NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 540 G 3.9276 8.3549 109.7373 44.6847 0.0000 173.9088 541 P 4.3410 0.0000 0.0000 61.1707 32.1670 174.7803 542 L 4.1918 8.3476 120.2726 54.4319 43.1218 177.4054 543 G 3.8178 8.3055 109.9476 45.1729 0.0000 173.8126 544 S 4.2523 8.3789 115.2268 57.7347 63.7839 173.3653 545 L 4.6008 8.3857 124.3140 53.4271 43.8175 176.3971 546 T 4.5737 8.1272 115.9506 59.8650 72.4655 175.2495 547 A 4.0039 8.3415 123.0974 55.3062 18.1619 180.1245 548 S 4.1166 7.9343 111.4511 61.7462 63.4143 176.1481 549 M 4.1822 7.9283 121.9467 58.0046 31.8500 178.4678 550 L 3.9298 8.1041 120.2249 58.1898 42.1144 178.9090 551 A 4.1234 8.2837 119.7590 54.4175 18.3636 178.7765 552 S 4.3539 7.6096 110.7107 58.3298 63.8425 173.9634 553 A 4.6816 6.9367 125.1574 49.8432 21.0068 175.6396 554 P 4.4366 0.0000 0.0000 62.0984 33.4531 176.1810 555 P 4.2447 0.0000 0.0000 65.8159 31.2604 178.7756 556 Q 3.9708 8.0765 117.9221 59.3148 28.8871 178.0020 557 E 3.9826 8.1091 119.7592 59.1617 29.7509 178.5588 558 Q 4.0038 8.2575 118.3097 58.9698 28.7544 178.9660 559 K 4.0172 7.9396 118.9901 59.3735 32.0340 179.2733 560 Q 3.9517 7.8680 119.5732 59.3602 28.5172 177.9970 561 M 4.0576 8.3696 120.1287 58.5148 31.9358 178.8638 562 L 3.9806 8.0921 119.1256 57.6592 41.7547 179.6535 563 G 3.6990 8.5007 106.1408 48.0654 0.0000 175.6019 564 E 3.9921 8.2124 119.7956 58.7645 29.7604 179.0350 565 R 4.2936 7.5839 117.5718 58.3127 30.4564 178.8908 566 L 3.9805 8.3058 119.3395 57.5422 41.6292 178.9648 567 F 4.0711 8.3921 122.1881 60.4021 39.3813 175.4946 568 P 4.3095 0.0000 0.0000 65.4959 31.2728 178.6886 569 L 4.0039 7.4008 115.5948 57.8025 41.5287 179.5648 570 I 3.7821 7.9360 120.0760 64.2227 36.5898 178.2039 571 Q 3.7148 8.3751 120.6294 59.0000 28.5248 178.2820 572 A 4.0315 7.5371 120.5738 55.1007 18.4030 179.3114 573 M 4.2611 7.2587 115.4578 57.3908 33.3466 177.0301 574 H 4.7662 8.3640 117.8915 52.7841 29.9775 171.9395 575 P 4.3649 0.0000 0.0000 65.0170 31.7908 178.3120 576 T 4.1178 7.8923 113.3008 66.4229 68.7950 176.1959 577 L 4.2969 7.8222 118.4570 54.9307 41.7754 178.2177 578 A 3.9315 7.7058 122.9980 55.3490 18.1911 180.0939 579 G 3.7727 8.1745 103.3677 47.9270 0.0000 175.9567 580 K 4.0009 8.0002 120.5536 59.1998 32.1382 179.3185 581 I 3.6972 8.0902 120.4061 64.7657 37.1208 178.6217 582 T 4.0018 8.2856 116.8523 66.6836 68.0949 176.9446 583 G 3.7718 7.9321 106.3969 47.9681 0.0000 175.3943 584 M 4.2405 8.1813 120.9183 58.3602 32.0914 178.9699 585 L 4.1065 8.3034 119.1922 57.3999 41.5444 178.9201 586 L 4.2687 7.7586 117.1101 56.2070 41.6393 178.3090 587 E 4.1541 7.9839 118.3961 57.3899 29.8652 177.2307 588 I 3.9773 6.9602 119.8746 60.3740 38.1288 175.9032 589 D 4.4174 8.6049 121.9348 55.0084 42.5899 177.5556 590 N 4.4007 8.8052 123.1436 56.5892 38.6092 177.8550 591 S 4.1511 8.2781 116.2769 61.3072 63.0077 176.0882 592 E 3.9888 8.5256 122.2930 59.0780 29.3656 178.7603 593 L 3.9717 7.9857 119.1129 57.7482 41.5010 179.1803 594 L 3.9403 7.9843 119.2079 58.4971 42.3395 178.0722 595 H 4.4528 8.3899 118.0839 59.7271 29.2317 177.0952 596 M 4.0093 8.5440 120.7530 58.3756 31.5475 178.7525 597 L 4.0783 7.9908 118.1431 57.1295 41.8338 178.4978 598 E 4.6049 7.8118 116.8347 55.9905 30.3917 175.9958 599 S 4.4638 7.3984 112.3335 54.8862 63.5880 172.0763 600 P 4.2572 0.0000 0.0000 65.5555 31.0210 178.0543 601 E 3.9237 8.0979 117.6103 59.2254 29.6013 178.9404 602 S 4.0620 7.7680 115.2571 61.4835 62.9274 176.2405 603 L 3.9037 7.8717 122.9627 58.2132 41.7310 178.8658 604 R 3.8633 8.0952 118.5447 59.5697 30.1201 178.3197 605 S 4.0711 8.0558 112.7739 61.3793 62.3932 176.3608 606 K 4.1432 8.0757 121.1613 59.4005 31.7323 179.4178 607 V 3.5782 8.1852 118.9502 66.2706 31.3897 177.7747 608 D 4.3621 8.3169 118.5869 57.4270 40.6163 178.7296 609 E 3.9403 8.1564 118.5309 59.2295 29.4634 179.2502 610 A 3.9630 8.0522 120.8490 55.1712 18.3892 179.8100 611 V 3.4573 8.1250 116.9552 65.9907 31.3054 177.9327 612 A 3.9524 7.9069 119.6949 55.3621 18.5026 179.5280 613 V 3.6964 7.6682 116.1532 65.9988 31.3869 178.2769 614 L 4.1666 7.8385 117.9186 57.2171 41.5917 178.5626 615 Q 4.2467 8.1557 116.0466 56.7376 29.0395 176.2608 616 A 4.2851 7.4177 125.4877 52.3554 18.5708 176.8887 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 540 G 8.35 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 0.00 541 P 0.00 4.34 0.00 2.14 2.00 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 542 L 8.35 4.19 0.00 1.64 1.61 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 543 G 8.31 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 0.00 544 S 8.38 4.25 0.00 3.99 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 0.00 545 L 8.39 4.60 0.00 1.57 1.58 0.93 0.93 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 0.00 546 T 8.13 4.57 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 1.21 0.00 0.00 547 A 8.34 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 S 7.93 4.12 0.00 4.04 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 0.00 549 M 7.93 4.18 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 550 L 8.10 3.93 0.00 1.88 1.88 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 551 A 8.28 4.12 1.32 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 0.00 0.00 552 S 7.61 4.35 0.00 3.98 4.09 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 0.00 553 A 6.94 4.68 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 0.00 554 P 0.00 4.44 0.00 2.17 1.99 0.00 3.61 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 2.11 2.18 0.00 555 P 0.00 4.24 0.00 2.15 2.10 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 556 Q 8.08 3.97 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 557 E 8.11 3.98 0.00 2.12 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 0.00 2.37 2.46 0.00 558 Q 8.26 4.00 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.72 0.00 559 K 7.94 4.02 0.00 1.93 1.86 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.60 7.81 560 Q 7.87 3.95 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 561 M 8.37 4.06 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.59 0.00 562 L 8.09 3.98 0.00 1.72 1.73 0.97 0.81 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 0.00 563 G 8.50 3.70 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 0.00 0.00 0.00 564 E 8.21 3.99 0.00 1.97 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 2.62 2.49 0.00 565 R 7.58 4.29 0.00 1.84 1.98 0.00 3.25 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 566 L 8.31 3.98 0.00 1.73 1.75 0.98 0.93 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 0.00 567 F 8.39 4.07 0.00 3.23 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 0.00 568 P 0.00 4.31 0.00 2.24 2.16 0.00 3.78 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 569 L 7.40 4.00 0.00 1.89 1.69 0.92 0.76 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 0.00 570 I 7.94 3.78 1.69 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 1.37 0.72 0.83 0.00 0.00 571 Q 8.38 3.71 0.00 1.29 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.19 0.00 572 A 7.54 4.03 1.32 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 0.00 0.00 573 M 7.26 4.26 0.00 2.01 2.22 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.53 0.00 574 H 8.36 4.77 0.00 3.03 3.12 0.00 5.63 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 575 P 0.00 4.36 0.00 2.02 2.10 0.00 3.69 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 576 T 7.89 4.12 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 0.00 577 L 7.82 4.30 0.00 1.66 1.66 0.87 0.99 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 0.00 578 A 7.71 3.93 0.91 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 0.00 579 G 8.17 3.77 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 0.00 0.00 0.00 580 K 8.00 4.00 0.00 1.97 1.87 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.55 7.81 581 I 8.09 3.70 1.84 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 1.47 0.83 0.88 0.00 0.00 582 T 8.29 4.00 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 1.34 0.00 0.00 583 G 7.93 3.77 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 0.00 0.00 0.00 584 M 8.18 4.24 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.58 0.00 585 L 8.30 4.11 0.00 1.81 1.73 0.98 0.59 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 0.00 586 L 7.76 4.27 0.00 1.80 1.73 0.95 1.00 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 0.00 587 E 7.98 4.15 0.00 2.07 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 2.44 2.49 0.00 588 I 6.96 3.98 2.04 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 1.19 0.50 0.92 0.00 0.00 589 D 8.60 4.42 0.00 2.79 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.81 4.40 0.00 2.78 2.86 0.00 0.00 7.15 7.57 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 0.00 591 S 8.28 4.15 0.00 4.01 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 0.00 592 E 8.53 3.99 0.00 2.11 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 2.32 2.41 0.00 593 L 7.99 3.97 0.00 1.93 1.72 1.01 0.44 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 0.00 594 L 7.98 3.94 0.00 1.71 1.87 0.93 1.16 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 0.00 595 H 8.39 4.45 0.00 3.28 3.50 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 596 M 8.54 4.01 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.58 0.00 597 L 7.99 4.08 0.00 1.81 1.73 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 598 E 7.81 4.60 0.00 2.09 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 2.30 2.41 0.00 599 S 7.40 4.46 0.00 3.71 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 0.00 600 P 0.00 4.26 0.00 2.18 2.08 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 601 E 8.10 3.92 0.00 2.02 1.93 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 2.37 2.40 0.00 602 S 7.77 4.06 0.00 3.92 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 0.00 603 L 7.87 3.90 0.00 1.96 1.79 0.91 0.64 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 0.00 604 R 8.10 3.86 0.00 2.16 1.91 0.00 3.14 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 605 S 8.06 4.07 0.00 4.07 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 0.00 606 K 8.08 4.14 0.00 1.97 1.84 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.59 7.81 607 V 8.19 3.58 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 1.13 0.00 0.00 0.98 0.00 0.00 608 D 8.32 4.36 0.00 2.89 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 0.00 609 E 8.16 3.94 0.00 2.20 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 2.33 2.50 0.00 610 A 8.05 3.96 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 0.00 611 V 8.12 3.46 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 1.02 0.00 0.00 0.71 0.00 0.00 612 A 7.91 3.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.67 3.70 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 1.02 0.00 0.00 0.93 0.00 0.00 614 L 7.84 4.17 0.00 1.77 1.70 0.90 0.80 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 0.00 615 Q 8.16 4.25 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 616 A 7.42 4.29 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00