1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6779 .5109 .5868 .0239 2 GLY 2 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5872 .4726 .5236 -.0240 3 HIS 3 -.3517 -3.1083 999.9900 999.9900 .6686 -.9305 .6756 .3276 .4726 -.3576 4 HIS 4 .1079 -3.1083 999.9900 999.9900 .6686 -.7773 .6813 .3230 .4723 -.2655 5 HIS 5 -1.4902 -3.1083 999.9900 999.9900 .6686 -1.3100 .6752 .3277 .4725 -.5854 6 HIS 6 -.2681 -3.1083 999.9900 999.9900 .6686 -.9026 .6742 .3330 .4752 -.3401 7 HIS 7 -3.0884 .0128 999.9900 999.9900 .6686 -.8023 .6752 .3281 .4727 -.2807 8 HIS 8 -3.0884 -1.0384 999.9900 999.9900 .6686 -1.1527 .6829 .3225 .4726 -.4906 9 LEU 9 -1.5047 -3.3760 999.9900 999.9900 .9565 -1.3080 .6807 .1513 .3719 -.6184 10 GLU 10 -2.3953 -2.3808 999.9900 -1.0323 .6899 -1.2796 .6819 .5286 .5925 -.6513 11 MET 11 -.6588 -2.5481 999.9900 .9587 .5203 -.4320 .6793 .5279 .5910 -.0868 12 ALA 12 -1.0797 999.9900 999.9900 999.9900 .7458 -.1669 .6626 .3164 .4606 .1613 13 SER 13 -.6926 999.9900 -.7153 999.9900 .6705 -.2458 .6808 .5353 .5959 .0957 14 GLU 14 -1.3743 -2.8418 999.9900 -1.0323 .6899 -1.1396 .6687 .5224 .5833 -.5612 15 GLU 15 -1.1136 -.5163 999.9900 -1.0323 .6899 -.4931 .6740 .5189 .5835 -.1299 16 GLY 16 1.1448 999.9900 999.9900 999.9900 .7883 .9665 .5937 .4754 .5280 .7505 17 GLN 17 -.3854 -1.9601 999.9900 1.3059 .5113 -.1321 .6759 .5305 .5911 .1130 18 VAL 18 -.3909 999.9900 .8055 999.9900 .7810 .3985 .6503 .1211 .3416 .3934 19 ILE 19 -.3198 -1.4255 999.9900 999.9900 .6034 -.3806 .6590 .0482 .3027 -.0869 20 ALA 20 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6658 .3252 .4671 .0717 21 CYS 21 -.3751 999.9900 .1296 999.9900 .9108 .2218 .6757 .3269 .4722 .3336 22 HIS 22 -1.1973 .4588 999.9900 999.9900 .6686 -.0233 .6752 .3152 .4652 .1841 23 THR 23 -.5585 999.9900 -.8810 999.9900 .4476 -.3307 .6545 -.2521 .1256 -.1179 24 VAL 24 .7260 999.9900 -.2457 999.9900 .7810 .4205 .6564 .1151 .3406 .4066 25 GLU 25 .7157 -2.3808 999.9900 1.7325 .6899 .1893 .6759 .5211 .5856 .3257 26 THR 26 .9379 999.9900 .8779 999.9900 .4476 .7545 .6532 -.2520 .1252 .5329 27 TRP 27 .9545 -1.3095 999.9900 999.9900 .9378 .1943 .6774 .1776 .3858 .2875 28 ASN 28 .9310 -1.7113 999.9900 999.9900 .7518 -.0095 .6765 .3862 .5071 .2068 29 GLU 29 .8604 .8225 999.9900 .3501 .6899 .6807 .6759 .5249 .5878 .6540 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6796 .5148 .5834 .1751 31 LEU 31 .8182 -1.6805 999.9900 999.9900 .9565 .0314 .6757 .1320 .3585 .1804 32 GLN 32 .7451 -2.6982 999.9900 1.3059 .5113 -.0340 .6767 .5210 .5859 .1770 33 LYS 33 .8536 -1.5918 999.9900 -.0397 .7460 -.0143 .6779 .1522 .3712 .1083 34 ALA 34 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6630 .3219 .4640 .5668 35 ASN 35 .6990 -3.3254 999.9900 999.9900 .7518 -.6249 .6797 .3856 .5081 -.1619 36 GLU 36 .1449 -1.3804 999.9900 -1.0323 .6899 -.3945 .6760 .5187 .5842 -.0639 37 SER 37 -.0963 999.9900 -.7153 999.9900 .6705 -.0471 .6778 .5350 .5945 .2143 38 LYS 38 -1.3259 -.9951 999.9900 -.0397 .7460 -.3309 .6749 .1567 .3726 -.1175 39 THR 39 -.1996 999.9900 -.8810 999.9900 .4476 -.2110 .6555 -.2424 .1317 -.0440 40 LEU 40 -.1991 -3.3760 999.9900 999.9900 .9565 -.8728 .6724 .1588 .3728 -.3575 41 VAL 41 .3116 999.9900 -.2457 999.9900 .7810 .2823 .6561 .1313 .3500 .3269 42 VAL 42 .4158 999.9900 -1.0788 999.9900 .7810 .0394 .6626 .1271 .3502 .1816 43 VAL 43 -.1306 999.9900 -.2457 999.9900 .7810 .1349 .6620 .1106 .3404 .2355 44 ASP 44 -.2609 -.8657 999.9900 999.9900 .8104 -.1054 .6782 .3831 .5061 .1490 45 PHE 45 -.2560 .2821 999.9900 999.9900 .7573 .2612 .6762 .1023 .3414 .3124 46 THR 46 .2973 999.9900 -.8810 999.9900 .4476 -.0454 .6531 -.2489 .1269 .0536 47 ALA 47 -.5406 999.9900 999.9900 999.9900 .7458 .1026 .6693 .3307 .4718 .3013 48 SER 48 .6980 999.9900 -.7153 999.9900 .6705 .2177 .6766 .5395 .5966 .3738 49 TRP 49 -1.3140 -1.6686 999.9900 999.9900 .9378 -.6816 .6770 .1954 .3960 -.2345 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6796 .3209 .4704 -.1536 51 GLY 51 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .3165 .4764 .4053 -.1779 52 PRO 52 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .5344 -.3661 .0091 .0532 53 CYS 53 .4024 -1.5342 999.9900 .2382 .9108 .0043 .6705 .3099 .4602 .1663 54 ARG 54 .6041 .8024 999.9900 .6901 .8581 .7289 .6793 .5246 .5891 .6927 55 PHE 55 .1779 -.8691 999.9900 999.9900 .7573 .0220 .6822 .0982 .3416 .1693 56 ILE 56 -1.3063 -3.0500 999.9900 999.9900 .6034 -1.2510 .6536 .0531 .3033 -.6092 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4805 .3193 .3865 .4773 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5560 -.3642 .0192 -.1181 59 PHE 59 .4032 -1.6164 999.9900 999.9900 .7573 -.1519 .6727 .0958 .3362 .0625 60 PHE 60 .6090 .3244 999.9900 999.9900 .7573 .5636 .6720 .1105 .3445 .4946 61 ALA 61 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6637 .3315 .4699 .5976 62 ASP 62 1.3227 -1.5978 999.9900 999.9900 .8104 .1785 .6794 .3911 .5112 .3212 63 LEU 63 .4996 -2.2115 999.9900 999.9900 .9565 -.2518 .6787 .1454 .3676 .0137 64 ALA 64 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6722 .3168 .4649 .5246 65 LYS 65 .4938 -1.9682 999.9900 .2495 .7460 -.0459 .6821 .1551 .3747 .0868 66 LYS 66 .6780 -.9951 999.9900 .1140 .7460 .1314 .6763 .1528 .3709 .2123 67 LEU 67 -2.8468 -3.3760 999.9900 999.9900 .9565 -1.7554 .4968 .1515 .2954 -.9236 68 PRO 68 -1.9661 999.9900 999.9900 999.9900 .4496 -.7582 .5531 -.3595 .0207 -.3307 69 ASN 69 -3.4329 -2.0766 999.9900 999.9900 .7518 -1.5859 .6803 .3893 .5105 -.7376 70 VAL 70 -.3682 999.9900 -.2457 999.9900 .7810 .0557 .6548 .1238 .3451 .1892 71 LEU 71 -.1775 -.2454 999.9900 999.9900 .9565 .1778 .6810 .1637 .3793 .2756 72 PHE 72 .1161 -1.2830 999.9900 999.9900 .7573 -.1365 .6735 .0949 .3360 .0718 73 LEU 73 -.7369 -2.9612 999.9900 999.9900 .9565 -.9138 .6731 .1481 .3668 -.3841 74 LYS 74 -.1919 -2.9005 999.9900 -.4035 .7460 -.6307 .6784 .1604 .3762 -.3307 75 VAL 75 .3116 999.9900 .9224 999.9900 .7810 .6717 .6596 .1107 .3394 .5571 76 ASP 76 .0771 -3.7306 999.9900 999.9900 .8104 -.9477 .6732 .3765 .5001 -.3587 77 THR 77 .4802 999.9900 .4804 999.9900 .4476 .4694 .6595 -.2474 .1305 .3640 78 ASP 78 .2251 -2.6388 999.9900 999.9900 .8104 -.5344 .6759 .3834 .5053 -.1088 79 GLU 79 -1.9801 -1.5476 999.9900 1.1588 .6899 -.4198 .6737 .5237 .5862 -.0803 80 LEU 80 -1.8089 -2.0611 999.9900 999.9900 .9565 -.9712 .6685 .1633 .3738 -.4163 81 LYS 81 .6780 -2.1617 999.9900 .1731 .7460 -.0783 .6797 .1441 .3673 .0617 82 SER 82 .9076 999.9900 -.7153 999.9900 .6705 .2876 .6721 .5276 .5878 .4125 83 VAL 83 .2188 999.9900 .9747 999.9900 .7810 .6582 .6627 .1217 .3471 .5518 84 ALA 84 .8241 999.9900 999.9900 999.9900 .7458 .7850 .6657 .3142 .4606 .6374 85 SER 85 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6762 .5322 .5922 .4057 86 ASP 86 1.3227 -2.4630 999.9900 999.9900 .8104 -.1100 .6799 .3860 .5085 .1472 87 TRP 87 -1.1250 1.1473 999.9900 999.9900 .9378 .3200 .6723 .1882 .3899 .3641 88 ALA 88 -2.3529 999.9900 999.9900 999.9900 .7458 -.8035 .6672 .3068 .4570 -.1582 89 ILE 89 -1.5964 -.9493 999.9900 999.9900 .6034 -.6474 .6558 .0422 .2979 -.2489 90 GLN 90 -.9283 -2.6982 999.9900 1.3059 .5113 -.4523 .6771 .5198 .5854 -.1021 91 ALA 91 -1.0373 999.9900 999.9900 999.9900 .7458 -.1458 .6648 .3120 .4590 .1713 92 MET 92 -.6588 -1.3058 999.9900 .9587 -1.9874 -.7484 .4933 .5206 .5092 -.3299 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5441 -.3786 .0058 .2587 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6523 -.2521 .1248 .0915 95 PHE 95 -.2255 .2658 999.9900 999.9900 .7573 .2659 .6738 .1099 .3449 .3163 96 MET 96 -.2520 -2.0676 999.9900 .9587 .5203 -.2101 .6772 .5132 .5815 .0583 97 PHE 97 -.1586 -3.6820 999.9900 999.9900 .7573 -1.0278 .6791 .0976 .3399 -.4613 98 LEU 98 -1.1512 -3.3760 999.9900 999.9900 .9565 -1.1902 .6768 .1483 .3685 -.5491 99 LYS 99 -.6960 .7597 999.9900 -.4035 .7460 .0005 .6777 .1635 .3778 .1206 100 GLU 100 -1.2742 .5254 999.9900 -1.0323 .6899 -.2728 .6742 .5204 .5845 .0172 101 GLY 101 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5665 .4598 .5073 .7321 102 LYS 102 -.3543 -.6840 999.9900 .1140 .7460 -.0128 .6764 .1569 .3734 .1099 103 ILE 103 -1.3252 -.2084 999.9900 999.9900 .6034 -.3100 .6588 .0422 .2991 -.0458 104 LEU 104 -1.9234 -1.4497 999.9900 999.9900 .9565 -.8055 .6792 .1526 .3720 -.3170 105 ASP 105 -.6293 -2.3194 999.9900 999.9900 .8104 -.7128 .6749 .3797 .5027 -.2167 106 LYS 106 -.6145 -.1469 999.9900 -.4035 .7460 -.1645 .6747 .1675 .3788 .0028 107 VAL 107 .0764 999.9900 .6672 999.9900 .7810 .5082 .6568 .1135 .3399 .4590 108 VAL 108 .3894 999.9900 -1.0788 999.9900 .7810 .0306 .6681 .1132 .3444 .1746 109 GLY 109 -1.0419 999.9900 999.9900 999.9900 .7883 -.1268 .5776 .4695 .5175 .1984 110 ALA 110 -1.5027 999.9900 999.9900 999.9900 .7458 -.3784 .6636 .3182 .4621 .0562 111 LYS 111 -.9887 -1.3520 999.9900 -.4035 .7460 -.4803 .6752 .1596 .3744 -.2238 112 LYS 112 1.0838 -1.9682 999.9900 -.4035 .7460 -.1891 .6790 .1559 .3739 -.0158 113 ASP 113 1.0815 -.9533 999.9900 999.9900 .8104 .3129 .6823 .3875 .5103 .4017 114 GLU 114 .8733 -.7859 999.9900 -1.0323 .6899 -.0638 .6738 .5215 .5850 .1567 115 LEU 115 .2355 -3.3760 999.9900 999.9900 .9565 -.7280 .6813 .1502 .3715 -.2705 116 GLN 116 .1632 -1.7668 999.9900 1.3059 .5113 .0534 .6725 .5263 .5872 .2354 117 SER 117 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6717 .5288 .5883 .4063 118 THR 118 .7717 999.9900 -.8810 999.9900 .4476 .1128 .6545 -.2482 .1279 .1489 119 ILE 119 .6852 -.1471 999.9900 999.9900 .6034 .3805 .6574 .0299 .2914 .3657 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6651 .3145 .4606 .5655 121 LYS 121 1.0429 -2.9005 999.9900 -.4035 .7460 -.3837 .6803 .1600 .3768 -.1540 122 HIS 122 .1567 .6357 999.9900 999.9900 .6686 .4870 .6809 .3188 .4697 .4921 123 LEU 123 -.5813 -3.3760 999.9900 999.9900 .9565 -1.0002 .6737 .1516 .3691 -.4351 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6619 .2659 .4356 .4639 Means: -.2699 -1.6605 -.2908 .1210 .7026 -.1970 .6585 .2399 .4148 .0534 2.00 analyzed_14