1 GLU 1 999.9900 -2.8418 999.9900 1.1588 .6899 -.3311 .6733 .5051 .5816 .0371 2 ALA 2 -3.0686 999.9900 999.9900 999.9900 .7458 -1.1614 .6635 .3223 .4644 -.3343 3 GLU 3 -3.2255 -.9977 999.9900 -1.0323 .6899 -1.1414 .6798 .5204 .5869 -.5609 4 VAL 4 -.6656 999.9900 -1.0788 999.9900 .7810 -.3211 .6592 .1300 .3505 -.0348 5 HIS 5 -.5879 -3.1083 999.9900 999.9900 .6686 -1.0092 .6715 .3198 .4663 -.4073 6 ASN 6 -2.3558 -.5828 999.9900 999.9900 .7518 -.7289 .6792 .3857 .5080 -.2244 7 GLN 7 -1.9302 -1.1512 999.9900 1.3059 .5113 -.3160 .6731 .5177 .5824 -.0122 8 LEU 8 .0762 -3.3760 999.9900 999.9900 .9565 -.7811 .6726 .1517 .3687 -.3038 9 GLU 9 -.4497 -2.8418 999.9900 -1.0323 .6899 -.9085 .6786 .5271 .5902 -.4047 10 ILE 10 -.1366 -.3653 999.9900 999.9900 .6034 .0338 .6593 .0467 .3020 .1615 11 LYS 11 -.1715 -2.4344 999.9900 -.4035 .7460 -.5334 .6775 .1432 .3658 -.2637 12 PHE 12 .0490 .3647 999.9900 999.9900 .7573 .3903 .6795 .0953 .3387 .3891 13 ARG 13 -.4343 -1.7413 999.9900 .1593 .8581 -.1998 .6811 .5221 .5883 .0292 14 LEU 14 -.6213 -2.4128 999.9900 999.9900 .9565 -.6925 .6746 .1554 .3717 -.2495 15 THR 15 .1314 999.9900 -.8810 999.9900 .4476 -.1007 .6576 -.2422 .1327 .0227 16 ASP 16 .0771 -2.4630 999.9900 999.9900 .8104 -.5252 .6802 .3836 .5072 -.1023 17 GLY 17 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5868 .4825 .5289 .7429 18 SER 18 -.4771 999.9900 -.7153 999.9900 .6705 -.1740 .6742 .5393 .5955 .1383 19 ASP 19 -1.5212 -2.4630 999.9900 999.9900 .8104 -1.0579 .6731 .3878 .5067 -.4226 20 ILE 20 .3059 -.2679 999.9900 999.9900 .6034 .2138 .6574 .0360 .2949 .2670 21 GLY 21 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .3361 .4622 .4062 .0144 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5550 -.3432 .0311 .2590 23 LYS 23 -.3414 -.1469 999.9900 -.4035 .7460 -.1099 .6760 .1569 .3731 .0405 24 ALA 24 -.8279 999.9900 999.9900 999.9900 .7458 -.0410 .6643 .3140 .4600 .2241 25 PHE 25 -.4973 .0765 999.9900 999.9900 .7573 .1122 .4761 .1089 .2619 .1843 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5474 -.3471 .0256 .2674 27 ASP 27 .2994 -3.7306 999.9900 999.9900 .8104 -.8736 .6781 .3760 .5019 -.3133 28 ALA 28 -.8750 999.9900 999.9900 999.9900 .7458 -.0646 .6678 .3102 .4592 .2122 29 THR 29 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6632 -.2508 .1300 -.0490 30 THR 30 -.6210 999.9900 .0483 999.9900 .4476 -.0417 .6502 -.2460 .1274 .0558 31 VAL 31 -.8511 999.9900 .2799 999.9900 .7810 .0699 .6573 .1277 .3484 .1990 32 SER 32 .9506 999.9900 -.7153 999.9900 .6705 .3019 .6786 .5293 .5915 .4227 33 ALA 33 -.5981 999.9900 999.9900 999.9900 .7458 .0739 .6688 .3235 .4673 .2850 34 LEU 34 .8182 -3.3760 999.9900 999.9900 .9565 -.5337 .6775 .1595 .3753 -.1528 35 LYS 35 1.2214 -1.5918 999.9900 -.4035 .7460 -.0863 .6764 .1569 .3734 .0574 36 GLU 36 1.0761 -1.5476 999.9900 .3501 .6899 .1421 .6755 .5190 .5842 .2938 37 THR 37 .2928 999.9900 -.8810 999.9900 .4476 -.0469 .6546 -.2583 .1221 .0511 38 VAL 38 .5646 999.9900 .7395 999.9900 .7810 .6950 .6568 .1267 .3476 .5737 39 ILE 39 .7069 .6227 999.9900 999.9900 .6034 .6443 .6634 .0460 .3033 .5285 40 SER 40 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6759 .5310 .5913 .4076 41 GLU 41 .8733 -1.9198 999.9900 -1.0323 .6899 -.3472 .6737 .5174 .5825 -.0330 42 TRP 42 .1017 -3.3859 999.9900 999.9900 .9378 -.7821 .4923 .1933 .3179 -.3321 43 PRO 43 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5607 -.3650 .0207 .2550 44 ARG 44 .2784 -2.8571 999.9900 1.0856 .8581 .0901 .6814 .5222 .5885 .2363 45 GLU 45 -.6897 -1.4588 999.9900 -1.0323 .6899 -.6227 .6793 .5164 .5843 -.2159 46 LYS 46 -3.5196 -2.9005 999.9900 .2495 .7460 -1.0350 .6738 .1685 .3790 -.6190 47 GLU 47 -3.2255 -1.6501 999.9900 -1.0323 .6899 -1.3045 .6808 .5285 .5919 -.6681 48 ASN 48 -2.5793 .2511 999.9900 999.9900 .7518 -.5255 .6759 .3822 .5046 -.1036 49 GLY 49 -1.4779 999.9900 999.9900 999.9900 .7883 -.3448 .3583 .4646 .4174 .0333 50 PRO 50 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5597 -.3741 .0150 .2058 51 LYS 51 -3.5196 -.7357 999.9900 .1731 .7460 -.6326 .6772 .1497 .3695 -.3338 52 THR 52 -.5003 999.9900 -.8810 999.9900 .4476 -.3112 .6606 -.2638 .1214 -.1074 53 VAL 53 .1911 999.9900 -1.0788 999.9900 .7810 -.0355 .6605 .1232 .3471 .1354 54 LYS 54 .1686 -2.9005 999.9900 .6177 .7460 -.1501 .6748 .1479 .3675 .0103 55 GLU 55 -1.1689 -1.1891 999.9900 -1.0323 .6899 -.6751 .6764 .5238 .5874 -.2500 56 VAL 56 .1158 999.9900 -1.0788 999.9900 .7810 -.0606 .6546 .1175 .3413 .1180 57 LYS 57 -.2512 -1.8181 999.9900 .3240 .7460 -.1350 .6826 .1660 .3813 .0248 58 LEU 58 .0986 -2.9612 999.9900 999.9900 .9565 -.6354 .6778 .1622 .3770 -.2132 59 ILE 59 -.1241 -.0236 999.9900 999.9900 .6034 .1519 .6550 .0451 .2992 .2312 60 SER 60 -1.2119 999.9900 -.7153 999.9900 .6705 -.4189 .6713 .5329 .5905 -.0105 61 ALA 61 -1.8459 999.9900 999.9900 999.9900 .7458 -.5501 .6716 .3196 .4663 -.0272 62 GLY 62 -.1741 999.9900 999.9900 999.9900 .7883 .3071 .5868 .4771 .5258 .4195 63 LYS 63 -.3099 -1.9682 999.9900 -.4035 .7460 -.4678 .6768 .1675 .3798 -.2135 64 VAL 64 -.4485 999.9900 -1.0788 999.9900 .7810 -.2487 .6494 .1253 .3437 .0057 65 LEU 65 -.0792 -1.3818 999.9900 999.9900 .9565 -.1682 .6791 .1512 .3711 .0651 66 GLU 66 -.3633 -1.9198 999.9900 -1.0323 .6899 -.6564 .6822 .5185 .5867 -.2375 67 ASN 67 .6639 -.9481 999.9900 999.9900 .7518 .1559 .6876 .3892 .5135 .3089 68 SER 68 -.3100 999.9900 -.7153 999.9900 .6705 -.1183 .6754 .5305 .5909 .1702 69 LYS 69 -1.2016 .1761 999.9900 -.0770 .7460 -.0867 .6787 .1443 .3670 .0557 70 THR 70 -.4045 999.9900 -.8810 999.9900 .4476 -.2793 .6594 -.2499 .1290 -.0857 71 VAL 71 .7260 999.9900 .5873 999.9900 .7810 .6981 .6560 .1265 .3472 .5754 72 LYS 72 .6780 -1.9682 999.9900 -.4035 .7460 -.2702 .6784 .1469 .3684 -.0751 73 ASP 73 .2251 -3.7306 999.9900 999.9900 .8104 -.8984 .6767 .3808 .5041 -.3275 74 TYR 74 -1.4375 -4.1972 999.9900 999.9900 .5630 -1.6906 .6766 -.1859 .1735 -.9162 75 ARG 75 -.3796 -2.8571 999.9900 .6901 .8581 -.1997 .6729 .5256 .5870 .0286 76 SER 76 -.3484 999.9900 -.7153 999.9900 .6705 -.1311 .4864 .5337 .5140 .1254 77 PRO 77 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5482 -.3690 .0131 .1602 78 VAL 78 -3.0988 999.9900 -1.0788 999.9900 .7810 -1.1322 .6548 .1111 .3377 -.5261 79 SER 79 -1.4442 999.9900 -.7153 999.9900 .6705 -.4964 .6734 .5208 .5843 -.0590 80 ASN 80 -.9968 .2511 999.9900 999.9900 .7518 .0021 .6791 .3749 .5017 .2120 81 LEU 81 -3.7702 -3.3760 999.9900 999.9900 .9565 -2.0632 .6755 .1473 .3674 -1.0734 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6671 .3151 .4618 -.4342 83 GLY 83 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 .5630 .4714 .5121 -.2122 84 ALA 84 -.9610 999.9900 999.9900 999.9900 .7458 -.1076 .6708 .3242 .4687 .1950 85 VAL 85 -1.1433 999.9900 -.2457 999.9900 .7810 -.2027 .6540 .1303 .3485 .0353 86 THR 86 .3447 999.9900 -.2947 999.9900 .4476 .1659 .6634 -.2635 .1227 .1795 87 THR 87 .1937 999.9900 .7650 999.9900 .4476 .4688 .6590 -.2635 .1209 .3603 88 MET 88 -.2651 -2.0676 999.9900 .9587 .5203 -.2134 .6859 .5236 .5913 .0593 89 HIS 89 -.4125 .4588 999.9900 999.9900 .6686 .2383 .6824 .3289 .4762 .3452 90 VAL 90 -.5494 999.9900 .4980 999.9900 .7810 .2432 .6603 .1144 .3419 .3009 91 ILE 91 .3059 -3.0500 999.9900 999.9900 .6034 -.7136 .6626 .0473 .3037 -.2862 92 ILE 92 .3543 -.9795 999.9900 999.9900 .6034 -.0073 .6554 .0367 .2945 .1341 93 GLN 93 -1.6601 -.9251 999.9900 1.3059 .5113 -.1920 .6763 .5165 .5831 .0708 94 ALA 94 -.9610 999.9900 999.9900 999.9900 .7458 -.1076 .4829 .3167 .3860 .1461 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5436 -.3701 .0106 .0816 96 VAL 96 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .6573 .1235 .3459 -.7716 97 THR 97 .3976 999.9900 -.8810 999.9900 .4476 -.0120 .6604 -.2532 .1275 .0743 98 GLU 98 -3.2255 -2.3808 999.9900 -1.0323 .6899 -1.4872 .6750 .5268 .5886 -.7912 99 LYS 99 -3.5196 -1.6955 999.9900 -.4035 .7460 -1.0552 .6753 .1412 .3637 -.6371 100 GLU 100 -3.2255 -1.9198 999.9900 1.1588 .6899 -.8242 .6776 .5205 .5860 -.3498 101 LYS 101 999.9900 -.4905 999.9900 -.4035 999.9900 -.4325 .6825 -.0400 .2697 -.1310 Means: -.6863 -1.7254 -.5329 -.0279 .6979 -.3343 .6486 .2060 .3911 -.0421 2.00 analyzed_7