1 MET 1 999.9900 -2.0676 999.9900 .9587 .5203 -.1962 .6718 .5012 .5788 .1169 2 GLY 2 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5874 .4825 .5291 -.4071 3 HIS 3 -3.0884 .5126 999.9900 999.9900 .6686 -.6357 .6766 .3213 .4693 -.1818 4 HIS 4 -.9818 -1.1713 999.9900 999.9900 .6686 -.4948 .6783 .3326 .4766 -.0947 5 HIS 5 -1.7665 -2.4183 999.9900 999.9900 .6686 -1.1721 .6794 .3322 .4769 -.5009 6 HIS 6 -2.5191 -3.1083 999.9900 999.9900 .6686 -1.6529 .6811 .3215 .4714 -.7912 7 HIS 7 -2.1861 .8055 999.9900 999.9900 .6686 -.2373 .6725 .3188 .4662 .0559 8 HIS 8 -2.5191 -3.1083 999.9900 999.9900 .6686 -1.6529 .6818 .3214 .4716 -.7911 9 LEU 9 -.1196 -3.3760 999.9900 999.9900 .9565 -.8463 .6829 .1512 .3728 -.3410 10 GLU 10 -2.8104 -1.9198 999.9900 -1.0323 .6899 -1.2682 .6809 .5285 .5920 -.6439 11 MET 11 -.2142 -2.0676 999.9900 .9587 .5203 -.2007 .6697 .5185 .5815 .0642 12 ALA 12 -1.9174 999.9900 999.9900 999.9900 .7458 -.5858 .6666 .3195 .4641 -.0464 13 SER 13 -2.2020 999.9900 -.7153 999.9900 .6705 -.7490 .6768 .5276 .5898 -.2085 14 GLU 14 -.4269 -1.9198 999.9900 -1.0323 .6899 -.6723 .6787 .5294 .5916 -.2468 15 GLU 15 -1.5650 -.4584 999.9900 -1.0323 .6899 -.5915 .6780 .5164 .5837 -.1952 16 GLY 16 .8169 999.9900 999.9900 999.9900 .7883 .8026 .5793 .4594 .5127 .6610 17 GLN 17 -.3640 -2.6982 999.9900 1.3059 .5113 -.3112 .6737 .5162 .5818 -.0092 18 VAL 18 .0815 999.9900 .6672 999.9900 .7810 .5099 .6596 .1258 .3482 .4630 19 ILE 19 -.3198 -1.2277 999.9900 999.9900 .6034 -.3147 .6564 .0340 .2933 -.0507 20 ALA 20 -.7791 999.9900 999.9900 999.9900 .7458 -.0166 .6703 .3185 .4651 .2389 21 CYS 21 -.0010 999.9900 .1296 999.9900 .9108 .3465 .6748 .3059 .4596 .4040 22 HIS 22 -.7145 .4588 999.9900 999.9900 .6686 .1376 .6779 .3288 .4743 .2839 23 THR 23 .0643 999.9900 -.8810 999.9900 .4476 -.1231 .6496 -.2547 .1221 .0051 24 VAL 24 .7260 999.9900 -1.0788 999.9900 .7810 .1428 .6591 .1263 .3483 .2428 25 GLU 25 .8733 -1.3104 999.9900 .3501 .6899 .1507 .6750 .5132 .5806 .2985 26 THR 26 .8748 999.9900 .4804 999.9900 .4476 .6009 .6542 -.2650 .1180 .4384 27 TRP 27 .9545 -.3018 999.9900 999.9900 .9378 .5302 .6767 .1882 .3917 .4911 28 ASN 28 1.0488 -2.3357 999.9900 999.9900 .7518 -.1784 .6790 .3871 .5087 .1062 29 GLU 29 .8604 .5420 999.9900 -1.0323 .6899 .2650 .6825 .5279 .5923 .3784 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6794 .5198 .5863 .1759 31 LEU 31 .8182 -1.6805 999.9900 999.9900 .9565 .0314 .6714 .1607 .3735 .1853 32 GLN 32 .7451 -2.6982 999.9900 1.3059 .5113 -.0340 .6778 .5253 .5889 .1779 33 LYS 33 .6780 -.0243 999.9900 .6906 .7460 .5562 .6749 .1560 .3722 .5160 34 ALA 34 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6678 .3242 .4674 .5686 35 ASN 35 .6990 -2.7010 999.9900 999.9900 .7518 -.4167 .6787 .3963 .5140 -.0350 36 GLU 36 .8604 -2.3808 999.9900 -1.0323 .6899 -.4657 .6801 .5249 .5896 -.1096 37 SER 37 .4533 999.9900 .3727 999.9900 .6705 .4988 .6761 .5305 .5912 .5406 38 LYS 38 -1.2247 -1.1755 999.9900 .1140 .7460 -.2852 .6728 .1526 .3693 -.0858 39 THR 39 .2086 999.9900 -.8810 999.9900 .4476 -.0750 .6604 -.2547 .1266 .0362 40 LEU 40 -.3299 -3.3760 999.9900 999.9900 .9565 -.9165 .6775 .1577 .3743 -.3828 41 VAL 41 .0764 999.9900 -1.0788 999.9900 .7810 -.0738 .6582 .1191 .3437 .1112 42 VAL 42 .3894 999.9900 .4980 999.9900 .7810 .5561 .6579 .1345 .3526 .4922 43 VAL 43 -.3818 999.9900 -1.0788 999.9900 .7810 -.2265 .6581 .1150 .3413 .0187 44 ASP 44 -.2609 -1.8420 999.9900 999.9900 .8104 -.4309 .6794 .3814 .5056 -.0464 45 PHE 45 -.2457 -1.2830 999.9900 999.9900 .7573 -.2571 .6771 .0974 .3390 .0006 46 THR 46 -.0676 999.9900 -.8810 999.9900 .4476 -.1670 .6579 -.2402 .1340 -.0167 47 ALA 47 -.5406 999.9900 999.9900 999.9900 .7458 .1026 .6677 .3284 .4698 .3003 48 SER 48 .7489 999.9900 -.7153 999.9900 .6705 .2347 .6783 .5353 .5949 .3835 49 TRP 49 -1.3140 -3.3859 999.9900 999.9900 .9378 -1.2540 .6804 .1979 .3989 -.5768 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6761 .3165 .4663 -.1549 51 GLY 51 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .3551 .4737 .4210 -.0066 52 PRO 52 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5464 -.3676 .0132 -.1213 53 CYS 53 -.1941 -1.0630 999.9900 .2382 .9108 -.0270 .6720 .3046 .4577 .1448 54 ARG 54 .9556 -.9348 999.9900 .1593 .8581 .2395 .6759 .5270 .5891 .3429 55 PHE 55 .1779 -.1288 999.9900 999.9900 .7573 .2688 .6762 .1075 .3445 .3180 56 ILE 56 -1.5441 -3.0500 999.9900 999.9900 .6034 -1.3302 .6526 .0456 .2985 -.6585 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4713 .3256 .3863 .4766 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5390 -.3723 .0074 -.1244 59 PHE 59 1.0502 -1.6164 999.9900 999.9900 .7573 .0637 .6766 .0988 .3395 .1933 60 PHE 60 .6090 -.4306 999.9900 999.9900 .7573 .3119 .6705 .0961 .3354 .3405 61 ALA 61 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6684 .3231 .4670 .5967 62 ASP 62 1.0815 -2.0928 999.9900 999.9900 .8104 -.0670 .6740 .3769 .5007 .1700 63 LEU 63 .4996 -2.2115 999.9900 999.9900 .9565 -.2518 .6812 .1615 .3780 .0175 64 ALA 64 .8241 999.9900 999.9900 999.9900 .7458 .7850 .6643 .3155 .4609 .6374 65 LYS 65 .0635 -.9951 999.9900 -.4035 .7460 -.1985 .6747 .1604 .3747 -.0225 66 LYS 66 .0419 -.7918 999.9900 -.4035 .7460 -.1622 .6807 .1433 .3672 .0019 67 LEU 67 -1.0430 -2.9612 999.9900 999.9900 .9565 -1.0159 .4871 .1657 .2996 -.4790 68 PRO 68 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .5383 -.3736 .0063 -.4255 69 ASN 69 -2.3558 -1.7113 999.9900 999.9900 .7518 -1.1051 .6805 .3873 .5095 -.4495 70 VAL 70 -.0346 999.9900 .5873 999.9900 .7810 .4446 .6540 .1220 .3437 .4220 71 LEU 71 .0291 -3.3760 999.9900 999.9900 .9565 -.7968 .6764 .1408 .3640 -.3146 72 PHE 72 .1097 -2.5581 999.9900 999.9900 .7573 -.5637 .6778 .0967 .3388 -.1833 73 LEU 73 -.1655 -2.9612 999.9900 999.9900 .9565 -.7234 .6771 .1511 .3703 -.2684 74 LYS 74 -.2858 -2.9005 999.9900 -.0770 .7460 -.5189 .6797 .1596 .3763 -.2507 75 VAL 75 .1158 999.9900 .7395 999.9900 .7810 .5454 .6626 .1278 .3506 .4853 76 ASP 76 -.3017 -2.1980 999.9900 999.9900 .8104 -.5631 .6792 .3877 .5092 -.1245 77 THR 77 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6557 -.2511 .1268 .0903 78 ASP 78 .1149 -2.6388 999.9900 999.9900 .8104 -.5712 .6776 .3823 .5054 -.1307 79 GLU 79 -1.9801 -2.8418 999.9900 -1.0323 .6899 -1.2911 .6795 .5192 .5860 -.6609 80 LEU 80 -1.8089 -2.5464 999.9900 999.9900 .9565 -1.1329 .6766 .1508 .3699 -.5143 81 LYS 81 .6780 -1.6955 999.9900 .1731 .7460 .0149 .6758 .1567 .3729 .1296 82 SER 82 1.1864 999.9900 .8786 999.9900 .6705 .9118 .6745 .5234 .5863 .7867 83 VAL 83 .7683 999.9900 -.2457 999.9900 .7810 .4346 .6635 .1191 .3459 .4173 84 ALA 84 .6648 999.9900 999.9900 999.9900 .7458 .7053 .6667 .3193 .4641 .5991 85 SER 85 1.0911 999.9900 .6576 999.9900 .6705 .8064 .6787 .5356 .5952 .7267 86 ASP 86 .9343 -.5326 999.9900 999.9900 .8104 .4040 .6746 .3815 .5036 .4536 87 TRP 87 -.6038 .2071 999.9900 999.9900 .9378 .1803 .6734 .1862 .3892 .2801 88 ALA 88 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6657 .3089 .4575 -.4361 89 ILE 89 -2.8303 -.3653 999.9900 999.9900 .6034 -.8641 .6633 .0427 .3013 -.3772 90 GLN 90 -.5313 -1.1512 999.9900 1.3059 .5113 .0337 .6752 .5220 .5859 .2220 91 ALA 91 -.6925 999.9900 999.9900 999.9900 .7458 .0266 .6653 .3242 .4663 .2607 92 MET 92 -.6588 -2.5481 999.9900 .9587 -1.9874 -1.0589 .4827 .5145 .5012 -.5398 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5337 -.3591 .0129 .2610 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6524 -.2432 .1300 .0933 95 PHE 95 -.2255 -.1815 999.9900 999.9900 .7573 .1168 .6727 .1085 .3436 .2263 96 MET 96 -.2651 .4901 999.9900 .9587 .5203 .4260 .6755 .5206 .5851 .4833 97 PHE 97 -.4973 -4.3038 999.9900 999.9900 .7573 -1.3479 .6729 .1120 .3457 -.6518 98 LEU 98 -1.1512 -3.3760 999.9900 999.9900 .9565 -1.1902 .6767 .1544 .3721 -.5479 99 LYS 99 -.6960 .4083 999.9900 .8043 .7460 .4134 .6685 .1581 .3708 .4134 100 GLU 100 -1.4945 -1.9198 999.9900 -1.0323 .6899 -.9392 .6757 .5241 .5873 -.4261 101 GLY 101 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5874 .4626 .5181 .7380 102 LYS 102 -.3543 -1.5020 999.9900 -.0397 .7460 -.2380 .6823 .1462 .3696 -.0516 103 ILE 103 -1.3252 .5691 999.9900 999.9900 .6034 -.0509 .6541 .0357 .2934 .1074 104 LEU 104 -2.1729 -.9670 999.9900 999.9900 .9565 -.7278 .6760 .1658 .3784 -.2683 105 ASP 105 -.6293 -2.3194 999.9900 999.9900 .8104 -.7128 .6739 .3829 .5041 -.2163 106 LYS 106 -1.5497 -2.9005 999.9900 .6506 .7460 -.4806 .6748 .1652 .3775 -.2233 107 VAL 107 -.0463 999.9900 1.0696 999.9900 .7810 .6014 .6588 .1307 .3508 .5188 108 VAL 108 .3116 999.9900 -1.0788 999.9900 .7810 .0046 .6509 .1207 .3416 .1571 109 GLY 109 -.9395 999.9900 999.9900 999.9900 .7883 -.0756 .5748 .4573 .5095 .2202 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6727 .3117 .4621 .0701 111 LYS 111 -.9887 -1.2293 999.9900 -.4035 .7460 -.4558 .6682 .1503 .3661 -.2086 112 LYS 112 .8536 -1.5918 999.9900 -.0770 .7460 -.0292 .6808 .1481 .3701 .0975 113 ASP 113 .6354 -1.1646 999.9900 999.9900 .8104 .0937 .6813 .3740 .5020 .2673 114 GLU 114 .6116 -.8493 999.9900 -1.0323 .6899 -.1450 .6795 .5229 .5882 .1037 115 LEU 115 .2355 -2.7185 999.9900 999.9900 .9565 -.5088 .6776 .1573 .3741 -.1383 116 GLN 116 .1632 -1.7668 999.9900 1.3059 .5113 .0534 .6717 .5192 .5827 .2341 117 SER 117 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6744 .5266 .5882 .4043 118 THR 118 .7717 999.9900 -.8810 999.9900 .4476 .1128 .6647 -.2564 .1274 .1493 119 ILE 119 .6852 .4202 999.9900 999.9900 .6034 .5696 .6609 .0445 .3014 .4829 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6673 .3223 .4661 .5680 121 LYS 121 1.0429 -2.4344 999.9900 -.4035 .7460 -.2905 .6819 .1594 .3771 -.0873 122 HIS 122 .2028 .6357 999.9900 999.9900 .6686 .5024 .6720 .3190 .4661 .4996 123 LEU 123 -1.4828 -3.3760 999.9900 999.9900 .9565 -1.3008 .6705 .1577 .3714 -.6148 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6652 .2472 .4264 .4562 Means: -.3171 -1.6486 -.2463 .0978 .7026 -.2093 .6585 .2396 .4146 .0458 2.00 analyzed_13