1 MET 1 999.9900 -1.1064 999.9900 .9587 .5203 .1242 .6743 .5075 .5834 .3109 2 GLY 2 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5842 .4785 .5255 -.1518 3 HIS 3 -3.0884 -.4813 999.9900 999.9900 .6686 -.9670 .6744 .3199 .4676 -.3814 4 HIS 4 -3.0884 -1.7284 999.9900 999.9900 .6686 -1.3827 .6777 .3264 .4728 -.6288 5 HIS 5 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6754 .3346 .4766 -.9036 6 HIS 6 -3.0884 -2.4183 999.9900 999.9900 .6686 -1.6127 .6760 .3317 .4752 -.7661 7 HIS 7 -3.0884 -2.4183 999.9900 999.9900 .6686 -1.6127 .6719 .3348 .4753 -.7663 8 HIS 8 -3.0884 -2.4183 999.9900 999.9900 .6686 -1.6127 .6798 .3186 .4691 -.7679 9 LEU 9 -3.7702 -2.2115 999.9900 999.9900 .9565 -1.6750 .6794 .1568 .3746 -.8378 10 GLU 10 -2.3953 .3534 999.9900 1.1588 .6899 -.0483 .6763 .5256 .5884 .1681 11 MET 11 -2.6662 -1.4323 999.9900 .9587 .5203 -.6549 .6762 .5259 .5885 -.2362 12 ALA 12 -2.2766 999.9900 999.9900 999.9900 .7458 -.7654 .6650 .3156 .4612 -.1375 13 SER 13 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6769 .5420 .5982 -.5171 14 GLU 14 -3.2255 -1.4588 999.9900 -1.0323 .6899 -1.2567 .6745 .5181 .5833 -.6390 15 GLU 15 -3.2255 -2.3808 999.9900 -1.0323 .6899 -1.4872 .6735 .5187 .5832 -.7928 16 GLY 16 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5834 .4581 .5138 .7153 17 GLN 17 -.6665 -2.6982 999.9900 1.3059 .5113 -.3869 .6829 .5171 .5862 -.0579 18 VAL 18 -.6656 999.9900 -.5532 999.9900 .7810 -.1459 .6604 .1194 .3448 .0684 19 ILE 19 -.4647 -1.4255 999.9900 999.9900 .6034 -.4289 .6551 .0477 .3008 -.1168 20 ALA 20 -1.0624 999.9900 999.9900 999.9900 .7458 -.1583 .6698 .3199 .4657 .1683 21 CYS 21 -.3751 999.9900 .1296 999.9900 .9108 .2218 .6775 .3132 .4650 .3312 22 HIS 22 -1.1973 .4588 999.9900 999.9900 .6686 -.0233 .6746 .3379 .4782 .1885 23 THR 23 -.8088 999.9900 .2916 999.9900 .4476 -.0232 .6621 -.2692 .1188 .0647 24 VAL 24 .3707 999.9900 -1.0788 999.9900 .7810 .0243 .6589 .1267 .3485 .1717 25 GLU 25 1.0761 -.8169 999.9900 -1.0323 .6899 -.0208 .6763 .5273 .5894 .1867 26 THR 26 .1421 999.9900 -.8810 999.9900 .4476 -.0971 .6602 -.2599 .1235 .0218 27 TRP 27 .9545 .0052 999.9900 999.9900 .9378 .6325 .6780 .1928 .3950 .5537 28 ASN 28 1.0488 -1.1653 999.9900 999.9900 .7518 .2118 .6720 .3741 .4982 .3363 29 GLU 29 .7157 -1.9198 999.9900 -1.0323 .6899 -.3866 .6829 .5231 .5897 -.0568 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6737 .5211 .5847 .1751 31 LEU 31 .9913 -1.6805 999.9900 999.9900 .9565 .0891 .6800 .1518 .3718 .2198 32 GLN 32 1.0064 -.3095 999.9900 1.3059 .5113 .6285 .6714 .5267 .5870 .6187 33 LYS 33 1.2214 -.5490 999.9900 -.0770 .7460 .2529 .6798 .1541 .3731 .2998 34 ALA 34 -.1584 999.9900 999.9900 999.9900 .7458 .2937 .6684 .3250 .4681 .3952 35 ASN 35 -.1896 -1.1653 999.9900 999.9900 .7518 -.2010 .6762 .3853 .5065 .0917 36 GLU 36 .1449 -1.7714 999.9900 -1.0323 .6899 -.4922 .6790 .5335 .5941 -.1261 37 SER 37 -.3643 999.9900 -.7153 999.9900 .6705 -.1364 .6773 .5368 .5954 .1610 38 LYS 38 -1.2247 -1.1755 999.9900 -.4035 .7460 -.4922 .6797 .1556 .3740 -.2323 39 THR 39 -.1996 999.9900 -.8810 999.9900 .4476 -.2110 .6609 -.2612 .1230 -.0467 40 LEU 40 -.2181 -3.3760 999.9900 999.9900 .9565 -.8792 .6795 .1664 .3802 -.3583 41 VAL 41 .0764 999.9900 -1.0788 999.9900 .7810 -.0738 .6508 .1321 .3482 .1123 42 VAL 42 .4077 999.9900 -1.0788 999.9900 .7810 .0366 .6623 .1249 .3488 .1794 43 VAL 43 -.3818 999.9900 .4980 999.9900 .7810 .2991 .6595 .1295 .3504 .3373 44 ASP 44 -.3633 .3723 999.9900 999.9900 .8104 .2731 .6796 .3790 .5043 .3756 45 PHE 45 -.2457 -.5729 999.9900 999.9900 .7573 -.0204 .6745 .1054 .3425 .1437 46 THR 46 -.0676 999.9900 -.8810 999.9900 .4476 -.1670 .6611 -.2460 .1320 -.0172 47 ALA 47 -.5406 999.9900 999.9900 999.9900 .7458 .1026 .6659 .3306 .4703 .3004 48 SER 48 .6980 999.9900 -.7153 999.9900 .6705 .2177 .6805 .5375 .5971 .3742 49 TRP 49 -.7928 -3.3859 999.9900 999.9900 .9378 -1.0803 .6717 .1851 .3879 -.4768 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6776 .2977 .4560 -.1578 51 GLY 51 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .3413 .4683 .4119 -.1737 52 PRO 52 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5552 -.3638 .0191 -.1182 53 CYS 53 .4024 -2.0054 999.9900 .2382 .9108 -.1135 .6802 .3187 .4693 .0908 54 ARG 54 .6041 -.4762 999.9900 .1593 .8581 .2609 .6710 .5171 .5812 .3561 55 PHE 55 -.3554 .0348 999.9900 999.9900 .7573 .1456 .6764 .1136 .3481 .2454 56 ILE 56 -1.3063 -3.0500 999.9900 999.9900 .6034 -1.2510 .6620 .0321 .2945 -.6118 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4880 .3183 .3890 .4789 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5534 -.3402 .0322 -.1127 59 PHE 59 1.0502 -1.8165 999.9900 999.9900 .7573 -.0030 .6825 .0980 .3415 .1543 60 PHE 60 .6090 .6387 999.9900 999.9900 .7573 .6683 .6770 .0860 .3322 .5536 61 ALA 61 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6694 .3118 .4608 .5227 62 ASP 62 1.3227 -1.0260 999.9900 999.9900 .8104 .3690 .6804 .3908 .5115 .4357 63 LEU 63 .8786 -2.1315 999.9900 999.9900 .9565 -.0988 .6748 .1413 .3636 .1039 64 ALA 64 .6648 999.9900 999.9900 999.9900 .7458 .7053 .6685 .3169 .4634 .5990 65 LYS 65 .0195 .0465 999.9900 -.4035 .7460 .0010 .6834 .1546 .3750 .1204 66 LYS 66 .0419 -.7093 999.9900 -.4035 .7460 -.1457 .6745 .1549 .3714 .0144 67 LEU 67 -1.7747 -2.9612 999.9900 999.9900 .9565 -1.2598 .4879 .1649 .2995 -.6253 68 PRO 68 -.1497 999.9900 999.9900 999.9900 .4496 .1500 .5472 -.3605 .0177 .1217 69 ASN 69 .9310 -3.3254 999.9900 999.9900 .7518 -.5475 .6751 .3771 .5012 -.1181 70 VAL 70 -.3682 999.9900 .8055 999.9900 .7810 .4061 .6559 .1131 .3393 .3975 71 LEU 71 -.0766 -3.3760 999.9900 999.9900 .9565 -.8320 .6699 .1555 .3698 -.3341 72 PHE 72 .1097 -1.0645 999.9900 999.9900 .7573 -.0658 .6754 .1008 .3402 .1157 73 LEU 73 -.6392 -.9257 999.9900 999.9900 .9565 -.2028 .6824 .1624 .3791 .0473 74 LYS 74 -.3161 -1.6955 999.9900 -.4035 .7460 -.4145 .6837 .1499 .3723 -.1770 75 VAL 75 .1158 999.9900 .1416 999.9900 .7810 .3462 .6508 .1276 .3456 .3634 76 ASP 76 -.3017 -2.8653 999.9900 999.9900 .8104 -.7856 .6739 .3772 .5008 -.2611 77 THR 77 .4802 999.9900 .6346 999.9900 .4476 .5208 .6558 -.2472 .1290 .3942 78 ASP 78 .2994 -2.4630 999.9900 999.9900 .8104 -.4511 .6758 .3797 .5031 -.0595 79 GLU 79 -1.6450 -2.3808 999.9900 .3501 .6899 -.7464 .6695 .5172 .5807 -.2998 80 LEU 80 -1.8830 -3.3760 999.9900 999.9900 .9565 -1.4342 .6770 .1551 .3726 -.6941 81 LYS 81 .9480 -1.5918 999.9900 .1140 .7460 .0660 .6781 .1564 .3738 .1664 82 SER 82 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6785 .5397 .5975 .4720 83 VAL 83 .8065 999.9900 -1.0788 999.9900 .7810 .1696 .6576 .1113 .3389 .2555 84 ALA 84 .6648 999.9900 999.9900 999.9900 .7458 .7053 .6609 .3055 .4536 .5942 85 SER 85 1.0911 999.9900 .3727 999.9900 .6705 .7114 .6813 .5344 .5956 .6700 86 ASP 86 .9343 -.1779 999.9900 999.9900 .8104 .5223 .6786 .3824 .5058 .5256 87 TRP 87 -.3273 -1.9067 999.9900 999.9900 .9378 -.4321 .6772 .1770 .3854 -.0884 88 ALA 88 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6709 .3239 .4685 -.4310 89 ILE 89 -.8627 -.7120 999.9900 999.9900 .6034 -.3237 .6537 .0395 .2954 -.0556 90 GLN 90 -1.4152 -1.9601 999.9900 1.3059 .5113 -.3895 .6806 .5223 .5883 -.0592 91 ALA 91 -1.0624 999.9900 999.9900 999.9900 .7458 -.1583 .6655 .3152 .4612 .1660 92 MET 92 -.8637 -.2630 999.9900 .9587 -1.9874 -.5389 .4963 .5192 .5097 -.1900 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5616 -.3629 .0223 .2670 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6573 -.2438 .1317 .0942 95 PHE 95 -.2255 .2658 999.9900 999.9900 .7573 .2659 .6772 .0995 .3402 .3149 96 MET 96 -.2142 -2.0676 999.9900 .9587 .5203 -.2007 .6743 .5110 .5791 .0638 97 PHE 97 -.8057 -4.3038 999.9900 999.9900 .7573 -1.4507 .6754 .1069 .3438 -.7140 98 LEU 98 -1.2966 -3.3760 999.9900 999.9900 .9565 -1.2387 .6763 .1645 .3777 -.5751 99 LYS 99 -.4529 -.2831 999.9900 .1731 .7460 .0712 .6725 .1561 .3713 .1692 100 GLU 100 -1.4621 -.9574 999.9900 -1.0323 .6899 -.6905 .6762 .5168 .5832 -.2615 101 GLY 101 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5789 .4691 .5179 .7375 102 LYS 102 -.3543 -1.0359 999.9900 .2495 .7460 -.0290 .6708 .1577 .3715 .0976 103 ILE 103 -1.3252 -2.6526 999.9900 999.9900 .6034 -1.1248 .6561 .0393 .2963 -.5358 104 LEU 104 -2.8468 -.9670 999.9900 999.9900 .9565 -.9524 .6793 .1521 .3718 -.4052 105 ASP 105 -1.0188 -.7502 999.9900 999.9900 .8104 -.3195 .6819 .3932 .5135 .0233 106 LYS 106 -.4160 -1.5918 999.9900 -.4035 .7460 -.4138 .6802 .1640 .3791 -.1750 107 VAL 107 -.0463 999.9900 .3968 999.9900 .7810 .3772 .6507 .1254 .3443 .3815 108 VAL 108 .4158 999.9900 -1.0788 999.9900 .7810 .0394 .6551 .1234 .3449 .1793 109 GLY 109 -.1011 999.9900 999.9900 999.9900 .7883 .3436 .5772 .4623 .5134 .4317 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6664 .3149 .4614 .0693 111 LYS 111 -.9887 -1.5918 999.9900 -.4035 .7460 -.5283 .6777 .1398 .3639 -.2606 112 LYS 112 1.2214 -1.8181 999.9900 -.0397 .7460 .0140 .6736 .1593 .3736 .1290 113 ASP 113 .6354 -.1523 999.9900 999.9900 .8104 .4311 .6764 .3847 .5062 .4709 114 GLU 114 .6116 -1.3104 999.9900 .3501 .6899 .0853 .6746 .5152 .5817 .2552 115 LEU 115 .2355 -2.4128 999.9900 999.9900 .9565 -.4069 .6674 .1593 .3710 -.0788 116 GLN 116 .1632 -1.3011 999.9900 1.3059 .5113 .1698 .6836 .5262 .5918 .3148 117 SER 117 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6788 .5297 .5918 .4058 118 THR 118 .7717 999.9900 .2916 999.9900 .4476 .5036 .6635 -.2521 .1294 .3845 119 ILE 119 .6852 -1.4972 999.9900 999.9900 .6034 -.0695 .6534 .0329 .2915 .0955 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6722 .3213 .4675 .5689 121 LYS 121 1.0429 -2.9005 999.9900 -.0397 .7460 -.2382 .6708 .1607 .3732 -.0514 122 HIS 122 .1567 .6357 999.9900 999.9900 .6686 .4870 .6762 .3204 .4687 .4915 123 LEU 123 -.3299 -3.3760 999.9900 999.9900 .9565 -.9165 .6769 .1505 .3698 -.3844 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6586 .2482 .4241 .4534 Means: -.4439 -1.5599 -.3952 .0596 .7026 -.2446 .6591 .2399 .4151 .0243 2.00 analyzed_14