1 MET 1 999.9900 -1.4323 999.9900 1.7963 .5203 .2948 .6687 .4920 .5723 .4090 2 GLY 2 -1.4779 999.9900 999.9900 999.9900 .7883 -.3448 .5740 .4798 .5217 .0911 3 HIS 3 -1.9498 -2.4183 999.9900 999.9900 .6686 -1.2332 .6766 .3258 .4719 -.5394 4 HIS 4 -1.6168 -3.1083 999.9900 999.9900 .6686 -1.3522 .6815 .3122 .4660 -.6126 5 HIS 5 -.5879 -.1773 999.9900 999.9900 .6686 -.0322 .6763 .3226 .4700 .1805 6 HIS 6 -1.4902 -2.4183 999.9900 999.9900 .6686 -1.0800 .6730 .3105 .4615 -.4513 7 HIS 7 -1.1973 -2.4183 999.9900 999.9900 .6686 -.9823 .6796 .3265 .4736 -.3882 8 HIS 8 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6778 .3347 .4776 -.9031 9 LEU 9 -1.9664 -2.9612 999.9900 999.9900 .9565 -1.3237 .6751 .1532 .3706 -.6286 10 GLU 10 -.5648 -1.4588 999.9900 .3501 .6899 -.2459 .6742 .5158 .5818 .0344 11 MET 11 -.9371 -2.5481 999.9900 .9587 .5203 -.5016 .6852 .5141 .5854 -.1345 12 ALA 12 -2.2093 999.9900 999.9900 999.9900 .7458 -.7317 .6651 .3168 .4619 -.1204 13 SER 13 -1.1873 999.9900 -.7153 999.9900 .6705 -.4107 .6746 .5326 .5917 -.0050 14 GLU 14 -1.3476 -.7564 999.9900 -1.0323 .6899 -.6116 .6838 .5250 .5912 -.2063 15 GLU 15 -2.8104 -2.8418 999.9900 .3501 .6899 -1.1531 .6801 .5196 .5865 -.5688 16 GLY 16 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5791 .4586 .5122 .7144 17 GLN 17 -.3640 -2.6982 999.9900 1.3059 .5113 -.3112 .6774 .5242 .5880 -.0072 18 VAL 18 -.3682 999.9900 -1.0788 999.9900 .7810 -.2220 .6609 .1299 .3511 .0250 19 ILE 19 -.4647 -1.4972 999.9900 999.9900 .6034 -.4528 .6617 .0455 .3023 -.1303 20 ALA 20 -.7587 999.9900 999.9900 999.9900 .7458 -.0064 .6625 .3136 .4590 .2408 21 CYS 21 -.6060 999.9900 .1296 999.9900 .9108 .1448 .6779 .3211 .4698 .2867 22 HIS 22 -.7145 1.3140 999.9900 999.9900 .6686 .4227 .6774 .3210 .4695 .4533 23 THR 23 -.5585 999.9900 -.8810 999.9900 .4476 -.3307 .6594 -.2493 .1293 -.1164 24 VAL 24 -.2954 999.9900 .5873 999.9900 .7810 .3576 .6590 .1313 .3512 .3727 25 GLU 25 .8733 -.8834 999.9900 -1.0323 .6899 -.0882 .6771 .5244 .5880 .1415 26 THR 26 .7717 999.9900 .2916 999.9900 .4476 .5036 .6608 -.2554 .1263 .3833 27 TRP 27 .9545 -1.9067 999.9900 999.9900 .9378 -.0048 .6808 .1866 .3925 .1706 28 ASN 28 1.0488 -2.0766 999.9900 999.9900 .7518 -.0920 .6746 .3793 .5023 .1556 29 GLU 29 .8604 -.9194 999.9900 .3501 .6899 .2452 .6786 .5144 .5828 .3623 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6781 .5180 .5847 .1754 31 LEU 31 .8182 -1.6805 999.9900 999.9900 .9565 .0314 .6826 .1472 .3703 .1848 32 GLN 32 .7451 -1.3908 999.9900 1.3059 .5113 .2929 .6757 .5176 .5835 .3941 33 LYS 33 .8536 -1.2879 999.9900 -.0397 .7460 .0464 .6754 .1610 .3753 .1527 34 ALA 34 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6616 .3235 .4644 .5668 35 ASN 35 -.1896 -2.0766 999.9900 999.9900 .7518 -.5048 .6732 .3713 .4971 -.0940 36 GLU 36 .1449 -1.1891 999.9900 1.1588 .6899 .2011 .6813 .5280 .5919 .3356 37 SER 37 .2458 999.9900 -.7153 999.9900 .6705 .0670 .6695 .5278 .5869 .2797 38 LYS 38 -1.5129 -.9951 999.9900 -.4035 .7460 -.5138 .6833 .1674 .3823 -.2455 39 THR 39 .3531 999.9900 -.8810 999.9900 .4476 -.0268 .6538 -.2470 .1283 .0653 40 LEU 40 -.1991 -2.9612 999.9900 999.9900 .9565 -.7346 .6776 .1538 .3721 -.2745 41 VAL 41 -.0951 999.9900 -1.0788 999.9900 .7810 -.1310 .6505 .1286 .3461 .0772 42 VAL 42 .5686 999.9900 -1.0788 999.9900 .7810 .0903 .6561 .1200 .3434 .2094 43 VAL 43 -.1306 999.9900 -.2457 999.9900 .7810 .1349 .6598 .1089 .3385 .2347 44 ASP 44 -.6569 -.5889 999.9900 999.9900 .8104 -.1452 .6747 .3866 .5067 .1252 45 PHE 45 .0058 .2658 999.9900 999.9900 .7573 .3430 .6734 .0982 .3379 .3601 46 THR 46 -.0676 999.9900 -.8810 999.9900 .4476 -.1670 .6583 -.2704 .1166 -.0226 47 ALA 47 -.7246 999.9900 999.9900 999.9900 .7458 .0106 .6735 .3088 .4608 .2509 48 SER 48 .6980 999.9900 .3727 999.9900 .6705 .5804 .6772 .5311 .5920 .5899 49 TRP 49 -1.3140 -3.3859 999.9900 999.9900 .9378 -1.2540 .6813 .1890 .3941 -.5784 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6791 .3134 .4658 -.1549 51 GLY 51 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .3236 .4615 .4002 -.0175 52 PRO 52 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5361 -.3772 .0034 -.1263 53 CYS 53 .4024 -1.5342 999.9900 .2382 .9108 .0043 .6804 .3095 .4640 .1679 54 ARG 54 .6041 -.1877 999.9900 .6901 .8581 .5309 .6728 .5138 .5800 .5487 55 PHE 55 -.3097 .0348 999.9900 999.9900 .7573 .1608 .6823 .1040 .3450 .2538 56 ILE 56 -1.5441 -3.0500 999.9900 999.9900 .6034 -1.3302 .6546 .0439 .2984 -.6584 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4812 .3077 .3800 .4746 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5424 -.3758 .0068 -.1244 59 PHE 59 1.0502 -2.6964 999.9900 999.9900 .7573 -.2963 .6767 .0940 .3368 -.0236 60 PHE 60 .8041 -.0090 999.9900 999.9900 .7573 .5175 .6770 .1048 .3432 .4669 61 ALA 61 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6673 .3214 .4655 .5246 62 ASP 62 1.3227 -2.6388 999.9900 999.9900 .8104 -.1685 .6765 .3731 .4995 .1088 63 LEU 63 .8475 -2.2115 999.9900 999.9900 .9565 -.1358 .6776 .1465 .3678 .0833 64 ALA 64 .9879 999.9900 999.9900 999.9900 .7458 .8668 .6634 .3279 .4677 .6812 65 LYS 65 .0195 -.7357 999.9900 -.0770 .7460 -.0248 .6719 .1526 .3690 .1000 66 LYS 66 -.6960 .4914 999.9900 -.0397 .7460 .0924 .6776 .1481 .3687 .1839 67 LEU 67 -1.7747 -1.8889 999.9900 999.9900 .9565 -.9024 .4832 .1589 .2940 -.4130 68 PRO 68 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .5356 -.3864 -.0022 -.4294 69 ASN 69 -1.0675 -1.5725 999.9900 999.9900 .7518 -.6294 .6792 .3770 .5029 -.1664 70 VAL 70 -.3682 999.9900 -.2457 999.9900 .7810 .0557 .6617 .1115 .3407 .1881 71 LEU 71 .0986 -2.0611 999.9900 999.9900 .9565 -.3353 .6708 .1510 .3676 -.0368 72 PHE 72 .1097 -2.5581 999.9900 999.9900 .7573 -.5637 .6814 .0996 .3420 -.1820 73 LEU 73 -.8032 -2.9612 999.9900 999.9900 .9565 -.9359 .6773 .1506 .3700 -.3960 74 LYS 74 -.1919 -1.5918 999.9900 -.4035 .7460 -.3689 .6797 .1456 .3681 -.1456 75 VAL 75 .1158 999.9900 .5873 999.9900 .7810 .4947 .6565 .1187 .3428 .4519 76 ASP 76 -.0991 -2.3194 999.9900 999.9900 .8104 -.5360 .6807 .3796 .5051 -.1096 77 THR 77 .7717 999.9900 .0483 999.9900 .4476 .4225 .6530 -.2659 .1170 .3309 78 ASP 78 1.1359 -1.0785 999.9900 999.9900 .8104 .2892 .6804 .3766 .5032 .3849 79 GLU 79 -.8591 -1.3804 999.9900 -1.0323 .6899 -.6455 .6791 .5301 .5922 -.2288 80 LEU 80 -3.0384 -2.5464 999.9900 999.9900 .9565 -1.5427 .6823 .1571 .3760 -.7578 81 LYS 81 .9480 -1.9682 999.9900 -.4035 .7460 -.2162 .6786 .1487 .3695 -.0363 82 SER 82 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6725 .5320 .5906 .4692 83 VAL 83 .2188 999.9900 .5873 999.9900 .7810 .5291 .6569 .1125 .3393 .4713 84 ALA 84 .8241 999.9900 999.9900 999.9900 .7458 .7850 .6689 .3099 .4595 .6372 85 SER 85 1.0911 999.9900 -.7153 999.9900 .6705 .3488 .6805 .5334 .5947 .4520 86 ASP 86 .2706 -2.4630 999.9900 999.9900 .8104 -.4607 .6803 .3821 .5063 -.0639 87 TRP 87 -.3273 .2071 999.9900 999.9900 .9378 .2725 .6713 .1799 .3847 .3338 88 ALA 88 -2.4409 999.9900 999.9900 999.9900 .7458 -.8476 .6719 .3175 .4652 -.1764 89 ILE 89 -1.7126 -.2003 999.9900 999.9900 .6034 -.4365 .6597 .0399 .2981 -.1220 90 GLN 90 -.8581 -2.6982 999.9900 1.3059 .5113 -.4348 .6733 .5092 .5776 -.0928 91 ALA 91 -1.0624 999.9900 999.9900 999.9900 .7458 -.1583 .6649 .3235 .4657 .1679 92 MET 92 -.6588 -2.0676 999.9900 .9587 -1.9874 -.9388 .4776 .5139 .4988 -.4606 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5415 -.3683 .0108 .2606 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6590 -.2634 .1210 .0906 95 PHE 95 -.2457 .2658 999.9900 999.9900 .7573 .2591 .6797 .0981 .3404 .3110 96 MET 96 -.6343 -1.4323 999.9900 .9587 .5203 -.1469 .6738 .5187 .5833 .1008 97 PHE 97 -.0168 -4.3038 999.9900 999.9900 .7573 -1.1878 .6725 .1134 .3463 -.5555 98 LEU 98 -1.1512 -3.3760 999.9900 999.9900 .9565 -1.1902 .6781 .1564 .3738 -.5472 99 LYS 99 -.6960 -.4196 999.9900 .1731 .7460 -.0047 .6701 .1461 .3644 .1133 100 GLU 100 -1.4945 -1.9198 999.9900 -1.0323 .6899 -.9392 .6798 .5197 .5864 -.4262 101 GLY 101 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5886 .4847 .5309 .7439 102 LYS 102 -.3350 -.5289 999.9900 -.0770 .7460 -.0544 .6767 .1561 .3731 .0801 103 ILE 103 -1.3252 .5533 999.9900 999.9900 .6034 -.0562 .6608 .0354 .2960 .1055 104 LEU 104 -2.8468 -.9670 999.9900 999.9900 .9565 -.9524 .6762 .1515 .3701 -.4059 105 ASP 105 -.8891 -1.0785 999.9900 999.9900 .8104 -.3857 .6712 .3696 .4952 -.0233 106 LYS 106 -1.0774 -1.8181 999.9900 -.4035 .7460 -.5913 .6806 .1592 .3765 -.3024 107 VAL 107 -.0463 999.9900 -1.0788 999.9900 .7810 -.1147 .6555 .1178 .3419 .0859 108 VAL 108 -.0951 999.9900 -1.0788 999.9900 .7810 -.1310 .6591 .1115 .3397 .0756 109 GLY 109 -.1914 999.9900 999.9900 999.9900 .7883 .2985 .5675 .4596 .5076 .4060 110 ALA 110 -1.5027 999.9900 999.9900 999.9900 .7458 -.3784 .6630 .3324 .4701 .0596 111 LYS 111 -.9887 -2.1617 999.9900 -.4035 .7460 -.6423 .6791 .1559 .3739 -.3395 112 LYS 112 1.2214 -1.1755 999.9900 -.4035 .7460 -.0030 .6835 .1533 .3742 .1174 113 ASP 113 .9343 -2.6388 999.9900 999.9900 .8104 -.2980 .6781 .3809 .5047 .0330 114 GLU 114 .8171 -1.6501 999.9900 -1.0323 .6899 -.2939 .6804 .5235 .5889 .0047 115 LEU 115 .2355 -2.4128 999.9900 999.9900 .9565 -.4069 .6822 .1641 .3800 -.0749 116 GLN 116 .1632 .1368 999.9900 1.3059 .5113 .5293 .6737 .5180 .5829 .5515 117 SER 117 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6773 .5267 .5895 .4049 118 THR 118 .7717 999.9900 .4804 999.9900 .4476 .5666 .6545 -.2521 .1256 .4204 119 ILE 119 .6852 -.7522 999.9900 999.9900 .6034 .1788 .6512 .0399 .2946 .2455 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6583 .3135 .4572 .5635 121 LYS 121 1.0429 -2.4344 999.9900 -.4035 .7460 -.2905 .6775 .1485 .3689 -.0895 122 HIS 122 .1567 .6357 999.9900 999.9900 .6686 .4870 .6787 .3165 .4674 .4913 123 LEU 123 -.5813 -3.3760 999.9900 999.9900 .9565 -1.0002 .6785 .1591 .3755 -.4326 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6619 .2358 .4184 .4489 Means: -.2983 -1.6263 -.4126 .0942 .7026 -.2096 .6584 .2370 .4131 .0451 2.00 analyzed_10