1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6747 .5039 .5816 .0219 2 GLY 2 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5860 .4752 .5244 -.4092 3 HIS 3 -3.0884 -.2881 999.9900 999.9900 .6686 -.9026 .6756 .3322 .4753 -.3400 4 HIS 4 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6770 .3277 .4732 -.9047 5 HIS 5 -1.0475 1.0622 999.9900 999.9900 .6686 .2277 .6721 .3228 .4683 .3356 6 HIS 6 -3.0884 -1.7284 999.9900 999.9900 .6686 -1.3827 .6710 .3226 .4678 -.6309 7 HIS 7 -3.0884 -1.1713 999.9900 999.9900 .6686 -1.1970 .6760 .3170 .4666 -.5196 8 HIS 8 -.9818 -2.4183 999.9900 999.9900 .6686 -.9105 .6732 .3243 .4697 -.3468 9 LEU 9 -1.6816 -.9564 999.9900 999.9900 .9565 -.5605 .6796 .1461 .3684 -.1712 10 GLU 10 -2.1524 -1.7714 999.9900 .3501 .6899 -.7209 .6747 .5128 .5803 -.2827 11 MET 11 -2.6662 -1.5870 999.9900 .9587 .5203 -.6936 .6797 .5298 .5923 -.2608 12 ALA 12 -2.6726 999.9900 999.9900 999.9900 .7458 -.9634 .6587 .3166 .4591 -.2379 13 SER 13 -.4229 999.9900 -.7153 999.9900 .6705 -.1559 .6729 .5265 .5875 .1463 14 GLU 14 -1.0793 -1.9198 999.9900 -1.0323 .6899 -.8354 .6768 .5207 .5857 -.3573 15 GLU 15 -2.3953 -1.3804 999.9900 1.1588 .6899 -.4818 .6831 .5233 .5899 -.1201 16 GLY 16 .7683 999.9900 999.9900 999.9900 .7883 .7783 .5975 .4731 .5284 .6568 17 GLN 17 -.4306 -2.6982 999.9900 1.3059 .5113 -.3279 .6845 .5212 .5892 -.0177 18 VAL 18 -.3909 999.9900 .3968 999.9900 .7810 .2623 .6640 .1178 .3454 .3137 19 ILE 19 -.4647 -1.3043 999.9900 999.9900 .6034 -.3885 .6553 .0381 .2953 -.0944 20 ALA 20 -.7739 999.9900 999.9900 999.9900 .7458 -.0141 .6655 .3166 .4620 .2385 21 CYS 21 -.5218 999.9900 .1296 999.9900 .9108 .1729 .6786 .3116 .4645 .3018 22 HIS 22 -.9209 1.0771 999.9900 999.9900 .6686 .2749 .6746 .3200 .4677 .3639 23 THR 23 -.2319 999.9900 -.2947 999.9900 .4476 -.0263 .6530 -.2635 .1184 .0621 24 VAL 24 .7260 999.9900 -1.0788 999.9900 .7810 .1428 .6534 .1216 .3432 .2407 25 GLU 25 .8604 -1.7714 999.9900 .3501 .6899 .0322 .6772 .5130 .5814 .2199 26 THR 26 .1421 999.9900 .6346 999.9900 .4476 .4081 .6536 -.2575 .1221 .3241 27 TRP 27 .9545 -3.3859 999.9900 999.9900 .9378 -.4978 .6762 .1849 .3896 -.1265 28 ASN 28 .9310 -1.8756 999.9900 999.9900 .7518 -.0642 .6748 .3835 .5049 .1731 29 GLU 29 .7157 .3424 999.9900 .3501 .6899 .5245 .6758 .5270 .5890 .5501 30 GLN 30 .9013 -2.6982 999.9900 1.3059 .5113 .0051 .6796 .5281 .5912 .2047 31 LEU 31 .8182 -1.3019 999.9900 999.9900 .9565 .1576 .6748 .1623 .3758 .2620 32 GLN 32 .7451 .0960 999.9900 1.3059 .5113 .6646 .6819 .5229 .5892 .6439 33 LYS 33 .8536 -2.1617 999.9900 -.4035 .7460 -.2738 .6785 .1593 .3757 -.0759 34 ALA 34 .8001 999.9900 999.9900 999.9900 .7458 .7729 .6715 .3176 .4651 .6337 35 ASN 35 -.1896 -1.5725 999.9900 999.9900 .7518 -.3368 .6750 .3772 .5013 .0084 36 GLU 36 .4426 -.3719 999.9900 .3501 .6899 .2777 .6740 .5166 .5822 .3836 37 SER 37 .2458 999.9900 -.7153 999.9900 .6705 .0670 .6797 .5326 .5939 .2826 38 LYS 38 -1.0405 -1.1755 999.9900 -.4035 .7460 -.4554 .6773 .1469 .3679 -.2075 39 THR 39 .2086 999.9900 -.8810 999.9900 .4476 -.0750 .6618 -.2575 .1255 .0359 40 LEU 40 -.4979 -2.0611 999.9900 999.9900 .9565 -.5342 .6750 .1703 .3806 -.1514 41 VAL 41 .0764 999.9900 -1.0788 999.9900 .7810 -.0738 .6583 .1147 .3412 .1103 42 VAL 42 .3116 999.9900 -1.0788 999.9900 .7810 .0046 .6593 .1143 .3414 .1575 43 VAL 43 .2313 999.9900 -.2457 999.9900 .7810 .2556 .6564 .1278 .3480 .3102 44 ASP 44 -.2609 -1.0010 999.9900 999.9900 .8104 -.1505 .6735 .3831 .5041 .1210 45 PHE 45 -.0400 -.1035 999.9900 999.9900 .7573 .2046 .6780 .0924 .3364 .2769 46 THR 46 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6552 -.2715 .1146 -.1717 47 ALA 47 -.7246 999.9900 999.9900 999.9900 .7458 .0106 .6584 .3266 .4648 .2515 48 SER 48 .6980 999.9900 -.7153 999.9900 .6705 .2177 .6747 .5226 .5860 .3701 49 TRP 49 -1.3140 -1.6686 999.9900 999.9900 .9378 -.6816 .6800 .1918 .3952 -.2346 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6731 .3124 .4627 -.1561 51 GLY 51 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .3470 .4677 .4141 -.0101 52 PRO 52 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5518 -.3602 .0198 -.1181 53 CYS 53 .4024 -1.0630 999.9900 .2382 .9108 .1221 .6722 .3151 .4639 .2459 54 ARG 54 .6041 .1080 999.9900 1.0005 .8581 .7143 .6806 .5184 .5860 .6815 55 PHE 55 .1779 -.8310 999.9900 999.9900 .7573 .0347 .6756 .0969 .3380 .1753 56 ILE 56 -1.3063 -3.0500 999.9900 999.9900 .6034 -1.2510 .6617 .0434 .3010 -.6096 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4808 .3154 .3843 .4764 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5394 -.3722 .0076 -.1243 59 PHE 59 1.0502 -.8499 999.9900 999.9900 .7573 .3192 .6751 .1034 .3416 .3472 60 PHE 60 .6090 -1.0405 999.9900 999.9900 .7573 .1086 .6752 .1048 .3425 .2212 61 ALA 61 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6601 .3192 .4612 .5937 62 ASP 62 1.3227 -2.4630 999.9900 999.9900 .8104 -.1100 .6771 .3824 .5052 .1459 63 LEU 63 .4996 -2.2115 999.9900 999.9900 .9565 -.2518 .6754 .1612 .3754 .0162 64 ALA 64 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6626 .3139 .4592 .5647 65 LYS 65 .0635 .7114 999.9900 .1731 .7460 .3734 .6790 .1600 .3762 .3866 66 LYS 66 -.4760 -.7357 999.9900 -.4035 .7460 -.2545 .6748 .1663 .3781 -.0617 67 LEU 67 -1.8089 -1.7554 999.9900 999.9900 .9565 -.8693 .4874 .1493 .2902 -.3942 68 PRO 68 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .5505 -.3566 .0214 .0596 69 ASN 69 -2.3558 -3.3254 999.9900 999.9900 .7518 -1.6431 .6768 .3854 .5068 -.7734 70 VAL 70 -.3682 999.9900 .1416 999.9900 .7810 .1848 .6539 .1265 .3462 .2670 71 LEU 71 -.1775 -3.3760 999.9900 999.9900 .9565 -.8657 .6742 .1603 .3745 -.3525 72 PHE 72 .0966 -1.2830 999.9900 999.9900 .7573 -.1430 .6793 .1009 .3419 .0702 73 LEU 73 -.6392 -3.3760 999.9900 999.9900 .9565 -1.0196 .6748 .1531 .3705 -.4462 74 LYS 74 -.1867 -1.9682 999.9900 .2495 .7460 -.1820 .6772 .1615 .3764 -.0102 75 VAL 75 .1158 999.9900 .1416 999.9900 .7810 .3462 .6581 .1243 .3467 .3642 76 ASP 76 -.5648 -2.3194 999.9900 999.9900 .8104 -.6913 .6795 .3815 .5057 -.2026 77 THR 77 -.1166 999.9900 -.8810 999.9900 .4476 -.1833 .6577 -.2598 .1225 -.0304 78 ASP 78 .9921 -1.1954 999.9900 999.9900 .8104 .2024 .6732 .3812 .5028 .3323 79 GLU 79 -.8591 -2.3808 999.9900 -1.0323 .6899 -.8956 .6759 .5225 .5864 -.3973 80 LEU 80 -2.4740 -3.3760 999.9900 999.9900 .9565 -1.6312 .6761 .1601 .3751 -.8115 81 LYS 81 .9480 -1.8181 999.9900 .1140 .7460 .0208 .6785 .1591 .3755 .1345 82 SER 82 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6742 .5253 .5873 .4061 83 VAL 83 .7260 999.9900 .1416 999.9900 .7810 .5496 .6559 .1206 .3436 .4850 84 ALA 84 .8001 999.9900 999.9900 999.9900 .7458 .7729 .6679 .3236 .4671 .6344 85 SER 85 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6820 .5381 .5981 .4081 86 ASP 86 1.1285 -2.0928 999.9900 999.9900 .8104 -.0513 .6728 .3826 .5035 .1803 87 TRP 87 -.3273 1.1473 999.9900 999.9900 .9378 .5859 .6797 .1771 .3865 .5229 88 ALA 88 -3.0686 999.9900 999.9900 999.9900 .7458 -1.1614 .6672 .3212 .4654 -.3336 89 ILE 89 -3.6908 -.7522 999.9900 999.9900 .6034 -1.2799 .6543 .0512 .3025 -.6268 90 GLN 90 -.4076 -2.6982 999.9900 1.3059 .5113 -.3222 .6829 .5264 .5916 -.0132 91 ALA 91 -.7791 999.9900 999.9900 999.9900 .7458 -.0166 .6635 .3126 .4588 .2357 92 MET 92 -.5247 -.3164 999.9900 .9587 -1.9874 -.4674 .5068 .5073 .5071 -.1426 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5498 -.3785 .0083 .2602 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6494 -.2583 .1199 .0897 95 PHE 95 -.2255 .0967 999.9900 999.9900 .7573 .2095 .6797 .1120 .3485 .2840 96 MET 96 -.2520 -.0261 999.9900 .9587 .5203 .3002 .6772 .5156 .5830 .3990 97 PHE 97 -.4973 -4.3038 999.9900 999.9900 .7573 -1.3479 .6750 .1064 .3433 -.6525 98 LEU 98 -1.2966 -3.3760 999.9900 999.9900 .9565 -1.2387 .6808 .1466 .3692 -.5777 99 LYS 99 -.4529 -.2831 999.9900 -.4035 .7460 -.1594 .6828 .1639 .3801 .0071 100 GLU 100 -1.4621 -.3719 999.9900 2.1776 .6899 .2584 .6798 .5265 .5904 .3733 101 GLY 101 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5908 .4680 .5226 .7402 102 LYS 102 -.3350 -2.1617 999.9900 .3546 .7460 -.2083 .6826 .1546 .3746 -.0292 103 ILE 103 -1.3252 -.4388 999.9900 999.9900 .6034 -.3869 .6605 .0420 .2997 -.0916 104 LEU 104 -2.1729 -.9670 999.9900 999.9900 .9565 -.7278 .6707 .1566 .3708 -.2713 105 ASP 105 -.6293 -2.3194 999.9900 999.9900 .8104 -.7128 .6694 .3800 .5006 -.2178 106 LYS 106 -.4160 -2.9005 999.9900 1.4535 .7460 .0673 .6809 .1517 .3722 .1670 107 VAL 107 .0764 999.9900 .5873 999.9900 .7810 .4816 .6525 .1121 .3373 .4419 108 VAL 108 .0815 999.9900 -1.0788 999.9900 .7810 -.0721 .6623 .1166 .3440 .1125 109 GLY 109 -.1011 999.9900 999.9900 999.9900 .7883 .3436 .5935 .4822 .5317 .4407 110 ALA 110 -1.5027 999.9900 999.9900 999.9900 .7458 -.3784 .6702 .3245 .4685 .0595 111 LYS 111 -.9887 -1.3520 999.9900 -.4035 .7460 -.4803 .6772 .1625 .3769 -.2231 112 LYS 112 .6751 -2.4344 999.9900 .2868 .7460 -.0879 .6754 .1505 .3692 .0552 113 ASP 113 1.0815 -1.4992 999.9900 999.9900 .8104 .1309 .6781 .3862 .5078 .2914 114 GLU 114 .8733 -1.1358 999.9900 -1.0323 .6899 -.1513 .6777 .5223 .5870 .0992 115 LEU 115 .2355 -2.4128 999.9900 999.9900 .9565 -.4069 .6819 .1477 .3703 -.0782 116 GLN 116 .1632 -1.0287 999.9900 1.3059 .5113 .2379 .6825 .5170 .5860 .3585 117 SER 117 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6814 .5284 .5921 .4082 118 THR 118 .7717 999.9900 -.2947 999.9900 .4476 .3082 .6619 -.2756 .1151 .2622 119 ILE 119 .6852 .4743 999.9900 999.9900 .6034 .5876 .6589 .0427 .2995 .4929 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6626 .3239 .4650 .5672 121 LYS 121 1.0429 -2.4344 999.9900 -.4035 .7460 -.2905 .6789 .1626 .3777 -.0873 122 HIS 122 .1567 .6357 999.9900 999.9900 .6686 .4870 .6733 .3240 .4696 .4917 123 LEU 123 -.3299 -3.3760 999.9900 999.9900 .9565 -.9165 .6773 .1628 .3772 -.3819 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6637 .2493 .4269 .4565 Means: -.3563 -1.5049 -.4497 .3240 .7026 -.1789 .6591 .2389 .4145 .0644 2.00 analyzed_7