NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 549 P 4.4644 0.0000 0.0000 62.3933 33.1647 177.7664 550 M 4.0695 8.4718 120.0483 58.1226 30.9977 173.1017 551 E 4.1673 8.9669 118.5255 59.4536 30.4994 178.0165 552 Y 4.0475 8.0691 116.9047 60.3706 37.6601 177.4531 553 A 4.1589 8.3250 124.1110 55.2825 18.2707 179.9267 554 K 4.2261 7.8318 120.5173 58.8143 31.8529 181.9262 555 M 4.5947 7.5366 115.7637 55.5524 32.7778 176.5735 556 W 4.5801 7.5734 119.5757 56.7542 29.9789 175.4905 557 K 4.8236 9.5624 121.0915 53.9776 35.3989 173.9358 558 P 4.6258 0.0000 0.0000 64.4466 31.6305 176.5046 559 G 4.0758 8.9790 111.1657 45.3788 0.0000 173.8199 560 D 4.5960 7.9983 120.4883 54.4632 41.6138 176.2352 561 E 4.6891 8.8397 123.2067 56.7143 30.9366 175.3628 562 C 4.4934 8.2775 115.7387 58.0803 33.7864 171.8658 563 F 5.6182 9.0651 117.7657 55.9523 40.8622 175.0995 564 A 5.3932 8.8373 125.4350 49.7044 21.9612 175.1938 565 L 3.7318 8.5432 124.3616 55.1332 42.8261 175.7329 566 Y 4.7455 9.3005 129.2153 56.3044 39.3573 176.3945 567 W 4.1767 8.8698 124.1548 59.3301 28.5754 177.0621 568 E 2.9597 5.9000 119.1378 57.5765 28.8715 176.5408 569 D 4.6294 7.0724 113.6738 51.8111 40.8294 174.8212 570 N 4.1022 7.8117 116.3881 54.8865 36.7558 173.6461 571 K 4.5999 7.4618 114.8624 54.5267 37.1616 176.5234 572 F 5.1622 8.4194 120.7310 56.8225 40.3119 175.0054 573 Y 5.0708 9.2429 122.3770 56.4117 42.6840 175.7332 574 R 4.7377 9.2581 122.0132 57.7222 30.6709 176.1420 575 A 4.9751 9.1238 124.8377 49.1787 23.4618 173.9738 576 E 4.9647 8.6878 119.9659 54.1000 32.6523 175.3368 577 V 3.8544 8.8724 127.4931 63.3577 32.1687 175.6780 578 E 4.4835 9.2135 127.3249 57.8556 31.1558 176.0762 579 A 4.7255 7.7204 118.3337 50.7794 22.9212 174.6970 580 L 5.0315 8.3135 119.0734 53.0109 44.3684 176.2048 581 H 4.5127 8.9489 124.0498 55.7076 30.5440 176.5142 582 S 4.2092 8.5981 119.3797 61.1230 62.9336 175.8025 583 S 4.1585 8.2257 114.7587 59.3244 63.0474 175.2912 584 G 3.9815 8.1962 108.3006 46.0160 0.0000 173.6275 585 M 4.6669 7.8761 119.6428 55.8839 34.2124 175.7294 586 T 5.2314 7.7179 107.1302 60.3483 72.9030 172.4640 587 A 5.1436 9.0625 123.1184 50.2427 23.2039 175.2580 588 V 4.4987 8.6271 120.9719 62.3438 32.9774 175.5462 589 V 4.7998 9.0291 120.9031 59.3096 35.6872 174.5447 590 K 4.4248 8.4428 124.3395 54.3130 34.2877 175.2906 591 F 4.4870 8.9269 128.0345 57.5541 39.2304 177.1210 592 I 3.6854 8.6715 125.5523 64.3943 37.3435 177.4921 593 D 4.3332 8.2400 119.0764 56.7316 40.0793 176.6677 594 Y 4.3186 7.8612 113.7866 56.9296 39.2003 177.0021 595 G 3.8474 8.4595 108.2372 45.6734 0.0000 173.0994 596 N 4.7983 7.5586 118.7118 52.5178 38.7368 173.7784 597 Y 5.0187 8.9140 120.7634 57.4535 39.3225 174.6117 598 E 5.0042 9.4083 122.1975 54.7342 34.8009 173.8387 599 E 4.9803 8.8268 122.3616 55.5793 30.8718 175.7199 600 V 4.7279 8.9065 119.1560 59.1793 36.5649 175.2887 601 L 4.5436 8.5158 122.8374 54.6608 42.5064 178.5191 602 L 4.0957 8.5897 122.8262 57.9328 41.7786 179.9239 603 S 4.3525 8.1921 111.7759 60.6001 63.3526 174.3958 604 N 5.1288 8.2936 118.4002 53.0999 38.4921 173.5667 605 I 5.0163 7.5167 119.2122 59.6632 39.0127 175.3654 606 K 4.9391 9.4930 125.7800 53.9428 36.1731 174.0788 607 P 5.0593 0.0000 0.0000 62.0103 32.5173 176.7230 608 I 3.3496 8.1950 121.6637 61.7350 36.9669 176.1840 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 549 P 0.00 4.46 0.00 2.49 2.18 0.00 3.42 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 1.98 2.10 0.00 550 M 8.47 4.07 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.23 0.00 551 E 8.97 4.17 0.00 1.89 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 2.01 0.00 552 Y 8.07 4.05 0.00 2.99 2.88 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 0.00 553 A 8.33 4.16 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.83 4.23 0.00 1.87 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 555 M 7.54 4.59 0.00 1.90 2.08 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.39 0.00 556 W 7.57 4.58 0.00 3.31 3.05 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 0.00 0.00 0.00 0.00 557 K 9.56 4.82 0.00 1.90 1.91 0.00 1.35 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.73 1.44 7.81 558 P 0.00 4.63 0.00 2.09 2.22 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 559 G 8.98 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 0.00 560 D 8.00 4.60 0.00 2.95 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 0.00 561 E 8.84 4.69 0.00 1.82 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 2.23 2.26 0.00 562 C 8.28 4.49 0.00 2.63 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 563 F 9.07 5.62 0.00 2.94 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 0.00 564 A 8.84 5.39 1.07 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 0.00 565 L 8.54 3.73 0.00 1.06 1.50 0.18 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 566 Y 9.30 4.75 0.00 2.69 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 0.00 567 W 8.87 4.18 0.00 3.43 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 0.00 568 E 5.90 2.96 0.00 1.16 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 1.67 1.47 0.00 569 D 7.07 4.63 0.00 2.70 2.58 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 0.00 570 N 7.81 4.10 0.00 2.80 2.83 0.00 0.00 6.70 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 571 K 7.46 4.60 0.00 1.64 1.27 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.56 7.81 572 F 8.42 5.16 0.00 2.71 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 0.00 573 Y 9.24 5.07 0.00 3.21 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 0.00 574 R 9.26 4.74 0.00 1.50 1.83 0.00 3.19 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.22 0.00 575 A 9.12 4.98 0.59 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 0.00 0.00 0.00 0.00 0.00 0.00 576 E 8.69 4.96 0.00 1.90 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.17 0.00 577 V 8.87 3.85 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 0.97 0.00 0.00 0.71 0.00 0.00 578 E 9.21 4.48 0.00 2.12 2.09 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 2.48 2.58 0.00 579 A 7.72 4.73 1.23 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 0.00 0.00 580 L 8.31 5.03 0.00 1.55 1.63 1.10 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 581 H 8.95 4.51 0.00 3.33 3.19 0.00 5.59 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 582 S 8.60 4.21 0.00 3.99 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 0.00 583 S 8.23 4.16 0.00 4.06 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.20 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 585 M 7.88 4.67 0.00 1.94 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 586 T 7.72 5.23 4.33 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 1.21 0.00 0.00 587 A 9.06 5.14 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 588 V 8.63 4.50 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 1.21 0.00 0.00 0.99 0.00 0.00 589 V 9.03 4.80 1.67 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 0.44 0.00 0.00 0.63 0.00 0.00 590 K 8.44 4.42 0.00 1.19 1.34 0.00 1.34 0.00 0.00 1.35 0.00 0.00 2.68 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.90 0.21 7.81 591 F 8.93 4.49 0.00 3.06 2.87 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 0.00 592 I 8.67 3.69 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.40 0.89 0.00 0.00 593 D 8.24 4.33 0.00 2.65 2.33 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 0.00 594 Y 7.86 4.32 0.00 2.94 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 0.00 595 G 8.46 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 0.00 0.00 0.00 596 N 7.56 4.80 0.00 3.26 3.04 0.00 0.00 6.97 7.45 0.00 0.00 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 Y 8.91 5.02 0.00 2.90 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 0.00 598 E 9.41 5.00 0.00 2.22 2.09 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 2.73 3.06 0.00 599 E 8.83 4.98 0.00 2.01 1.86 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 2.27 2.36 0.00 600 V 8.91 4.73 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 0.90 0.00 0.00 0.92 0.00 0.00 601 L 8.52 4.54 0.00 1.77 1.64 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 602 L 8.59 4.10 0.00 1.84 1.91 1.19 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 603 S 8.19 4.35 0.00 4.07 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 0.00 604 N 8.29 5.13 0.00 3.03 2.97 0.00 0.00 6.70 7.60 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 0.00 605 I 7.52 5.02 1.64 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.61 -0.29 0.00 0.00 606 K 9.49 4.94 0.00 1.64 1.70 0.00 0.61 0.00 0.00 1.21 0.00 0.00 2.61 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.23 1.14 7.81 607 P 0.00 5.06 0.00 2.01 2.07 0.00 3.79 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.25 0.00 608 I 8.19 3.35 1.79 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.57 0.83 0.00 0.00