NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.4335 8.1133 120.8611 56.7475 32.3395 177.2842 2 D 4.3372 8.2934 117.7145 57.4856 40.8301 178.7144 3 K 3.9799 8.6509 124.7925 59.4381 32.0822 180.1367 4 F 4.9762 8.2453 117.3694 60.0157 38.9649 178.0533 5 M 4.1027 8.0621 118.4629 58.0290 31.9200 177.7669 6 D 4.5461 8.3149 118.3260 57.5246 41.3227 178.0203 7 E 3.9854 8.1777 119.2146 59.2479 29.5636 178.4768 8 F 4.0919 8.1880 120.6856 61.4715 39.4364 177.2016 9 F 4.1482 8.5950 120.1091 60.8201 38.6507 178.5576 10 K 4.0121 8.2042 123.6001 59.8734 31.5560 182.0066 11 Q 4.1345 8.2357 119.8922 58.7452 28.5449 179.2741 12 V 3.3975 7.5155 119.3237 66.0345 31.4854 178.0165 13 E 3.9013 8.1283 118.3357 59.2188 29.2415 178.9693 14 E 3.6752 8.1213 119.4943 59.2181 29.6693 178.9712 15 I 3.7911 7.7387 119.8928 64.3207 37.0853 178.6523 16 R 3.9234 8.1261 119.1044 59.3349 29.9000 179.1202 17 Q 3.9477 8.1513 117.9354 59.1310 28.6767 178.3680 18 Y 4.4333 7.8334 117.7450 61.1781 37.7946 178.9447 19 I 3.8051 7.8115 120.6563 64.6231 37.2186 178.1238 20 D 4.3694 8.2555 119.7596 57.3931 40.5957 179.0219 21 R 4.0361 8.1010 119.1578 59.5657 30.1149 178.6558 22 I 3.6392 7.9625 119.4016 64.1889 37.1317 178.3746 23 A 3.9565 8.1513 121.7753 55.0641 18.2495 179.2370 24 E 3.9022 8.3901 117.4740 60.0374 29.5651 179.6429 25 N 4.3517 8.1687 115.9418 56.1208 38.4497 177.7626 26 V 3.5806 7.6637 119.9989 65.7580 31.5291 177.8320 27 E 3.9765 8.0240 117.9164 59.6838 29.2801 179.3094 28 E 3.9700 8.1728 118.4453 59.2167 29.3603 179.5400 29 V 3.4679 8.1611 118.5587 65.7606 31.4730 177.7362 30 A 4.0020 8.0164 120.4647 55.4649 18.1703 179.6429 31 R 3.8953 8.2479 116.6357 59.7753 30.1063 179.3735 32 Q 3.9928 8.4263 117.9337 59.0792 28.6125 178.4818 33 H 4.2676 8.3680 117.5243 59.0411 28.7883 177.5526 34 Q 4.0370 8.4531 119.7839 59.0944 28.3967 179.0745 35 A 4.0044 8.0280 120.1479 55.3165 18.3328 179.3453 36 I 3.8018 8.1196 118.6100 64.6779 36.9900 178.7798 37 L 4.0929 8.0373 118.3117 57.5590 41.5966 178.7941 38 A 4.3161 8.3459 118.2683 52.0128 18.4126 176.7937 39 S 4.6435 7.0694 111.9608 55.2068 64.2081 171.9310 40 P 4.3158 0.0000 0.0000 65.3794 31.0769 176.2993 41 N 4.8310 7.6306 114.0811 50.3726 40.4482 172.8481 42 P 3.9876 0.0000 0.0000 62.5888 31.9861 176.7368 43 N 4.6896 7.8959 118.0521 51.0464 41.2680 175.1938 44 W 4.3954 8.5063 128.9002 59.1260 29.1519 178.2957 45 F 4.2175 8.7311 121.4361 61.3619 38.8609 176.8949 46 D 4.1647 8.3939 118.0812 57.2646 40.6291 178.6651 47 I 3.6149 7.7142 120.2223 64.5446 37.1211 178.3395 48 S 4.1626 8.3233 116.1117 62.0715 62.6498 176.9390 49 Q 3.8558 8.0064 122.0635 58.6624 28.7240 177.4535 50 L 3.8783 8.1575 121.9909 58.4616 41.9964 179.1463 51 L 4.0249 8.0983 118.5988 57.4446 41.5583 179.1318 52 W 4.3798 8.5610 128.6443 60.7543 30.4946 178.0369 53 L 3.8527 8.2573 118.8967 57.9750 41.0436 179.4106 54 M 4.0274 8.1812 118.4521 58.1932 31.8272 178.5463 55 A 3.8813 8.0295 121.0307 55.2533 18.4438 179.2697 56 D 3.9046 7.4744 116.3664 57.2858 41.2224 178.2570 57 I 3.4578 7.7246 120.6986 64.3243 37.0025 178.3354 58 K 3.9084 7.9368 120.2681 59.3012 32.1323 178.5798 59 E 3.8193 8.1890 119.7478 59.5078 29.5615 179.0213 60 T 3.4650 7.9844 115.7276 66.4471 68.5662 176.4335 61 A 4.1296 8.4666 123.0448 55.4496 18.3456 179.2138 62 N 4.2475 7.8293 114.8055 56.9389 38.9861 176.9662 63 E 3.8445 7.8239 119.7413 59.3526 29.3892 179.5733 64 V 3.4058 7.4528 118.3319 65.6592 31.4432 178.1690 65 R 3.8170 7.7419 118.6011 59.1591 29.9262 178.7415 66 K 3.9577 8.0537 118.2451 59.4841 32.0050 179.4490 67 K 4.1076 8.2836 119.1143 59.6318 31.9352 179.4351 68 L 4.0404 8.0947 119.2928 57.5393 41.4366 179.3836 69 K 4.0042 8.1161 119.6794 59.3883 32.0074 178.5629 70 E 3.9400 8.3377 118.8752 59.5744 29.4525 179.2359 71 I 3.7189 7.5166 119.3979 64.6013 37.2560 177.9957 72 E 3.7685 8.6093 120.2838 59.5459 29.2818 178.9598 73 Q 4.0027 8.3976 118.3536 58.6510 28.7234 178.5582 74 S 4.2931 8.2414 116.0179 60.8340 62.4559 176.1608 75 I 3.6128 7.7891 122.5312 64.4789 36.6192 178.0903 76 E 3.9868 8.0125 118.3790 59.4323 29.6773 179.2829 77 Q 4.1554 7.9694 120.1614 60.0416 28.6177 179.0063 78 E 4.0375 7.7057 118.9775 59.4230 30.1064 179.0338 79 E 4.1181 7.9567 120.5227 55.5636 30.3236 175.8935 *83 K 4.0713 8.2755 125.9352 55.9066 33.2189 175.4958 84 S 4.2477 8.3770 120.1567 58.3766 63.5428 174.9536 85 S 4.4461 8.2954 118.1608 57.6722 65.2066 175.3622 86 A 3.9480 8.3095 122.7525 55.3198 18.1668 179.2581 87 D 4.2465 8.0625 116.9713 57.5827 40.9549 178.6443 88 L 3.8167 7.6951 120.2919 58.1639 41.9160 179.2334 89 K 3.9520 7.9585 118.2608 59.4981 31.9982 179.2157 90 I 3.7211 8.1202 120.4917 64.7007 36.9694 178.7304 91 R 3.4641 7.7530 118.6563 58.7785 29.7147 179.3096 92 K 3.9710 8.0131 118.3909 59.3923 32.0058 179.5892 93 R 3.9490 8.2414 118.5295 59.4820 30.0392 179.1200 94 Q 4.0875 8.1489 117.7068 59.2674 28.6901 178.3510 95 H 4.1666 8.6002 119.2916 59.4881 29.8919 177.1194 96 E 4.0277 8.7175 120.7277 59.3271 29.2749 179.0411 97 E 3.9510 8.5038 119.4831 59.2855 29.7780 178.7099 98 L 4.0148 8.3592 119.4614 57.8454 41.6110 179.3190 99 E 4.0362 8.4978 118.6891 59.5810 29.4377 179.2905 100 R 3.9602 8.0771 117.9514 59.6957 30.3388 179.2664 101 K 4.0234 8.2505 117.7776 59.2921 31.9996 179.3697 102 F 4.4386 8.3983 121.0564 61.4167 39.4003 177.3864 103 R 3.6847 8.1942 117.8746 59.2117 29.8329 178.5683 104 E 3.9411 8.3678 119.2817 59.3551 29.6363 179.3339 105 V 3.6856 7.7100 118.6630 64.9921 31.5318 178.3058 106 M 4.1346 8.0172 119.3666 57.5956 31.6763 178.4736 107 K 3.8328 8.4322 120.4176 59.5814 32.4009 178.2312 108 E 3.9236 8.3092 119.5130 59.5399 29.5910 178.2169 109 Y 4.2820 7.9663 119.3633 60.8293 38.8151 177.7243 110 N 4.0382 8.5595 117.5633 56.2932 38.6085 177.1465 111 A 3.9779 8.2793 122.3760 55.6385 18.4433 179.8787 112 T 3.9004 8.0359 114.2042 66.8218 68.5220 177.0981 113 Q 4.0601 7.8456 119.7942 58.8585 28.7053 178.6430 114 Q 3.9783 8.3779 119.4887 58.9788 28.6821 178.3243 115 D 4.3340 8.2610 120.0548 57.5846 40.9153 178.3458 116 Y 3.8762 7.7707 119.2140 60.6673 38.9148 177.8219 117 R 3.7462 8.0751 119.5830 59.4179 30.0851 178.2970 118 K 3.8229 7.9050 118.9573 59.6491 32.2428 178.7910 119 R 3.8127 8.0474 118.3307 59.3412 29.8985 178.8451 120 A 3.6821 7.9758 120.5411 55.0361 18.2690 179.7153 121 R 3.7481 7.6700 116.7065 59.3092 29.9234 178.7487 122 K 3.8408 7.7647 117.2866 59.4437 32.2929 178.8648 123 R 3.9589 8.1624 119.0897 59.5781 29.8160 177.6954 124 N 4.1609 8.0702 115.6193 57.0936 38.8803 176.2605 125 L 4.2304 7.7946 120.9111 57.2204 41.8844 178.0128 126 E 4.3426 8.1316 122.9831 58.1529 29.9576 180.9534 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 R 8.11 4.43 0.00 1.95 2.01 0.00 3.32 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 2 D 8.29 4.34 0.00 2.80 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 3 K 8.65 3.98 0.00 1.76 1.82 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.10 7.81 4 F 8.25 4.98 0.00 3.14 2.97 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 0.00 0.00 0.00 5 M 8.06 4.10 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.54 0.00 6 D 8.31 4.55 0.00 2.97 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.18 3.99 0.00 2.34 2.25 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 2.42 2.44 0.00 8 F 8.19 4.09 0.00 3.07 2.95 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 9 F 8.60 4.15 0.00 3.30 2.93 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 10 K 8.20 4.01 0.00 1.78 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 11 Q 8.24 4.13 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 12 V 7.52 3.40 1.98 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 1.07 0.00 0.00 0.14 0.00 0.00 13 E 8.13 3.90 0.00 2.11 1.91 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 2.45 2.42 0.00 14 E 8.12 3.68 0.00 1.89 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 2.01 1.89 0.00 15 I 7.74 3.79 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.48 0.83 0.00 0.00 16 R 8.13 3.92 0.00 1.96 1.94 0.00 3.20 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 17 Q 8.15 3.95 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 18 Y 7.83 4.43 0.00 3.10 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 19 I 7.81 3.81 2.03 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 1.62 0.75 1.00 0.00 0.00 20 D 8.26 4.37 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.10 4.04 0.00 2.02 2.24 0.00 3.19 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 22 I 7.96 3.64 2.03 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.64 0.81 0.00 0.00 23 A 8.15 3.96 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 24 E 8.39 3.90 0.00 2.24 2.03 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 2.34 2.37 0.00 25 N 8.17 4.35 0.00 2.84 2.74 0.00 0.00 6.76 7.14 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 26 V 7.66 3.58 2.22 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 1.12 0.00 0.00 0.90 0.00 0.00 27 E 8.02 3.98 0.00 2.36 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 2.23 0.00 28 E 8.17 3.97 0.00 2.16 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 2.35 2.33 0.00 29 V 8.16 3.47 2.26 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 0.99 0.00 0.00 0.97 0.00 0.00 30 A 8.02 4.00 1.44 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 0.00 0.00 0.00 31 R 8.25 3.90 0.00 2.04 2.03 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 32 Q 8.43 3.99 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 33 H 8.37 4.27 0.00 3.46 3.48 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.45 4.04 0.00 2.41 2.20 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 2.38 2.27 0.00 35 A 8.03 4.00 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 36 I 8.12 3.80 1.98 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 1.20 0.98 0.00 0.00 37 L 8.04 4.09 0.00 1.65 1.72 0.95 0.47 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 38 A 8.35 4.32 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.07 4.64 0.00 3.84 3.72 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 40 P 0.00 4.32 0.00 2.20 2.17 0.00 3.79 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 1.98 1.99 0.00 41 N 7.63 4.83 0.00 2.69 2.75 0.00 0.00 6.92 8.02 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 42 P 0.00 3.99 0.00 1.21 1.09 0.00 3.56 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 43 N 7.90 4.69 0.00 2.65 2.68 0.00 0.00 7.04 7.95 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 44 W 8.51 4.40 0.00 3.55 3.28 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 45 F 8.73 4.22 0.00 3.21 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 46 D 8.39 4.16 0.00 2.88 2.67 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 0.00 0.00 0.00 0.00 47 I 7.71 3.61 1.96 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.42 1.10 0.00 0.00 48 S 8.32 4.16 0.00 3.82 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 49 Q 8.01 3.86 0.00 1.38 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.16 2.32 0.00 50 L 8.16 3.88 0.00 1.73 1.90 0.81 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.10 4.02 0.00 1.97 1.78 1.00 0.71 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 52 W 8.56 4.38 0.00 3.39 3.22 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 53 L 8.26 3.85 0.00 1.89 1.63 0.91 1.15 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 54 M 8.18 4.03 0.00 2.16 2.27 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 2.86 2.74 0.00 55 A 8.03 3.88 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 7.47 3.90 0.00 2.36 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.72 3.46 1.62 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.42 0.27 0.00 0.00 58 K 7.94 3.91 0.00 1.88 2.01 0.00 1.52 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.45 7.81 59 E 8.19 3.82 0.00 1.93 1.89 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 2.15 2.24 0.00 60 T 7.98 3.46 4.14 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 1.10 0.00 0.00 61 A 8.47 4.13 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.25 0.00 2.95 2.92 0.00 0.00 7.23 8.67 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 E 7.82 3.84 0.00 1.63 1.58 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 2.12 2.17 0.00 64 V 7.45 3.41 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.78 0.00 0.00 65 R 7.74 3.82 0.00 2.13 2.04 0.00 3.34 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.97 0.00 66 K 8.05 3.96 0.00 1.95 1.81 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.58 7.81 67 K 8.28 4.11 0.00 1.89 1.86 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.36 7.81 68 L 8.09 4.04 0.00 1.70 1.72 0.76 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.12 4.00 0.00 1.97 2.04 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 70 E 8.34 3.94 0.00 2.22 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 2.36 0.00 71 I 7.52 3.72 2.16 0.00 0.00 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 1.58 0.84 1.10 0.00 0.00 72 E 8.61 3.77 0.00 1.94 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 2.41 2.28 0.00 73 Q 8.40 4.00 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 74 S 8.24 4.29 0.00 3.82 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 75 I 7.79 3.61 1.93 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 1.40 0.37 0.84 0.00 0.00 76 E 8.01 3.99 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 2.32 2.50 0.00 77 Q 7.97 4.16 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 78 E 7.71 4.04 0.00 2.09 1.91 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 2.26 2.19 0.00 79 E 7.96 4.12 0.00 1.94 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 2.30 2.22 0.00 *83 K 8.28 4.07 0.00 1.77 1.73 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.46 7.81 84 S 8.38 4.25 0.00 3.88 3.75 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 85 S 8.30 4.45 0.00 4.03 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 86 A 8.31 3.95 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 87 D 8.06 4.25 0.00 2.66 2.65 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 0.00 0.00 0.00 0.00 88 L 7.70 3.82 0.00 1.72 1.78 0.82 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.96 3.95 0.00 2.00 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.56 7.81 90 I 8.12 3.72 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.93 1.08 0.00 0.00 91 R 7.75 3.46 0.00 1.67 1.55 0.00 2.21 0.00 0.00 2.57 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 K 8.01 3.97 0.00 1.96 1.85 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.42 7.81 93 R 8.24 3.95 0.00 2.02 2.03 0.00 3.32 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.86 0.00 94 Q 8.15 4.09 0.00 2.56 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.59 2.88 0.00 95 H 8.60 4.17 0.00 3.38 3.53 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.72 4.03 0.00 2.24 2.03 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 2.39 2.46 0.00 97 E 8.50 3.95 0.00 2.07 2.13 0.00 0.00 0.00 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 2.38 0.00 98 L 8.36 4.01 0.00 1.81 1.68 0.89 0.86 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 99 E 8.50 4.04 0.00 2.16 2.06 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 2.26 2.44 0.00 100 R 8.08 3.96 0.00 2.07 2.03 0.00 3.15 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 101 K 8.25 4.02 0.00 2.17 1.92 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.32 7.81 102 F 8.40 4.44 0.00 3.08 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 0.00 103 R 8.19 3.68 0.00 2.12 1.92 0.00 3.30 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 104 E 8.37 3.94 0.00 2.10 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 0.00 2.32 2.33 0.00 105 V 7.71 3.69 2.13 0.00 0.00 0.00 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 0.95 0.00 0.00 106 M 8.02 4.13 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.16 0.00 107 K 8.43 3.83 0.00 1.93 1.91 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.43 7.81 108 E 8.31 3.92 0.00 2.31 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 2.31 2.20 0.00 109 Y 7.97 4.28 0.00 3.09 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 N 8.56 4.04 0.00 2.80 2.76 0.00 0.00 6.94 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.28 3.98 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 0.00 112 T 8.04 3.90 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 1.32 0.00 0.00 113 Q 7.85 4.06 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.20 2.08 0.00 114 Q 8.38 3.98 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 115 D 8.26 4.33 0.00 2.85 2.74 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 0.00 0.00 0.00 0.00 116 Y 7.77 3.88 0.00 2.62 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 0.00 117 R 8.08 3.75 0.00 1.98 2.08 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 118 K 7.91 3.82 0.00 1.83 1.86 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.43 7.81 119 R 8.05 3.81 0.00 1.82 1.86 0.00 3.16 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 120 A 7.98 3.68 0.70 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 0.00 121 R 7.67 3.75 0.00 1.99 2.02 0.00 3.12 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 122 K 7.76 3.84 0.00 1.96 1.81 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.41 7.81 123 R 8.16 3.96 0.00 1.96 2.01 0.00 3.24 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 124 N 8.07 4.16 0.00 2.78 2.98 0.00 0.00 7.37 7.88 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 0.00 125 L 7.79 4.23 0.00 1.82 1.69 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.13 4.34 0.00 2.05 1.71 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 2.22 2.18 0.00 * Residues marked with a * may have inaccurate shift predictions.