1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6730 .5123 .5853 .0232 2 GLY 2 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5798 .4769 .5226 -.4103 3 HIS 3 -3.0884 -1.5062 999.9900 999.9900 .6686 -1.3087 .6750 .3244 .4705 -.5853 4 HIS 4 -1.6168 -3.1083 999.9900 999.9900 .6686 -1.3522 .6718 .3203 .4667 -.6129 5 HIS 5 -.2950 -3.1083 999.9900 999.9900 .6686 -.9116 .6785 .3311 .4759 -.3450 6 HIS 6 -1.4902 -2.4183 999.9900 999.9900 .6686 -1.0800 .6755 .3287 .4732 -.4471 7 HIS 7 -.1922 -2.0147 999.9900 999.9900 .6686 -.5128 .6783 .3206 .4697 -.1079 8 HIS 8 -1.6168 -3.1083 999.9900 999.9900 .6686 -1.3522 .6790 .3286 .4746 -.6098 9 LEU 9 -.9795 -.8778 999.9900 999.9900 .9565 -.3003 .6735 .1461 .3659 -.0162 10 GLU 10 -.9729 -1.9198 999.9900 -1.0323 .6899 -.8088 .6750 .5181 .5835 -.3403 11 MET 11 -.5049 -1.5870 999.9900 .9587 .5203 -.1532 .6751 .5043 .5755 .0944 12 ALA 12 -1.6032 999.9900 999.9900 999.9900 .7458 -.4287 .6690 .3222 .4667 .0334 13 SER 13 -3.2405 999.9900 1.0592 999.9900 .6705 -.5036 .6794 .5276 .5909 -.0607 14 GLU 14 -1.6450 -2.1111 999.9900 -1.0323 .6899 -1.0246 .6734 .5283 .5888 -.4828 15 GLU 15 -2.8104 -2.8418 999.9900 1.1588 .6899 -.9509 .6763 .5279 .5898 -.4332 16 GLY 16 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5699 .4648 .5115 .7342 17 GLN 17 -.6665 -1.2219 999.9900 1.3059 .5113 -.0178 .6810 .5216 .5880 .1886 18 VAL 18 -.1817 999.9900 -.2457 999.9900 .7810 .1179 .6600 .1376 .3553 .2302 19 ILE 19 -.9523 -1.9342 999.9900 999.9900 .6034 -.7610 .6569 .0357 .2945 -.3181 20 ALA 20 -.7843 999.9900 999.9900 999.9900 .7458 -.0193 .6675 .3212 .4655 .2375 21 CYS 21 -.5218 999.9900 .1296 999.9900 .9108 .1729 .6682 .3124 .4607 .2999 22 HIS 22 -.7145 1.1207 999.9900 999.9900 .6686 .3583 .6785 .3269 .4734 .4161 23 THR 23 -.5585 999.9900 -.8810 999.9900 .4476 -.3307 .6613 -.2434 .1335 -.1148 24 VAL 24 -.2793 999.9900 -1.0788 999.9900 .7810 -.1923 .6583 .1301 .3502 .0423 25 GLU 25 .8733 -2.1111 999.9900 -1.0323 .6899 -.3951 .6738 .5273 .5884 -.0632 26 THR 26 .8748 999.9900 .8779 999.9900 .4476 .7334 .6602 -.2440 .1327 .5233 27 TRP 27 .3500 -2.6463 999.9900 999.9900 .9378 -.4528 .6797 .1888 .3934 -.0980 28 ASN 28 1.0488 -2.3357 999.9900 999.9900 .7518 -.1784 .6773 .3734 .5000 .1031 29 GLU 29 .8604 .0298 999.9900 -1.0323 .6899 .1369 .6698 .5256 .5857 .2905 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6799 .5190 .5860 .1758 31 LEU 31 .8182 -3.3760 999.9900 999.9900 .9565 -.5337 .6737 .1609 .3746 -.1533 32 GLN 32 .7451 -.5092 999.9900 2.7911 .5113 .8846 .6786 .5236 .5882 .7901 33 LYS 33 .8536 .3782 999.9900 .3546 .7460 .5374 .6816 .1654 .3805 .5049 34 ALA 34 -.1584 999.9900 999.9900 999.9900 .7458 .2937 .6618 .3173 .4608 .3916 35 ASN 35 .6990 -2.0766 999.9900 999.9900 .7518 -.2086 .6775 .3820 .5051 .0868 36 GLU 36 .1449 -.8493 999.9900 -1.0323 .6899 -.2617 .6774 .5313 .5922 .0270 37 SER 37 -.6681 999.9900 -.7153 999.9900 .6705 -.2376 .6764 .5435 .5989 .1014 38 LYS 38 -1.3259 -1.1755 999.9900 -.4035 .7460 -.5125 .6751 .1526 .3703 -.2478 39 THR 39 -.6341 999.9900 -.8810 999.9900 .4476 -.3558 .6555 -.2501 .1272 -.1324 40 LEU 40 -.1625 -2.7185 999.9900 999.9900 .9565 -.6415 .6767 .1491 .3690 -.2197 41 VAL 41 .1158 999.9900 -1.0788 999.9900 .7810 -.0606 .6547 .1148 .3398 .1175 42 VAL 42 .3894 999.9900 .5873 999.9900 .7810 .5859 .6628 .1120 .3415 .5065 43 VAL 43 -.1306 999.9900 -1.0788 999.9900 .7810 -.1428 .6549 .1304 .3490 .0714 44 ASP 44 -.2609 -.5059 999.9900 999.9900 .8104 .0145 .6739 .3819 .5036 .2199 45 PHE 45 -.2560 .2821 999.9900 999.9900 .7573 .2612 .6822 .1077 .3471 .3147 46 THR 46 -.2075 999.9900 -.8810 999.9900 .4476 -.2137 .6534 -.2624 .1192 -.0500 47 ALA 47 -.7246 999.9900 999.9900 999.9900 .7458 .0106 .6652 .3275 .4682 .2534 48 SER 48 .6980 999.9900 -.7153 999.9900 .6705 .2177 .6793 .5322 .5935 .3729 49 TRP 49 -.7928 -3.3859 999.9900 999.9900 .9378 -1.0803 .6787 .1930 .3954 -.4738 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6766 .3227 .4701 -.1538 51 GLY 51 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .3348 .4712 .4106 -.0123 52 PRO 52 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .5468 -.3801 .0061 .0528 53 CYS 53 .4024 -1.5342 999.9900 .2382 .9108 .0043 .6766 .3122 .4640 .1677 54 ARG 54 .6041 -.3536 999.9900 .1593 .8581 .2855 .6817 .5225 .5889 .3759 55 PHE 55 .1779 -.8691 999.9900 999.9900 .7573 .0220 .6795 .1016 .3424 .1694 56 ILE 56 -1.5441 -2.6526 999.9900 999.9900 .6034 -1.1978 .6548 .0372 .2945 -.5803 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4840 .3146 .3852 .4770 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5455 -.4010 -.0066 -.1299 59 PHE 59 .4032 -1.6164 999.9900 999.9900 .7573 -.1519 .6767 .1002 .3404 .0642 60 PHE 60 .6090 -2.0028 999.9900 999.9900 .7573 -.2122 .6746 .0950 .3365 .0266 61 ALA 61 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6637 .3144 .4600 .5219 62 ASP 62 1.0149 -1.5978 999.9900 999.9900 .8104 .0759 .6765 .3850 .5064 .2578 63 LEU 63 .4996 -2.4128 999.9900 999.9900 .9565 -.3189 .6710 .1435 .3633 -.0284 64 ALA 64 .0470 999.9900 999.9900 999.9900 .7458 .3964 .6656 .3249 .4668 .4458 65 LYS 65 .4938 -1.9682 999.9900 -.4035 .7460 -.3071 .6736 .1553 .3713 -.1009 66 LYS 66 .6780 -.3112 999.9900 1.0171 .7460 .6294 .6716 .1613 .3739 .5686 67 LEU 67 -1.9234 -2.3037 999.9900 999.9900 .9565 -1.0902 .4971 .1621 .3017 -.5223 68 PRO 68 -.5342 999.9900 999.9900 999.9900 .4496 -.0423 .5519 -.3788 .0090 .0221 69 ASN 69 .1214 -1.4522 999.9900 999.9900 .7518 -.1930 .6740 .3823 .5038 .0955 70 VAL 70 -.3682 999.9900 -.0276 999.9900 .7810 .1284 .6579 .1259 .3476 .2338 71 LEU 71 -.0792 -2.7185 999.9900 999.9900 .9565 -.6137 .6762 .1536 .3713 -.2023 72 PHE 72 .1161 -1.2830 999.9900 999.9900 .7573 -.1365 .6811 .0962 .3399 .0735 73 LEU 73 -.5127 -2.3037 999.9900 999.9900 .9565 -.6200 .6792 .1605 .3766 -.2041 74 LYS 74 -.3609 -1.9682 999.9900 -.4035 .7460 -.4780 .6804 .1726 .3842 -.2196 75 VAL 75 .1158 999.9900 .8055 999.9900 .7810 .5674 .6635 .1289 .3517 .4989 76 ASP 76 -.1930 -3.7306 999.9900 999.9900 .8104 -1.0377 .6720 .3840 .5040 -.4114 77 THR 77 -.1166 999.9900 .9776 999.9900 .4476 .4362 .6558 -.2444 .1307 .3440 78 ASP 78 1.1359 -.7868 999.9900 999.9900 .8104 .3865 .6736 .3677 .4952 .4402 79 GLU 79 -1.6450 -1.3804 999.9900 .3501 .6899 -.4963 .6803 .5221 .5880 -.1305 80 LEU 80 -2.0617 -2.0611 999.9900 999.9900 .9565 -1.0554 .6764 .1466 .3673 -.4686 81 LYS 81 .9480 -1.2879 999.9900 -.4035 .7460 -.0802 .6758 .1507 .3695 .0608 82 SER 82 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6760 .5214 .5858 .4678 83 VAL 83 .2188 999.9900 -1.0788 999.9900 .7810 -.0263 .6588 .1206 .3448 .1401 84 ALA 84 .6648 999.9900 999.9900 999.9900 .7458 .7053 .6668 .3120 .4599 .5974 85 SER 85 .8349 999.9900 -.7153 999.9900 .6705 .2633 .6800 .5271 .5908 .3994 86 ASP 86 .9921 -2.6388 999.9900 999.9900 .8104 -.2788 .6813 .3826 .5071 .0455 87 TRP 87 -1.3140 1.1164 999.9900 999.9900 .9378 .2467 .6744 .1934 .3938 .3216 88 ALA 88 -2.1491 999.9900 999.9900 999.9900 .7458 -.7016 .6721 .3215 .4676 -.1024 89 ILE 89 -1.7126 -.9493 999.9900 999.9900 .6034 -.6862 .6466 .0436 .2949 -.2737 90 GLN 90 -1.2769 -1.9601 999.9900 1.3059 .5113 -.3549 .6762 .5187 .5843 -.0375 91 ALA 91 -1.3571 999.9900 999.9900 999.9900 .7458 -.3056 .6685 .3120 .4606 .0923 92 MET 92 -.8637 -1.1064 999.9900 .9587 -1.9874 -.7497 .5061 .5184 .5133 -.3290 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5443 -.3734 .0089 .2600 94 THR 94 .4874 999.9900 -.8810 999.9900 .4476 .0180 .6573 -.2714 .1155 .0880 95 PHE 95 -.2255 -.8889 999.9900 999.9900 .7573 -.1190 .6743 .1053 .3424 .0845 96 MET 96 -.2651 .5321 999.9900 .9587 .5203 .4365 .6747 .5241 .5869 .4908 97 PHE 97 -.2986 -4.3038 999.9900 999.9900 .7573 -1.2817 .6785 .1060 .3445 -.6121 98 LEU 98 -1.1512 -3.3760 999.9900 999.9900 .9565 -1.1902 .6801 .1568 .3748 -.5468 99 LYS 99 -.6960 -1.0359 999.9900 -.4035 .7460 -.3586 .6751 .1536 .3709 -.1377 100 GLU 100 -1.4621 -.3559 999.9900 -1.0323 .6899 -.5401 .6770 .5199 .5854 -.1606 101 GLY 101 .7683 999.9900 999.9900 999.9900 .7883 .7783 .5780 .4569 .5107 .6479 102 LYS 102 -.2075 -2.4344 999.9900 -.4035 .7460 -.5406 .6720 .1690 .3786 -.2660 103 ILE 103 -1.3252 -.2084 999.9900 999.9900 .6034 -.3100 .6607 .0371 .2970 -.0465 104 LEU 104 -2.8468 -.9670 999.9900 999.9900 .9565 -.9524 .6782 .1647 .3786 -.4029 105 ASP 105 -.6293 -3.7306 999.9900 999.9900 .8104 -1.1832 .6766 .3698 .4976 -.5006 106 LYS 106 -1.5497 -2.4344 999.9900 -.0397 .7460 -.6635 .6818 .1629 .3791 -.3533 107 VAL 107 -.0463 999.9900 .7395 999.9900 .7810 .4914 .6540 .1203 .3426 .4497 108 VAL 108 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .6659 .1252 .3505 .0205 109 GLY 109 -.5702 999.9900 999.9900 999.9900 .7883 .1090 .5845 .4692 .5204 .3179 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6630 .3195 .4627 .0696 111 LYS 111 -.9887 -.5697 999.9900 -.4035 .7460 -.3239 .6780 .1621 .3771 -.1113 112 LYS 112 1.2214 -1.2879 999.9900 -.4035 .7460 -.0255 .6773 .1640 .3779 .1020 113 ASP 113 .9921 -1.1646 999.9900 999.9900 .8104 .2126 .6793 .3809 .5053 .3396 114 GLU 114 .6833 -1.6501 999.9900 -1.0323 .6899 -.3273 .6686 .5170 .5802 -.0206 115 LEU 115 .2355 -2.7185 999.9900 999.9900 .9565 -.5088 .6796 .1490 .3701 -.1396 116 GLN 116 .1632 -2.6982 999.9900 1.3059 .5113 -.1795 .6800 .5256 .5900 .0813 117 SER 117 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6818 .5382 .5980 .4102 118 THR 118 .7717 999.9900 .8779 999.9900 .4476 .6991 .6522 -.2438 .1295 .5011 119 ILE 119 .6852 .4983 999.9900 999.9900 .6034 .5956 .6529 .0476 .2998 .4975 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6670 .3179 .4633 .5668 121 LYS 121 1.0429 -2.9005 999.9900 -.4035 .7460 -.3837 .6805 .1577 .3755 -.1544 122 HIS 122 .1567 1.0622 999.9900 999.9900 .6686 .6292 .6785 .3241 .4717 .5780 123 LEU 123 -.4979 -3.3760 999.9900 999.9900 .9565 -.9725 .6780 .1543 .3725 -.4170 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6593 .2706 .4372 .4649 Means: -.3198 -1.6799 -.2797 .0506 .7026 -.2239 .6588 .2396 .4148 .0369 2.00 analyzed_4