NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 5.0495 8.3998 114.6431 62.1339 69.4845 173.0088 2 K 5.1126 8.9002 124.9239 53.6322 32.9628 173.9414 3 C 4.8298 9.0971 109.4337 54.0621 44.9925 176.2805 4 Y 3.0048 7.9322 120.3877 59.7044 38.0121 171.4754 5 V 4.4172 8.2269 111.9569 62.4005 35.0303 172.4766 6 T 4.6739 8.1571 110.2937 59.3225 71.0164 171.6417 7 P 4.5527 0.0000 0.0000 63.0167 31.4164 176.3371 8 D 4.2776 8.1335 120.6503 57.6793 40.5761 176.2507 9 A 4.4773 7.2465 118.9026 52.5735 21.9897 176.5569 10 T 4.6283 7.0570 103.5858 60.0436 71.7970 173.4886 11 S 4.2662 8.2770 116.9192 61.4005 63.3376 174.4125 12 Q 4.8306 7.6442 117.9047 56.0356 29.1543 175.4174 13 T 4.4384 7.9365 117.9327 62.5836 73.0394 171.9674 14 C 4.2934 8.6195 123.1293 56.5464 39.5939 171.8120 15 P 4.6745 0.0000 0.0000 63.2843 32.4945 177.7153 16 D 4.3748 8.8236 120.5921 55.8129 37.8063 174.8555 17 G 3.6627 7.2774 106.4392 44.8530 0.0000 175.1163 18 Q 3.6257 8.0372 118.4917 55.7236 28.7904 173.1540 19 D 4.6538 8.3194 114.7466 53.9910 41.1956 177.5539 20 I 4.9606 8.7594 120.7942 60.4661 42.1432 175.5844 21 C 5.0446 8.8807 118.9315 55.4725 43.6676 172.8611 22 Y 5.4921 8.4801 124.1609 55.9571 41.6578 174.2646 23 T 4.5222 9.2635 116.2632 59.2854 72.5297 172.9503 24 K 4.7721 8.8926 123.3616 57.8160 36.4665 175.2594 25 T 5.0293 9.1267 112.0455 60.9261 74.2927 175.5142 26 W 4.4282 6.2459 127.8218 57.1389 30.2905 175.5584 27 C 3.6834 6.1422 116.4874 56.0982 39.9290 173.3798 28 D 4.3967 9.0615 124.7216 56.5476 41.0473 176.7828 29 G 4.1001 7.1178 117.0064 45.9649 0.0000 172.6738 30 F 4.9229 7.6771 112.3734 55.8092 39.4346 173.5937 31 C 4.3679 7.6581 116.0253 56.6374 40.8135 174.7699 32 S 4.5173 7.1504 114.3941 56.6770 62.2908 175.1705 33 S 4.1842 8.1222 115.0686 61.3224 62.9787 175.4182 34 R 4.5883 7.9264 119.0626 55.6695 31.9688 175.4421 35 G 3.8923 9.0981 104.7000 45.9840 0.0000 173.7709 36 K 4.5169 8.9008 118.7585 58.4130 38.0571 179.3149 37 R 3.7767 8.1388 115.2147 55.4938 27.8403 175.5987 38 I 5.2951 7.4150 116.9328 58.3393 40.8083 173.9591 39 D 5.0580 8.2829 122.7435 51.3971 42.9115 174.5441 40 L 4.5630 8.0147 118.1570 53.7613 42.1872 176.1190 41 G 3.8406 8.5750 108.8649 44.8526 0.0000 170.6598 42 C 5.2353 8.4342 117.6298 54.8662 40.8224 167.7156 43 A 3.7930 9.1906 130.7945 51.7193 18.2464 178.4689 44 A 4.2683 8.7650 122.3496 52.7984 20.6673 172.5449 45 T 3.0857 7.9844 121.5487 64.6457 67.5912 172.6718 46 C 4.5358 8.4757 124.6673 54.2835 40.3136 171.8745 47 P 4.5608 0.0000 0.0000 62.4182 32.2458 177.1323 48 K 4.6573 7.8404 119.2306 53.4902 31.9647 174.2992 49 V 4.3351 7.1712 121.6208 62.4479 36.9771 175.4727 50 K 4.0858 8.3166 119.3433 58.3599 32.2715 175.7770 51 P 4.5743 0.0000 0.0000 62.5167 32.0397 175.8587 52 G 3.9978 8.3213 106.1654 45.8659 0.0000 173.9991 53 V 4.0153 7.7210 112.7172 61.1249 32.6273 174.1997 54 D 4.8867 8.4985 120.0034 52.5275 41.1154 175.7083 55 I 5.0840 8.3232 123.3330 59.4430 40.6705 174.4706 56 K 4.6727 8.8927 127.3241 55.5310 34.6421 174.9988 57 C 6.1886 8.9223 119.9147 54.5497 45.9426 172.7711 58 C 4.7892 8.4832 116.4415 54.5535 44.2351 173.0672 59 S 4.7285 8.8505 121.3671 57.7639 63.1232 172.9682 60 T 4.1575 7.5028 121.9920 62.8753 71.7834 172.0403 61 D 4.7006 8.4561 117.4110 55.0634 43.8974 175.3187 62 N 5.2235 7.8516 112.1661 51.8154 41.3597 177.4773 63 C 3.9365 8.1474 115.8266 58.1505 38.8715 172.0451 64 N 5.1962 8.5366 122.6779 51.2764 40.0407 172.8769 65 P 4.6254 0.0000 0.0000 62.7492 30.9588 177.0542 66 F 4.3396 8.1715 122.9294 61.6774 40.0184 174.5106 67 P 4.5489 0.0000 0.0000 62.3871 29.5925 175.2748 68 T 4.8407 7.9933 117.5038 60.2697 71.5982 174.1610 69 W 4.9571 8.8004 114.0669 57.1109 30.4931 175.6789 70 K 3.9107 7.1629 117.2392 56.4715 34.3937 175.2522 71 R 4.2314 7.1969 121.5541 55.5909 31.5072 175.2855 72 K 4.6384 8.6555 114.5650 55.2822 34.2609 175.6281 73 H 4.3217 8.6594 119.9766 56.1056 28.1042 174.9820 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 1 T 8.40 5.05 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 1.34 0.00 0.00 2 K 8.90 5.11 0.00 1.96 1.77 0.00 1.58 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.51 1.57 7.81 3 C 9.10 4.83 0.00 3.11 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 7.93 3.00 0.00 3.12 2.92 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 5 V 8.23 4.42 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.73 0.00 0.00 6 T 8.16 4.67 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 1.24 0.00 0.00 7 P 0.00 4.55 0.00 1.77 1.92 0.00 3.55 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.82 0.00 8 D 8.13 4.28 0.00 2.55 2.62 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 9 A 7.25 4.48 1.09 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 0.00 0.00 10 T 7.06 4.63 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 1.17 0.00 0.00 11 S 8.28 4.27 0.00 3.89 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 12 Q 7.64 4.83 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 13 T 7.94 4.44 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 0.87 0.00 0.00 14 C 8.62 4.29 0.00 3.32 3.24 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 0.00 15 P 0.00 4.67 0.00 2.26 2.20 0.00 3.91 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 16 D 8.82 4.37 0.00 2.82 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 17 G 7.28 3.66 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 0.00 0.00 0.00 18 Q 8.04 3.63 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 19 D 8.32 4.65 0.00 2.75 2.19 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 20 I 8.76 4.96 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.57 0.93 0.00 0.00 21 C 8.88 5.04 0.00 3.12 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 22 Y 8.48 5.49 0.00 3.00 2.76 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 0.00 0.00 0.00 23 T 9.26 4.52 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 1.09 0.00 0.00 24 K 8.89 4.77 0.00 2.13 2.14 0.00 1.33 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.72 1.84 7.81 25 T 9.13 5.03 4.06 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 1.27 0.00 0.00 26 W 6.25 4.43 0.00 3.67 3.23 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 27 C 6.14 3.68 0.00 2.06 2.45 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 0.00 0.00 0.00 0.00 28 D 9.06 4.40 0.00 2.74 2.90 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 29 G 7.12 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.68 4.92 0.00 3.13 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 31 C 7.66 4.37 0.00 2.73 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.15 4.52 0.00 3.90 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 33 S 8.12 4.18 0.00 3.87 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.93 4.59 0.00 1.75 1.92 0.00 3.41 0.00 0.00 3.37 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 35 G 9.10 3.89 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 0.00 0.00 0.00 36 K 8.90 4.52 0.00 1.86 1.98 0.00 1.59 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.58 7.81 37 R 8.14 3.78 0.00 1.78 1.77 0.00 3.22 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.63 0.00 38 I 7.41 5.30 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.21 0.82 0.00 0.00 39 D 8.28 5.06 0.00 2.60 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 40 L 8.01 4.56 0.00 0.73 0.85 0.47 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.57 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 C 8.43 5.24 0.00 2.85 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 43 A 9.19 3.79 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.76 4.27 1.10 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 0.00 0.00 0.00 0.00 0.00 45 T 7.98 3.09 4.16 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 1.18 0.00 0.00 46 C 8.48 4.54 0.00 2.92 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 47 P 0.00 4.56 0.00 2.15 2.01 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 48 K 7.84 4.66 0.00 1.70 1.77 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.44 7.81 49 V 7.17 4.34 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 0.72 0.00 0.00 0.93 0.00 0.00 50 K 8.32 4.09 0.00 1.76 1.89 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.41 7.81 51 P 0.00 4.57 0.00 2.21 2.07 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 52 G 8.32 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.72 4.02 2.19 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 1.04 0.00 0.00 1.02 0.00 0.00 54 D 8.50 4.89 0.00 2.69 2.79 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 0.00 0.00 0.00 55 I 8.32 5.08 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.75 1.09 0.00 0.00 56 K 8.89 4.67 0.00 1.85 1.90 0.00 1.21 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.42 7.81 57 C 8.92 6.19 0.00 2.85 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 58 C 8.48 4.79 0.00 2.99 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 59 S 8.85 4.73 0.00 3.80 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 60 T 7.50 4.16 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 1.28 0.00 0.00 61 D 8.46 4.70 0.00 2.74 2.54 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 0.00 0.00 0.00 0.00 62 N 7.85 5.22 0.00 2.72 2.80 0.00 0.00 7.00 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 63 C 8.15 3.94 0.00 3.14 2.98 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 64 N 8.54 5.20 0.00 2.75 2.77 0.00 0.00 5.82 7.91 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 65 P 0.00 4.63 0.00 2.20 2.16 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 66 F 8.17 4.34 0.00 3.30 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 67 P 0.00 4.55 0.00 2.25 2.09 0.00 3.92 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 68 T 7.99 4.84 4.45 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 0.00 0.00 0.00 1.40 0.00 0.00 69 W 8.80 4.96 0.00 3.68 3.17 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 70 K 7.16 3.91 0.00 0.79 0.91 0.00 0.63 0.00 0.00 0.73 0.00 0.00 2.61 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.79 0.96 7.81 71 R 7.20 4.23 0.00 1.61 1.54 0.00 3.13 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 72 K 8.66 4.64 0.00 1.71 1.74 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.46 7.81 73 H 8.66 4.32 0.00 3.33 3.34 0.00 5.56 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00