1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6746 .5021 .5805 .0215 2 GLY 2 -.2180 999.9900 999.9900 999.9900 .7883 .2851 .5900 .4870 .5328 .4118 3 HIS 3 -.6701 -3.1083 999.9900 999.9900 .6686 -1.0366 .6775 .3264 .4727 -.4212 4 HIS 4 -.6280 -2.0147 999.9900 999.9900 .6686 -.6580 .6778 .3207 .4695 -.1951 5 HIS 5 -.6280 -.3484 999.9900 999.9900 .6686 -.1026 .6797 .3214 .4707 .1386 6 HIS 6 -.5497 -3.1083 999.9900 999.9900 .6686 -.9965 .6788 .3205 .4698 -.3980 7 HIS 7 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6772 .3089 .4624 -.9084 8 HIS 8 -2.5191 -3.1083 999.9900 999.9900 .6686 -1.6529 .6715 .3150 .4635 -.7945 9 LEU 9 -1.7747 -1.7966 999.9900 999.9900 .9565 -.8716 .6767 .1544 .3720 -.3568 10 GLU 10 -2.1524 -2.8418 999.9900 -1.0323 .6899 -1.3342 .6818 .5297 .5931 -.6875 11 MET 11 -2.6662 -1.4323 999.9900 .9587 .5203 -.6549 .6737 .5119 .5793 -.2390 12 ALA 12 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6685 .3097 .4592 -.4352 13 SER 13 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6803 .5301 .5927 -.5188 14 GLU 14 -2.2616 -1.9198 999.9900 .3501 .6899 -.7854 .6786 .5237 .5882 -.3232 15 GLU 15 -2.8104 -.4584 999.9900 -1.0323 .6899 -.9028 .6787 .5261 .5897 -.4011 16 GLY 16 .7683 999.9900 999.9900 999.9900 .7883 .7783 .5857 .4726 .5229 .6537 17 GLN 17 -.4306 -2.2325 999.9900 1.3059 .5113 -.2115 .6770 .5214 .5862 .0588 18 VAL 18 -.3909 999.9900 -.2457 999.9900 .7810 .0481 .6615 .1316 .3524 .1875 19 ILE 19 -.9523 -1.4972 999.9900 999.9900 .6034 -.6154 .6575 .0430 .2990 -.2291 20 ALA 20 -.7843 999.9900 999.9900 999.9900 .7458 -.0193 .6640 .3283 .4682 .2385 21 CYS 21 -.5218 999.9900 .1296 999.9900 .9108 .1729 .6791 .3156 .4671 .3027 22 HIS 22 -1.1973 .8438 999.9900 999.9900 .6686 .1050 .6824 .3350 .4798 .2665 23 THR 23 -.5585 999.9900 .7650 999.9900 .4476 .2180 .6572 -.2549 .1251 .2113 24 VAL 24 .3707 999.9900 -1.0788 999.9900 .7810 .0243 .6598 .1304 .3510 .1726 25 GLU 25 .8733 -1.7714 999.9900 .3501 .6899 .0355 .6790 .5203 .5864 .2235 26 THR 26 1.2375 999.9900 .8779 999.9900 .4476 .8543 .6614 -.2588 .1246 .5931 27 TRP 27 .9545 -.3018 999.9900 999.9900 .9378 .5302 .6769 .1961 .3964 .4927 28 ASN 28 .9310 -3.3254 999.9900 999.9900 .7518 -.5475 .6769 .3910 .5102 -.1149 29 GLU 29 .7157 -2.1111 999.9900 -1.0323 .6899 -.4345 .6744 .5223 .5857 -.0902 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6763 .5231 .5869 .1759 31 LEU 31 .8182 -2.5464 999.9900 999.9900 .9565 -.2572 .6793 .1684 .3813 .0152 32 GLN 32 .7451 -2.6982 999.9900 1.3059 .5113 -.0340 .6754 .5242 .5872 .1773 33 LYS 33 .8536 -1.9682 999.9900 -.0397 .7460 -.0896 .6785 .1458 .3677 .0537 34 ALA 34 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6629 .3234 .4649 .5671 35 ASN 35 -.1896 -.8278 999.9900 999.9900 .7518 -.0885 .6810 .3935 .5133 .1618 36 GLU 36 .1449 -.0968 999.9900 -1.0323 .6899 -.0736 .6748 .5230 .5862 .1506 37 SER 37 -.0687 999.9900 -.7153 999.9900 .6705 -.0378 .6763 .5324 .5923 .2190 38 LYS 38 -1.2247 -1.1755 999.9900 -.4035 .7460 -.4922 .6780 .1642 .3783 -.2313 39 THR 39 -.6341 999.9900 -.8810 999.9900 .4476 -.3558 .6577 -.2707 .1162 -.1361 40 LEU 40 -.3299 -3.3760 999.9900 999.9900 .9565 -.9165 .6770 .1457 .3671 -.3853 41 VAL 41 .0764 999.9900 -1.0788 999.9900 .7810 -.0738 .6581 .1067 .3365 .1087 42 VAL 42 .1158 999.9900 -1.0788 999.9900 .7810 -.0606 .6556 .1271 .3473 .1202 43 VAL 43 -.3818 999.9900 1.1129 999.9900 .7810 .5041 .6586 .1185 .3436 .4579 44 ASP 44 -.2609 -2.4630 999.9900 999.9900 .8104 -.6378 .6764 .3865 .5073 -.1701 45 PHE 45 .0490 .0419 999.9900 999.9900 .7573 .2827 .6785 .1074 .3454 .3268 46 THR 46 -1.0935 999.9900 -.8810 999.9900 .4476 -.5090 .6600 -.2544 .1266 -.2243 47 ALA 47 -1.1160 999.9900 999.9900 999.9900 .7458 -.1851 .6676 .3110 .4596 .1521 48 SER 48 .6980 999.9900 -.7153 999.9900 .6705 .2177 .6775 .5265 .5894 .3714 49 TRP 49 -.7928 -3.3859 999.9900 999.9900 .9378 -1.0803 .6735 .1920 .3926 -.4751 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6736 .3098 .4614 -.1565 51 GLY 51 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .3630 .4767 .4261 -.0039 52 PRO 52 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .5512 -.3528 .0238 .0607 53 CYS 53 1.1322 -1.5342 999.9900 .2382 .9108 .1868 .6715 .3093 .4602 .2880 54 ARG 54 .6041 -.2995 999.9900 .6901 .8581 .5086 .6780 .5239 .5881 .5350 55 PHE 55 -1.4579 -1.0890 999.9900 999.9900 .7573 -.5965 .6775 .1013 .3414 -.2022 56 ILE 56 -1.5964 -3.0500 999.9900 999.9900 .6034 -1.3477 .6583 .0471 .3018 -.6675 57 ALA 57 .7636 999.9900 999.9900 999.9900 .7458 .7547 .4736 .3097 .3780 .5732 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5498 -.3650 .0162 -.1198 59 PHE 59 1.0502 -1.8165 999.9900 999.9900 .7573 -.0030 .6660 .0989 .3352 .1512 60 PHE 60 .6090 -4.3038 999.9900 999.9900 .7573 -.9792 .6728 .1004 .3389 -.4329 61 ALA 61 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6650 .3169 .4620 .5229 62 ASP 62 1.0149 -1.5978 999.9900 999.9900 .8104 .0759 .6759 .3807 .5037 .2568 63 LEU 63 .8786 -2.2115 999.9900 999.9900 .9565 -.1255 .6817 .1677 .3818 .0946 64 ALA 64 .8001 999.9900 999.9900 999.9900 .7458 .7729 .6640 .3230 .4651 .6332 65 LYS 65 -.0957 .8596 999.9900 -.4035 .7460 .1406 .6804 .1531 .3728 .2195 66 LYS 66 -.2978 -1.9682 999.9900 -.4035 .7460 -.4654 .6771 .1483 .3686 -.2145 67 LEU 67 -1.9234 -3.3760 999.9900 999.9900 .9565 -1.4476 .4955 .1583 .2988 -.7378 68 PRO 68 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5474 -.3656 .0148 -.1206 69 ASN 69 -1.7258 -2.0766 999.9900 999.9900 .7518 -1.0168 .6787 .3836 .5065 -.3977 70 VAL 70 -.3682 999.9900 .5873 999.9900 .7810 .3334 .6552 .1050 .3343 .3521 71 LEU 71 -.0792 -2.0611 999.9900 999.9900 .9565 -.3946 .6814 .1616 .3782 -.0681 72 PHE 72 .1161 -2.5581 999.9900 999.9900 .7573 -.5616 .6781 .0880 .3339 -.1837 73 LEU 73 -.3075 -2.9612 999.9900 999.9900 .9565 -.7707 .6718 .1590 .3727 -.2963 74 LYS 74 -.3286 -1.8181 999.9900 -.4035 .7460 -.4416 .6827 .1525 .3734 -.1961 75 VAL 75 .3894 999.9900 .7395 999.9900 .7810 .6366 .6540 .1185 .3416 .5365 76 ASP 76 -.3017 -2.8653 999.9900 999.9900 .8104 -.7856 .6852 .3810 .5078 -.2581 77 THR 77 .4802 999.9900 .0483 999.9900 .4476 .3254 .6621 -.2462 .1322 .2784 78 ASP 78 1.1285 -3.1847 999.9900 999.9900 .8104 -.4152 .6813 .3778 .5043 -.0373 79 GLU 79 -3.2255 -1.9198 999.9900 -1.0323 .6899 -1.3719 .6796 .5202 .5866 -.7147 80 LEU 80 -2.5767 -3.3760 999.9900 999.9900 .9565 -1.6654 .6759 .1522 .3704 -.8336 81 LYS 81 1.0838 -1.8181 999.9900 .6315 .7460 .2550 .6773 .1597 .3753 .3017 82 SER 82 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6734 .5282 .5887 .4686 83 VAL 83 1.0462 999.9900 .5873 999.9900 .7810 .8049 .6611 .1271 .3496 .6405 84 ALA 84 .7636 999.9900 999.9900 999.9900 .7458 .7547 .6693 .3265 .4693 .6263 85 SER 85 .8349 999.9900 .6576 999.9900 .6705 .7210 .6756 .5288 .5900 .6735 86 ASP 86 .2633 -2.0928 999.9900 999.9900 .8104 -.3397 .6765 .3764 .5015 .0067 87 TRP 87 -1.3140 -.7344 999.9900 999.9900 .9378 -.3702 .6761 .1869 .3907 -.0495 88 ALA 88 -1.6732 999.9900 999.9900 999.9900 .7458 -.4637 .6716 .3254 .4696 .0174 89 ILE 89 -2.8303 -.5232 999.9900 999.9900 .6034 -.9167 .6541 .0427 .2974 -.4107 90 GLN 90 -.6030 -2.6982 999.9900 1.3059 .5113 -.3710 .6730 .5233 .5857 -.0480 91 ALA 91 -.8003 999.9900 999.9900 999.9900 .7458 -.0272 .6646 .3080 .4566 .2295 92 MET 92 -.6588 -2.5481 999.9900 .9587 -1.9874 -1.0589 .4965 .5197 .5100 -.5366 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5383 -.3662 .0107 .2604 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6615 -.2546 .1271 .0929 95 PHE 95 -.2255 -1.5726 999.9900 999.9900 .7573 -.3469 .6789 .1085 .3462 -.0507 96 MET 96 -.6343 .5321 999.9900 .9587 .5203 .3442 .6803 .5282 .5916 .4309 97 PHE 97 .0058 -4.3038 999.9900 999.9900 .7573 -1.1802 .6756 .1005 .3401 -.5529 98 LEU 98 -1.1512 -3.3760 999.9900 999.9900 .9565 -1.1902 .6784 .1631 .3778 -.5458 99 LYS 99 -.6960 .4083 999.9900 .1731 .7460 .1609 .6725 .1496 .3675 .2324 100 GLU 100 -1.4621 -.2810 999.9900 -1.0323 .6899 -.5214 .6848 .5283 .5935 -.1454 101 GLY 101 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5838 .4739 .5227 .7193 102 LYS 102 -.3161 -.2695 999.9900 .3240 .7460 .1617 .6736 .1470 .3664 .2327 103 ILE 103 -1.3252 .0077 999.9900 999.9900 .6034 -.2380 .6581 .0415 .2984 -.0029 104 LEU 104 -1.6816 -.9670 999.9900 999.9900 .9565 -.5641 .6801 .1608 .3772 -.1703 105 ASP 105 -.9091 -3.7306 999.9900 999.9900 .8104 -1.2764 .6819 .3817 .5068 -.5531 106 LYS 106 -1.5497 -.8217 999.9900 -.4035 .7460 -.4865 .6743 .1601 .3743 -.2283 107 VAL 107 -.3161 999.9900 .4980 999.9900 .7810 .3210 .6611 .1243 .3480 .3497 108 VAL 108 -.6656 999.9900 -1.0788 999.9900 .7810 -.3211 .6603 .1168 .3433 -.0372 109 GLY 109 -1.0150 999.9900 999.9900 999.9900 .7883 -.1133 .5832 .4767 .5240 .2083 110 ALA 110 -1.5027 999.9900 999.9900 999.9900 .7458 -.3784 .6656 .3193 .4636 .0570 111 LYS 111 -.1919 -1.5918 999.9900 -.0397 .7460 -.2234 .6775 .1580 .3744 -.0402 112 LYS 112 .2805 -1.9682 999.9900 -.4035 .7460 -.3497 .6751 .1583 .3737 -.1307 113 ASP 113 .6354 -2.8653 999.9900 999.9900 .8104 -.4732 .6791 .3910 .5110 -.0699 114 GLU 114 .8733 -1.3804 999.9900 -1.0323 .6899 -.2124 .6794 .5256 .5897 .0592 115 LEU 115 .2355 -3.3760 999.9900 999.9900 .9565 -.7280 .6850 .1560 .3764 -.2686 116 GLN 116 .1632 -.4838 999.9900 1.3059 .5113 .3741 .6796 .5193 .5861 .4492 117 SER 117 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6808 .5351 .5958 .4072 118 THR 118 .7717 999.9900 -.8810 999.9900 .4476 .1128 .6572 -.2599 .1222 .1471 119 ILE 119 .6852 -1.3043 999.9900 999.9900 .6034 -.0052 .6619 .0451 .3021 .1383 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6606 .3202 .4620 .5657 121 LYS 121 1.0429 -2.4344 999.9900 -.4035 .7460 -.2905 .6750 .1483 .3678 -.0899 122 HIS 122 .1567 .6357 999.9900 999.9900 .6686 .4870 .6767 .3208 .4691 .4917 123 LEU 123 -.3571 -2.9612 999.9900 999.9900 .9565 -.7873 .6804 .1489 .3704 -.3065 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6603 .2582 .4305 .4592 Means: -.3795 -1.8604 -.2358 .0466 .7026 -.2761 .6597 .2397 .4152 .0051 2.00 analyzed_9