NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 586 M 4.3574 8.3044 120.3099 55.3950 33.2595 174.0767 587 E 4.9990 7.9323 124.4336 55.3598 31.9540 174.1241 588 K 4.7306 7.3622 116.3731 53.9511 36.7307 176.5233 589 S 4.1232 8.6373 115.3507 61.4397 62.0917 176.4211 590 L 3.9124 7.8354 122.6034 58.0609 42.0381 178.4718 591 V 3.6345 7.8893 117.6171 66.5519 31.2524 177.5621 592 D 4.5014 8.0670 117.7484 57.3440 40.8751 178.6836 593 T 3.8992 7.9017 116.3054 66.7417 68.3466 176.7625 594 V 3.5364 8.1717 120.2233 66.2424 31.5668 177.5440 595 Y 3.7329 8.0378 114.8953 59.7287 37.5616 177.7791 596 A 4.1315 8.0810 122.9923 54.6525 18.4058 178.9022 597 L 3.8206 7.9001 118.1893 58.2654 42.2488 179.0220 598 K 3.8077 8.0795 119.4371 59.8512 31.9347 178.1126 599 D 4.3243 7.6926 118.5816 57.5039 40.8600 178.3642 600 E 3.9403 8.7993 119.8159 59.7524 29.6266 179.8385 601 V 3.5684 8.8943 118.6573 66.0928 31.4509 177.8757 602 Q 4.0208 8.0292 118.7111 58.8072 28.6947 178.2039 603 E 3.9155 7.8938 119.5916 59.4073 29.5052 179.0027 604 L 3.9210 7.8468 120.0188 57.8640 42.0357 179.0543 605 R 3.8931 7.8105 118.8371 59.3165 29.9872 178.5224 606 Q 3.9082 7.7802 117.7433 59.2979 28.7903 178.1050 607 D 4.3997 8.3104 120.0654 57.7039 40.6982 179.2574 608 N 4.3205 7.8685 116.8323 56.3721 38.3129 177.6534 609 K 3.6269 7.9715 119.6393 59.1935 32.0229 179.7113 610 K 3.9940 8.2414 118.9617 59.5913 32.1064 178.9384 611 M 4.0007 8.2092 119.3351 58.6346 32.0508 178.7397 612 K 3.8924 8.8479 120.1475 59.5387 32.2613 178.6550 613 K 4.0304 7.7548 119.4705 59.2014 32.0352 179.2222 614 S 4.2236 8.0970 115.6611 61.4975 62.6600 176.3824 615 L 3.9454 7.8174 121.6157 57.9870 41.3055 179.0121 616 E 4.2915 7.9208 117.7437 59.8940 29.4586 179.3590 617 E 3.9256 8.1856 117.8590 59.5931 29.6443 179.0088 618 E 3.9149 8.7791 119.4284 59.5102 29.5108 179.0154 619 Q 3.9725 8.9893 119.1757 58.9884 28.5756 178.9411 620 R 3.9218 8.3528 116.5524 58.5303 28.8413 178.1175 621 A 4.0161 7.8410 121.5307 54.0819 19.1396 179.2962 622 R 3.8998 7.9128 117.5608 59.4500 30.1983 178.8550 623 K 4.0696 8.3661 118.4824 59.3000 32.1028 179.0425 624 D 4.4176 7.7206 119.1213 56.9130 40.7030 178.4293 625 L 4.0367 7.6928 120.2813 57.8958 41.9626 178.8413 626 E 3.9755 7.9566 118.5467 59.1684 29.3863 179.3318 627 K 3.9184 7.8683 118.2353 59.1501 32.0142 179.4608 628 L 3.9131 7.6996 118.9525 57.7940 41.7465 179.3156 629 V 3.5577 7.8766 118.2237 66.2660 31.3654 177.9720 630 R 3.8839 8.5856 118.8081 59.2279 29.6961 178.2754 631 K 4.1537 8.0732 117.6332 58.8949 32.7039 179.0801 632 V 3.7070 7.9205 119.5516 65.3779 31.6612 177.6518 633 L 4.1362 7.6874 118.9008 57.5590 41.7249 178.9662 634 K 3.8873 8.0027 119.4663 59.4997 31.7487 178.0513 635 N 4.5295 7.5912 114.0050 55.4074 38.7628 176.9933 636 M 4.2089 7.7210 119.9544 58.8984 32.0732 177.2862 637 N 4.6715 8.2058 116.4939 53.3242 40.1429 174.5295 638 D 4.8060 7.8633 127.7206 51.1280 41.5658 174.4385 639 P 4.2661 0.0000 0.0000 64.6612 31.7537 178.3348 640 A 4.0086 8.2615 118.2784 51.7026 17.4815 177.5161 641 W 5.2354 7.8964 115.6500 55.4014 30.1023 175.2548 642 D 5.0982 8.5438 122.1835 52.2159 43.7257 174.4716 643 E 4.7204 8.5169 122.0497 54.7916 32.6406 175.8154 644 T 4.5983 8.1202 118.4291 61.8652 72.3632 173.1321 645 N 4.6733 8.7371 123.8169 52.5412 39.5566 175.2138 646 L 4.3508 8.3187 121.9975 54.9299 42.5592 176.3037 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 586 M 8.30 4.36 0.00 2.36 1.99 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 2.26 2.29 0.00 587 E 7.93 5.00 0.00 1.94 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 2.02 2.38 0.00 588 K 7.36 4.73 0.00 1.86 1.65 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.44 7.81 589 S 8.64 4.12 0.00 3.89 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 0.00 590 L 7.84 3.91 0.00 1.81 1.65 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 591 V 7.89 3.63 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 1.04 0.00 0.00 0.96 0.00 0.00 592 D 8.07 4.50 0.00 2.82 2.72 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 0.00 0.00 0.00 593 T 7.90 3.90 4.36 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 1.22 0.00 0.00 594 V 8.17 3.54 2.27 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 0.94 0.00 0.00 0.93 0.00 0.00 595 Y 8.04 3.73 0.00 3.13 3.07 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 0.00 596 A 8.08 4.13 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 0.00 597 L 7.90 3.82 0.00 1.88 1.66 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 598 K 8.08 3.81 0.00 1.63 1.82 0.00 1.51 0.00 0.00 1.59 0.00 0.00 2.74 0.00 0.00 2.21 0.00 0.00 0.00 0.00 1.37 1.37 7.81 599 D 7.69 4.32 0.00 2.96 2.71 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 0.00 600 E 8.80 3.94 0.00 2.09 2.01 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 2.34 2.52 0.00 601 V 8.89 3.57 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 0.97 0.00 0.00 0.97 0.00 0.00 602 Q 8.03 4.02 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 603 E 7.89 3.92 0.00 2.25 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 2.33 2.46 0.00 604 L 7.85 3.92 0.00 1.73 1.66 0.91 0.90 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 0.00 605 R 7.81 3.89 0.00 2.09 2.14 0.00 3.19 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 606 Q 7.78 3.91 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.47 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 607 D 8.31 4.40 0.00 2.74 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.87 4.32 0.00 3.03 2.85 0.00 0.00 6.93 7.55 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 0.00 609 K 7.97 3.63 0.00 1.94 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 610 K 8.24 3.99 0.00 1.98 1.84 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.62 7.81 611 M 8.21 4.00 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.93 0.00 612 K 8.85 3.89 0.00 1.77 1.81 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.45 7.81 613 K 7.75 4.03 0.00 2.15 1.91 0.00 1.57 0.00 0.00 1.64 0.00 0.00 3.24 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.52 7.81 614 S 8.10 4.22 0.00 4.08 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 0.00 615 L 7.82 3.95 0.00 1.75 1.72 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 616 E 7.92 4.29 0.00 2.25 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 2.34 2.54 0.00 617 E 8.19 3.93 0.00 2.14 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 2.33 2.64 0.00 618 E 8.78 3.91 0.00 2.13 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 0.00 2.31 2.41 0.00 619 Q 8.99 3.97 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 620 R 8.35 3.92 0.00 2.02 2.19 0.00 2.75 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 621 A 7.84 4.02 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 0.00 622 R 7.91 3.90 0.00 2.01 2.02 0.00 3.44 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 623 K 8.37 4.07 0.00 1.82 1.84 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.56 7.81 624 D 7.72 4.42 0.00 2.78 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.69 4.04 0.00 1.89 1.72 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 626 E 7.96 3.98 0.00 2.22 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 2.32 2.63 0.00 627 K 7.87 3.92 0.00 1.97 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.62 7.81 628 L 7.70 3.91 0.00 1.93 1.69 0.97 0.56 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 0.00 629 V 7.88 3.56 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 0.98 0.00 0.00 0.99 0.00 0.00 630 R 8.59 3.88 0.00 2.12 2.02 0.00 3.12 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 631 K 8.07 4.15 0.00 2.00 2.21 0.00 1.32 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.38 7.81 632 V 7.92 3.71 2.23 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 0.83 0.00 0.00 0.97 0.00 0.00 633 L 7.69 4.14 0.00 1.99 1.68 0.91 0.48 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 0.00 634 K 8.00 3.89 0.00 1.82 1.79 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.48 7.81 635 N 7.59 4.53 0.00 2.72 2.78 0.00 0.00 7.04 7.54 0.00 0.00 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 M 7.72 4.21 0.00 2.00 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.96 0.00 637 N 8.21 4.67 0.00 2.69 2.72 0.00 0.00 6.71 8.47 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 0.00 638 D 7.86 4.81 0.00 2.68 2.55 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 0.00 639 P 0.00 4.27 0.00 2.29 2.18 0.00 3.73 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.33 0.00 640 A 8.26 4.01 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 0.00 641 W 7.90 5.24 0.00 3.21 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 0.00 642 D 8.54 5.10 0.00 2.63 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.52 4.72 0.00 1.93 1.76 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 2.12 2.26 0.00 644 T 8.12 4.60 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 1.19 0.00 0.00 645 N 8.74 4.67 0.00 2.70 2.74 0.00 0.00 6.85 7.85 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 0.00 646 L 8.32 4.35 0.00 1.56 1.49 0.90 0.86 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