1 GLU 1 999.9900 -.1645 999.9900 -1.0323 .6899 -.1690 .6715 .5174 .5874 .1364 2 ALA 2 -.6837 999.9900 999.9900 999.9900 .7458 .0311 .6622 .3200 .4626 .2611 3 GLU 3 -3.2255 -1.6501 999.9900 1.1588 .6899 -.7567 .6777 .5232 .5876 -.3043 4 VAL 4 -2.2509 999.9900 -.5532 999.9900 .7810 -.6743 .6575 .1200 .3440 -.2491 5 HIS 5 -.8643 -3.1083 999.9900 999.9900 .6686 -1.1013 .6727 .3286 .4719 -.4605 6 ASN 6 -3.4329 -3.3254 999.9900 999.9900 .7518 -2.0021 .6793 .3804 .5049 -.9894 7 GLN 7 -1.9302 -2.6982 999.9900 1.3059 .5113 -.7028 .6808 .5203 .5871 -.2684 8 LEU 8 .0762 -2.5464 999.9900 999.9900 .9565 -.5045 .6739 .1611 .3748 -.1357 9 GLU 9 -.4497 -2.3808 999.9900 -1.0323 .6899 -.7932 .6765 .5256 .5884 -.3285 10 ILE 10 .1962 .4202 999.9900 999.9900 .6034 .4066 .6592 .0404 .2982 .3839 11 LYS 11 -.3038 -2.9005 999.9900 .1731 .7460 -.4224 .6813 .1536 .3735 -.1825 12 PHE 12 .0058 .8396 999.9900 999.9900 .7573 .5342 .6765 .0822 .3299 .4723 13 ARG 13 -.8609 -2.8571 999.9900 .5548 .8581 -.3501 .6790 .5199 .5862 -.0788 14 LEU 14 -.6961 -1.8410 999.9900 999.9900 .9565 -.5269 .6795 .1653 .3796 -.1471 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6557 -.2778 .1112 .0849 16 ASP 16 .0771 -1.5978 999.9900 999.9900 .8104 -.2368 .6761 .3820 .5045 .0696 17 GLY 17 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5807 .4785 .5239 .7197 18 SER 18 -.1309 999.9900 -.7153 999.9900 .6705 -.0586 .6765 .5344 .5936 .2070 19 ASP 19 -1.2415 -2.3194 999.9900 999.9900 .8104 -.9168 .6805 .3823 .5066 -.3375 20 ILE 20 .0813 .8778 999.9900 999.9900 .6034 .5209 .6614 .0363 .2968 .4521 21 GLY 21 -1.2645 999.9900 999.9900 999.9900 .7883 -.2381 .3423 .4687 .4125 .0837 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5474 -.3808 .0059 .2477 23 LYS 23 -.3414 -.1697 999.9900 -.4035 .7460 -.1144 .6769 .1467 .3676 .0359 24 ALA 24 -.7791 999.9900 999.9900 999.9900 .7458 -.0166 .6734 .3199 .4672 .2400 25 PHE 25 -.0017 -1.1403 999.9900 999.9900 .7573 -.1282 .4839 .1131 .2676 .0425 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5557 -.3630 .0198 .2655 27 ASP 27 .2994 -.7152 999.9900 999.9900 .8104 .1315 .6748 .3838 .5050 .2906 28 ALA 28 -.8335 999.9900 999.9900 999.9900 .7458 -.0439 .6698 .3249 .4686 .2267 29 THR 29 -.3748 999.9900 -.8810 999.9900 .4476 -.2694 .6523 -.2504 .1257 -.0813 30 THR 30 -.2075 999.9900 -.8810 999.9900 .4476 -.2137 .6580 -.2566 .1245 -.0479 31 VAL 31 -.1888 999.9900 -.0276 999.9900 .7810 .1882 .6640 .1144 .3434 .2686 32 SER 32 .8349 999.9900 -.0289 999.9900 .6705 .4922 .6791 .5334 .5941 .5378 33 ALA 33 -.2252 999.9900 999.9900 999.9900 .7458 .2603 .6636 .3102 .4575 .3736 34 LEU 34 .9913 -3.3760 999.9900 999.9900 .9565 -.4761 .6792 .1448 .3675 -.1208 35 LYS 35 .6780 -1.8181 999.9900 -.0770 .7460 -.1096 .6776 .1498 .3698 .0399 36 GLU 36 .8604 -1.7714 999.9900 -1.0323 .6899 -.3134 .6793 .5228 .5880 -.0085 37 THR 37 1.2375 999.9900 -.8810 999.9900 .4476 .2680 .6586 -.2629 .1211 .2399 38 VAL 38 .7260 999.9900 .7395 999.9900 .7810 .7489 .6553 .1258 .3464 .6055 39 ILE 39 .7069 .5468 999.9900 999.9900 .6034 .6190 .6578 .0325 .2930 .5095 40 SER 40 .7489 999.9900 -.7153 999.9900 .6705 .2347 .6759 .5328 .5924 .3825 41 GLU 41 -.7937 -1.9198 999.9900 -1.0323 .6899 -.7640 .6775 .5217 .5866 -.3094 42 TRP 42 -.4195 -.4963 999.9900 999.9900 .9378 .0073 .4969 .1933 .3198 .1424 43 PRO 43 -.5949 999.9900 999.9900 999.9900 .4496 -.0726 .5461 -.3703 .0115 .0076 44 ARG 44 -.6927 -1.2607 999.9900 .1593 .8581 -.1553 .6822 .5197 .5874 .0607 45 GLU 45 -.1289 .5254 999.9900 -1.0323 .6899 .0135 .6792 .5190 .5857 .2087 46 LYS 46 -1.8854 -1.4228 999.9900 -.0397 .7460 -.5283 .6753 .1568 .3729 -.2585 47 GLU 47 -2.8104 .6687 999.9900 1.1588 .6899 -.0733 .6733 .5277 .5884 .1513 48 ASN 48 .3725 .2511 999.9900 999.9900 .7518 .4585 .6746 .3745 .4995 .4849 49 GLY 49 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .3658 .4722 .4249 -.4650 50 PRO 50 -2.2417 999.9900 999.9900 999.9900 .4496 -.8960 .5478 -.3571 .0200 -.4003 51 LYS 51 -3.5196 -1.5918 999.9900 .2495 .7460 -.7733 .6801 .1615 .3776 -.4321 52 THR 52 .2328 999.9900 -.8810 999.9900 .4476 -.0669 .6578 -.2592 .1229 .0396 53 VAL 53 -.8511 999.9900 -1.0788 999.9900 .7810 -.3829 .6592 .1227 .3462 -.0734 54 LYS 54 -.4018 -2.1617 999.9900 .1140 .7460 -.3179 .6817 .1608 .3778 -.1067 55 GLU 55 -2.3953 -1.9198 999.9900 -1.0323 .6899 -1.1644 .6705 .5225 .5842 -.5774 56 VAL 56 .0429 999.9900 -1.0788 999.9900 .7810 -.0849 .6603 .1158 .3427 .1043 57 LYS 57 -.6747 -1.1257 999.9900 -.4035 .7460 -.3723 .6742 .1579 .3731 -.1470 58 LEU 58 -.0411 -2.4128 999.9900 999.9900 .9565 -.4991 .6727 .1601 .3737 -.1329 59 ILE 59 -.1366 -3.0500 999.9900 999.9900 .6034 -.8611 .6562 .0419 .2979 -.3770 60 SER 60 -1.3485 999.9900 -.7153 999.9900 .6705 -.4644 .6791 .5319 .5933 -.0364 61 ALA 61 -2.4409 999.9900 999.9900 999.9900 .7458 -.8476 .6693 .3315 .4722 -.1736 62 GLY 62 -.8286 999.9900 999.9900 999.9900 .7883 -.0201 .5767 .4676 .5161 .2510 63 LYS 63 -.2455 -2.9005 999.9900 .1731 .7460 -.4108 .6687 .1509 .3666 -.1763 64 VAL 64 -.3682 999.9900 .8662 999.9900 .7810 .4263 .6539 .1112 .3373 .4088 65 LEU 65 -.1196 -2.1315 999.9900 999.9900 .9565 -.4315 .6753 .1592 .3743 -.0920 66 GLU 66 -1.1499 -1.5476 999.9900 -1.0323 .6899 -.7600 .6761 .5184 .5841 -.3076 67 ASN 67 .1528 -1.8756 999.9900 999.9900 .7518 -.3236 .6774 .3821 .5051 .0177 68 SER 68 .4533 999.9900 -.7153 999.9900 .6705 .1362 .6770 .5297 .5911 .3230 69 LYS 69 -.4999 -.7632 999.9900 .2868 .7460 .0113 .6768 .1573 .3737 .1272 70 THR 70 -.7465 999.9900 -.2947 999.9900 .4476 -.1979 .6621 -.2587 .1250 -.0380 71 VAL 71 -.2252 999.9900 .8055 999.9900 .7810 .4538 .6498 .1251 .3437 .4272 72 LYS 72 .9480 -.7357 999.9900 -.4035 .7460 .0303 .6759 .1511 .3698 .1398 73 ASP 73 .6201 -2.1980 999.9900 999.9900 .8104 -.2558 .6779 .3769 .5023 .0575 74 TYR 74 -.4658 -4.1972 999.9900 999.9900 .5630 -1.3667 .6750 -.1779 .1775 -.7206 75 ARG 75 -1.4842 -2.8571 999.9900 .1593 .8581 -.6329 .6712 .5157 .5805 -.2825 76 SER 76 .0135 999.9900 -.7153 999.9900 .6705 -.0104 .4858 .5332 .5134 .1975 77 PRO 77 -4.5055 999.9900 999.9900 999.9900 .4496 -2.0279 .5433 -.3849 .0019 -.9744 78 VAL 78 -2.7360 999.9900 -1.0788 999.9900 .7810 -1.0113 .6569 .1142 .3403 -.4525 79 SER 79 -.2251 999.9900 -.7153 999.9900 .6705 -.0900 .6752 .5356 .5937 .1882 80 ASN 80 -.7402 -.7732 999.9900 999.9900 .7518 -.2538 .6776 .3795 .5037 .0591 81 LEU 81 -3.7702 -3.3760 999.9900 999.9900 .9565 -2.0632 .6803 .1519 .3721 -1.0715 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6605 .3246 .4645 -.4334 83 GLY 83 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5820 .4754 .5227 -.0780 84 ALA 84 -.7199 999.9900 999.9900 999.9900 .7458 .0129 .6643 .3215 .4644 .2529 85 VAL 85 -.7345 999.9900 -.0276 999.9900 .7810 .0063 .6545 .1198 .3426 .1586 86 THR 86 .1937 999.9900 -.8810 999.9900 .4476 -.0799 .6600 -.2531 .1273 .0334 87 THR 87 .1937 999.9900 -.2947 999.9900 .4476 .1155 .6572 -.2362 .1361 .1535 88 MET 88 -.1902 -.6258 999.9900 .9587 .5203 .1657 .6821 .5234 .5895 .3114 89 HIS 89 -.2681 -1.1713 999.9900 999.9900 .6686 -.2569 .6771 .3273 .4730 .0467 90 VAL 90 -1.1939 999.9900 .9224 999.9900 .7810 .1698 .6606 .1362 .3547 .2613 91 ILE 91 -.6113 -3.0500 999.9900 999.9900 .6034 -1.0193 .6592 .0365 .2960 -.4724 92 ILE 92 .0718 -1.3043 999.9900 999.9900 .6034 -.2097 .6555 .0495 .3020 .0152 93 GLN 93 -.7947 -1.0287 999.9900 1.3059 .5113 -.0015 .6780 .5305 .5919 .2004 94 ALA 94 -.9610 999.9900 999.9900 999.9900 .7458 -.1076 .4782 .3237 .3881 .1467 95 PRO 95 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5476 -.3658 .0148 .2048 96 VAL 96 -2.0685 999.9900 -1.0788 999.9900 .7810 -.7887 .6617 .1164 .3436 -.3176 97 THR 97 -.8088 999.9900 -.2947 999.9900 .4476 -.2186 .6570 -.2603 .1219 -.0518 98 GLU 98 -2.3953 -2.3808 999.9900 1.1588 .6899 -.7319 .6798 .5201 .5867 -.2879 99 LYS 99 -3.5196 -1.2879 999.9900 .6506 .7460 -.5521 .6837 .1683 .3830 -.2726 100 GLU 100 -3.2255 -.8493 999.9900 .3501 .6899 -.7587 .6738 .5232 .5859 -.3063 101 LYS 101 999.9900 -1.6955 999.9900 -.4035 999.9900 -.8342 .6765 -.0248 .2757 -.3702 Means: -.7380 -1.5702 -.4474 .0398 .6979 -.3076 .6483 .2057 .3907 -.0257 2.00 analyzed_13