1 GLU 1 999.9900 -1.3804 999.9900 .3501 .6899 -.1135 .6694 .4952 .5744 .1648 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6705 .3129 .4619 -.4339 3 GLU 3 -3.2255 -.2138 999.9900 .3501 .6899 -.5998 .6742 .5200 .5842 -.2009 4 VAL 4 -2.2509 999.9900 -1.0788 999.9900 .7810 -.8495 .6617 .1253 .3488 -.3523 5 HIS 5 -1.3805 -1.1713 999.9900 999.9900 .6686 -.6277 .6795 .3144 .4665 -.1779 6 ASN 6 -2.8943 -2.0766 999.9900 999.9900 .7518 -1.4064 .6819 .3764 .5037 -.6322 7 GLN 7 -1.5899 -.7199 999.9900 1.3059 .5113 -.1232 .6774 .5184 .5847 .1172 8 LEU 8 -.0766 -3.3760 999.9900 999.9900 .9565 -.8320 .6731 .1660 .3773 -.3314 9 GLU 9 -.4497 -2.1111 999.9900 -1.0323 .6899 -.7258 .6721 .5252 .5864 -.2843 10 ILE 10 -.1535 .4983 999.9900 999.9900 .6034 .3161 .6545 .0420 .2972 .3289 11 LYS 11 -.2799 -2.9005 999.9900 -.4035 .7460 -.6483 .6782 .1644 .3785 -.3427 12 PHE 12 .0900 .8190 999.9900 999.9900 .7573 .5554 .6749 .1143 .3479 .4911 13 ARG 13 -.4343 -1.3337 999.9900 .1593 .8581 -.1183 .6769 .5174 .5838 .0861 14 LEU 14 -.9403 -3.3760 999.9900 999.9900 .9565 -1.1199 .6801 .1596 .3764 -.5040 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6575 -.2695 .1168 .0870 16 ASP 16 .0771 -2.6388 999.9900 999.9900 .8104 -.5838 .6764 .3769 .5017 -.1396 17 GLY 17 .8709 999.9900 999.9900 999.9900 .7883 .8296 .5994 .4829 .5346 .6854 18 SER 18 .2908 999.9900 -.7153 999.9900 .6705 .0820 .6751 .5363 .5941 .2915 19 ASP 19 -1.2415 -2.3194 999.9900 999.9900 .8104 -.9168 .6772 .3842 .5063 -.3378 20 ILE 20 .2593 -3.0500 999.9900 999.9900 .6034 -.7291 .6608 .0347 .2956 -.2984 21 GLY 21 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .3473 .4819 .4221 .0221 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5422 -.3880 -.0004 .2446 23 LYS 23 -.3414 -2.9005 999.9900 -.4035 .7460 -.6606 .6728 .1519 .3689 -.3540 24 ALA 24 -.7587 999.9900 999.9900 999.9900 .7458 -.0064 .6743 .3198 .4675 .2453 25 PHE 25 -.4041 -.4548 999.9900 999.9900 .7573 -.0339 .4792 .0937 .2543 .0942 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5413 -.3864 .0001 .2561 27 ASP 27 .2994 -1.6521 999.9900 999.9900 .8104 -.1808 .6770 .3748 .5007 .1019 28 ALA 28 -.8750 999.9900 999.9900 999.9900 .7458 -.0646 .6708 .3213 .4669 .2157 29 THR 29 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6561 -.2689 .1166 -.0540 30 THR 30 -.3748 999.9900 .4804 999.9900 .4476 .1844 .6565 -.2724 .1146 .1874 31 VAL 31 -1.6906 999.9900 .2799 999.9900 .7810 -.2099 .6505 .1053 .3324 .0252 32 SER 32 .9506 999.9900 -.7153 999.9900 .6705 .3019 .6800 .5301 .5925 .4232 33 ALA 33 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6637 .3058 .4549 .5912 34 LEU 34 .9913 -3.3760 999.9900 999.9900 .9565 -.4761 .6820 .1477 .3703 -.1197 35 LYS 35 .8536 -1.2879 999.9900 -.4035 .7460 -.0991 .6800 .1532 .3727 .0483 36 GLU 36 .6116 -.8493 999.9900 -1.0323 .6899 -.1450 .6776 .5200 .5857 .1029 37 THR 37 .8449 999.9900 -.8810 999.9900 .4476 .1372 .6592 -.2381 .1358 .1665 38 VAL 38 1.0462 999.9900 .1416 999.9900 .7810 .6563 .6585 .1093 .3381 .5473 39 ILE 39 1.0067 -2.2551 999.9900 999.9900 .6034 -.2150 .6588 .0337 .2942 .0095 40 SER 40 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6782 .5297 .5916 .4078 41 GLU 41 .1025 -1.3804 999.9900 1.7325 .6899 .2861 .6736 .5287 .5890 .3911 42 TRP 42 -.2716 -3.3859 999.9900 999.9900 .9378 -.9066 .4907 .1940 .3176 -.4070 43 PRO 43 -1.4133 999.9900 999.9900 999.9900 .4496 -.4818 .5451 -.3631 .0153 -.1954 44 ARG 44 .2784 .0043 999.9900 .1593 .8581 .2919 .6798 .5176 .5852 .3796 45 GLU 45 -.1289 -1.7714 999.9900 .3501 .6899 -.2151 .6791 .5179 .5851 .0561 46 LYS 46 -2.5748 -2.9005 999.9900 -.0770 .7460 -.9767 .6779 .1480 .3688 -.5796 47 GLU 47 -3.2255 -1.7714 999.9900 -1.0323 .6899 -1.3348 .6783 .5157 .5834 -.6909 48 ASN 48 -2.5793 .0835 999.9900 999.9900 .7518 -.5813 .6797 .3801 .5049 -.1368 49 GLY 49 -1.4779 999.9900 999.9900 999.9900 .7883 -.3448 .3713 .4820 .4328 .0409 50 PRO 50 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5581 -.3560 .0249 .2099 51 LYS 51 -3.5196 -.4196 999.9900 .5131 .7460 -.4334 .6760 .1549 .3720 -.1909 52 THR 52 -.4146 999.9900 -.8810 999.9900 .4476 -.2827 .6659 -.2724 .1186 -.0909 53 VAL 53 .1911 999.9900 -1.0788 999.9900 .7810 -.0355 .6532 .1217 .3431 .1336 54 LYS 54 .0195 -1.2879 999.9900 .1140 .7460 -.0589 .6756 .1537 .3711 .0764 55 GLU 55 -1.4945 -.7281 999.9900 .3501 .6899 -.2956 .6743 .5142 .5809 .0010 56 VAL 56 .4158 999.9900 -1.0788 999.9900 .7810 .0394 .6543 .1288 .3477 .1802 57 LYS 57 -.2512 -2.4344 999.9900 .5131 .7460 -.1826 .6816 .1596 .3771 -.0103 58 LEU 58 -.0792 -2.9612 999.9900 999.9900 .9565 -.6946 .6810 .1594 .3767 -.2487 59 ILE 59 .2866 .8237 999.9900 999.9900 .6034 .5712 .6580 .0368 .2956 .4817 60 SER 60 -1.1635 999.9900 .3727 999.9900 .6705 -.0401 .6710 .5219 .5840 .2145 61 ALA 61 -2.2766 999.9900 999.9900 999.9900 .7458 -.7654 .6630 .3076 .4557 -.1400 62 GLY 62 .6407 999.9900 999.9900 999.9900 .7883 .7145 .5833 .4718 .5214 .6210 63 LYS 63 -.3099 -2.9005 999.9900 -.0770 .7460 -.5237 .6813 .1473 .3698 -.2557 64 VAL 64 -.4485 999.9900 .3968 999.9900 .7810 .2431 .6625 .1246 .3487 .3033 65 LEU 65 -.1897 -3.3760 999.9900 999.9900 .9565 -.8697 .6734 .1562 .3717 -.3559 66 GLU 66 -.4269 -1.1891 999.9900 .3501 .6899 -.1440 .6788 .5285 .5911 .1052 67 ASN 67 .1528 -1.5725 999.9900 999.9900 .7518 -.2226 .6796 .3950 .5136 .0814 68 SER 68 .1178 999.9900 -.7153 999.9900 .6705 .0243 .6772 .5265 .5893 .2553 69 LYS 69 -.9723 1.1634 999.9900 -.4035 .7460 .0260 .6799 .1546 .3734 .1378 70 THR 70 -.1684 999.9900 -.2947 999.9900 .4476 -.0052 .6554 -.2469 .1291 .0786 71 VAL 71 -.2793 999.9900 .5873 999.9900 .7810 .3630 .6623 .1281 .3507 .3759 72 LYS 72 .8536 -.9951 999.9900 .4411 .7460 .2974 .6789 .1500 .3704 .3308 73 ASP 73 .2251 -1.7105 999.9900 999.9900 .8104 -.2250 .6708 .3801 .5012 .0752 74 TYR 74 -1.0804 -4.1972 999.9900 999.9900 .5630 -1.5716 .6824 -.1804 .1791 -.8425 75 ARG 75 -1.2588 -2.8571 999.9900 1.3960 .8581 -.0932 .6783 .5187 .5852 .1045 76 SER 76 .1748 999.9900 -.7153 999.9900 .6705 .0433 .5014 .5226 .5138 .2308 77 PRO 77 -2.2417 999.9900 999.9900 999.9900 .4496 -.8960 .5613 -.3692 .0185 -.4000 78 VAL 78 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .6590 .1197 .3444 -.7720 79 SER 79 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6812 .5391 .5983 -.5169 80 ASN 80 -2.8943 -1.3461 999.9900 999.9900 .7518 -1.1629 .6797 .3753 .5021 -.4867 81 LEU 81 -3.7702 -2.9612 999.9900 999.9900 .9565 -1.9249 .6739 .1639 .3764 -.9874 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6638 .3086 .4566 -.4366 83 GLY 83 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5894 .4807 .5290 -.0214 84 ALA 84 -1.1160 999.9900 999.9900 999.9900 .7458 -.1851 .6636 .3333 .4709 .1567 85 VAL 85 -.7345 999.9900 -.0276 999.9900 .7810 .0063 .6600 .1285 .3499 .1615 86 THR 86 .5084 999.9900 .2916 999.9900 .4476 .4159 .6620 -.2383 .1368 .3342 87 THR 87 .1734 999.9900 -.2947 999.9900 .4476 .1088 .6615 -.2521 .1286 .1471 88 MET 88 -.3657 -.4050 999.9900 .9587 .5203 .1771 .6800 .5183 .5857 .3178 89 HIS 89 -.2681 .5126 999.9900 999.9900 .6686 .3044 .6750 .3268 .4719 .3830 90 VAL 90 -.9687 999.9900 .2799 999.9900 .7810 .0308 .6585 .1053 .3358 .1712 91 ILE 91 .4877 -3.0500 999.9900 999.9900 .6034 -.6530 .6614 .0330 .2948 -.2529 92 ILE 92 .1597 -.2003 999.9900 999.9900 .6034 .1876 .6575 .0490 .3026 .2539 93 GLN 93 -1.6601 -1.3011 999.9900 1.3059 .5113 -.2860 .6808 .5157 .5845 .0087 94 ALA 94 -.9610 999.9900 999.9900 999.9900 .7458 -.1076 .4653 .3257 .3839 .1439 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5495 -.3575 .0204 .0862 96 VAL 96 -2.1543 999.9900 -1.0788 999.9900 .7810 -.8173 .6530 .1194 .3417 -.3359 97 THR 97 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6543 -.2583 .1219 -.8488 98 GLU 98 -2.8104 -1.4588 999.9900 .3501 .6899 -.8073 .6730 .5239 .5860 -.3387 99 LYS 99 -3.0472 -1.5918 999.9900 -.4035 .7460 -.9400 .6767 .1564 .3732 -.5524 100 GLU 100 -1.4621 .8592 999.9900 -1.0323 .6899 -.2363 .6771 .5282 .5902 .0433 101 LYS 101 999.9900 .1966 999.9900 -.0770 999.9900 .0142 .6751 -.0177 .2792 .1400 Means: -.7786 -1.5388 -.4399 .1220 .6979 -.3029 .6489 .2046 .3904 -.0228 2.00 analyzed_4