0.00 0.00 0.00 616 G 7.95 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 0.00 0.00 0.00 617 H 7.68 4.30 0.00 3.28 3.33 0.00 5.61 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 7.89 4.64 0.00 2.82 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 8.09 4.64 0.00 3.38 3.51 0.00 5.66 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 620 K 7.77 4.24 0.00 1.94 2.07 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.55 1.23 7.81 621 P 0.00 4.31 0.00 2.07 2.17 0.00 3.75 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 2.19 0.00 622 E 8.11 4.06 0.00 1.94 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 2.33 2.37 0.00 623 V 7.26 3.74 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 0.80 0.00 0.00 0.97 0.00 0.00 624 G 7.95 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 0.00 0.00 0.00 625 V 8.08 3.73 2.17 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 0.78 0.00 0.00 0.91 0.00 0.00 626 G 7.56 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 0.00 0.00 0.00 0.00 627 P 0.00 4.47 0.00 2.27 2.14 0.00 3.93 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 8.34 3.74 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 8.38 4.56 0.00 1.59 1.60 0.75 0.94 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 0.00 630 E 8.16 3.76 0.00 1.91 1.79 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 2.02 2.27 0.00 631 G 8.53 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 0.00 0.00 0.00 632 R 8.13 4.31 0.00 1.77 1.94 0.00 3.36 0.00 0.00 3.49 7.27 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 7.91 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 0.00 0.00 0.00 634 L 7.95 4.16 0.00 1.69 1.78 0.99 1.16 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 0.00 635 P 0.00 4.36 0.00 2.22 1.99 0.00 3.61 0.00 0.00 3.83 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 8.92 3.95 0.00 2.04 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 2.39 2.39 0.00 637 A 7.98 4.09 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 7.82 4.19 0.00 3.03 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 0.00 639 I 7.76 3.46 1.84 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 1.34 0.52 0.85 0.00 0.00 640 K 8.02 3.99 0.00 2.11 1.80 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 641 D 7.57 4.35 0.00 2.90 2.63 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 0.00 642 I 7.42 3.67 1.56 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.05 0.90 0.00 0.00 643 V 7.79 3.82 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 1.17 0.00 0.00 0.95 0.00 0.00 644 R 7.73 4.03 0.00 1.88 1.99 0.00 3.41 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 645 N 8.32 4.63 0.00 2.88 2.90 0.00 0.00 7.13 7.07 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 0.00 646 G 8.26 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 0.00 0.00 0.00 647 F 8.08 4.86 0.00 3.08 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 0.00 648 R 9.04 3.46 0.00 1.40 1.27 0.00 2.80 0.00 0.00 2.97 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.00 649 A 8.90 3.99 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 0.00 650 M 8.11 4.23 0.00 2.30 2.02 0.00 0.00 0.00 0.00 0.00 2.31 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 4.43 0.00 1.57 1.81 0.00 3.78 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 1.76 1.79 0.00 652 A 8.09 4.88 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 0.00 653 F 8.75 4.73 0.00 2.80 2.89 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 0.00 654 P 0.00 4.59 0.00 2.32 2.06 0.00 3.80 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 2.19 2.13 0.00 655 A 8.91 4.51 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 8.21 4.31 0.00 4.08 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 0.00 657 Y 7.39 4.61 0.00 3.41 3.32 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 0.00 658 V 8.16 4.82 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 0.86 0.00 0.00 0.74 0.00 0.00 659 D 9.16 4.82 0.00 2.95 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 0.00 660 D 8.89 4.42 0.00 2.77 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 8.21 4.00 0.00 2.07 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 2.41 2.43 0.00 662 S 8.36 4.32 0.00 4.25 4.01 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 0.00 663 L 7.87 4.01 0.00 1.89 1.70 0.93 0.72 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 0.00 664 T 7.86 3.89 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 1.27 0.00 0.00 665 Q 7.98 4.06 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 666 V 7.94 3.75 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.05 0.00 0.00 667 A 8.10 3.95 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 0.00 668 E 8.16 3.89 0.00 2.28 2.16 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 2.32 2.32 0.00 669 Y 8.17 4.10 0.00 3.13 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 0.00 670 L 7.98 3.75 0.00 1.91 1.53 0.19 0.72 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 0.00 671 S 7.63 4.06 0.00 3.92 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 672 S 7.46 4.24 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 6.15 4.32 0.00 1.34 1.43 0.44 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 674 P 0.00 4.40 0.00 2.14 2.01 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 675 A 8.35 4.28 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