1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6692 .5010 .5775 .0202 2 GLY 2 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5774 .4732 .5195 -.4119 3 HIS 3 -3.0884 -2.4183 999.9900 999.9900 .6686 -1.6127 .6790 .3221 .4708 -.7674 4 HIS 4 -.0795 -3.1083 999.9900 999.9900 .6686 -.8397 .6789 .3181 .4685 -.3044 5 HIS 5 -2.5191 .2773 999.9900 999.9900 .6686 -.5244 .6769 .3256 .4720 -.1141 6 HIS 6 -.8643 -3.1083 999.9900 999.9900 .6686 -1.1013 .6753 .3209 .4685 -.4616 7 HIS 7 -.5497 1.0622 999.9900 999.9900 .6686 .3937 .6824 .3150 .4680 .4357 8 HIS 8 -1.7665 -3.1083 999.9900 999.9900 .6686 -1.4021 .6751 .3181 .4668 -.6426 9 LEU 9 -1.9664 -1.3818 999.9900 999.9900 .9565 -.7972 .6806 .1428 .3669 -.3137 10 GLU 10 -.4857 -1.9198 999.9900 -1.0323 .6899 -.6870 .6744 .5127 .5801 -.2601 11 MET 11 -2.2339 -1.1990 999.9900 .9587 .5203 -.4885 .6776 .5182 .5846 -.1264 12 ALA 12 -1.8133 999.9900 999.9900 999.9900 .7458 -.5337 .6678 .3275 .4693 -.0180 13 SER 13 -.3724 999.9900 -.7153 999.9900 .6705 -.1391 .6841 .5399 .6000 .1614 14 GLU 14 -1.9096 -1.5476 999.9900 .3501 .6899 -.6043 .6788 .5259 .5896 -.2021 15 GLU 15 -2.8104 -1.1891 999.9900 -1.0323 .6899 -1.0855 .6806 .5257 .5902 -.5226 16 GLY 16 .7683 999.9900 999.9900 999.9900 .7883 .7783 .5835 .4658 .5181 .6515 17 GLN 17 -.4306 -2.6982 999.9900 2.7911 .5113 .0434 .6768 .5106 .5799 .2268 18 VAL 18 -.6656 999.9900 -.5532 999.9900 .7810 -.1459 .6464 .1287 .3444 .0675 19 ILE 19 -.3198 -1.3617 999.9900 999.9900 .6034 -.3594 .6568 .0503 .3030 -.0742 20 ALA 20 -.7843 999.9900 999.9900 999.9900 .7458 -.0193 .6642 .3251 .4664 .2377 21 CYS 21 -.2217 999.9900 .1296 999.9900 .9108 .2729 .6760 .3123 .4639 .3614 22 HIS 22 -1.1973 1.1064 999.9900 999.9900 .6686 .1926 .6726 .3193 .4665 .3139 23 THR 23 -.5585 999.9900 -.8810 999.9900 .4476 -.3307 .6503 -.2507 .1247 -.1185 24 VAL 24 -.1540 999.9900 .3968 999.9900 .7810 .3413 .6503 .1254 .3441 .3599 25 GLU 25 .7157 -1.5476 999.9900 -1.0323 .6899 -.2936 .6766 .5226 .5868 .0041 26 THR 26 .9379 999.9900 .6346 999.9900 .4476 .6734 .6606 -.2476 .1308 .4866 27 TRP 27 .9545 -2.6463 999.9900 999.9900 .9378 -.2513 .6771 .1856 .3904 .0218 28 ASN 28 .9310 -2.0766 999.9900 999.9900 .7518 -.1312 .6812 .3901 .5114 .1355 29 GLU 29 .8604 .5461 999.9900 .3501 .6899 .6116 .6782 .5293 .5913 .6090 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6787 .5238 .5883 .1764 31 LEU 31 .8182 -1.6805 999.9900 999.9900 .9565 .0314 .6715 .1556 .3706 .1843 32 GLN 32 1.0064 -.5630 999.9900 1.3059 .5113 .5652 .6776 .5239 .5879 .5770 33 LYS 33 .6780 -2.4344 999.9900 -.0397 .7460 -.2180 .6783 .1531 .3719 -.0369 34 ALA 34 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6617 .3176 .4610 .5654 35 ASN 35 -.1896 -1.5725 999.9900 999.9900 .7518 -.3368 .6810 .3911 .5119 .0124 36 GLU 36 .1449 -.1765 999.9900 -1.0323 .6899 -.0935 .6794 .5151 .5836 .1368 37 SER 37 -.0687 999.9900 -.7153 999.9900 .6705 -.0378 .6784 .5300 .5918 .2190 38 LYS 38 -1.2247 -.9951 999.9900 -.0770 .7460 -.3256 .6769 .1587 .3746 -.1132 39 THR 39 -.1996 999.9900 -.8810 999.9900 .4476 -.2110 .6624 -.2593 .1247 -.0460 40 LEU 40 -.3571 -3.3760 999.9900 999.9900 .9565 -.9255 .6810 .1568 .3752 -.3878 41 VAL 41 .0764 999.9900 -1.0788 999.9900 .7810 -.0738 .6596 .1170 .3431 .1111 42 VAL 42 .5686 999.9900 -1.0788 999.9900 .7810 .0903 .6631 .1135 .3425 .2095 43 VAL 43 -.0288 999.9900 .4980 999.9900 .7810 .4168 .6631 .1176 .3449 .4062 44 ASP 44 -.3633 .2365 999.9900 999.9900 .8104 .2279 .6783 .3780 .5031 .3480 45 PHE 45 .0900 -.1035 999.9900 999.9900 .7573 .2479 .6782 .0789 .3286 .3002 46 THR 46 .5049 999.9900 -.8810 999.9900 .4476 .0238 .6631 -.2319 .1410 .1005 47 ALA 47 -.5338 999.9900 999.9900 999.9900 .7458 .1060 .6602 .3191 .4612 .2978 48 SER 48 .6980 999.9900 -.7153 999.9900 .6705 .2177 .6724 .5317 .5903 .3714 49 TRP 49 -1.3140 .6759 999.9900 999.9900 .9378 .0999 .6803 .1896 .3941 .2339 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6724 .3011 .4558 -.1581 51 GLY 51 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .3590 .4732 .4224 -.4665 52 PRO 52 -.1156 999.9900 999.9900 999.9900 .4496 .1670 .5439 -.3552 .0194 .1307 53 CYS 53 .4024 -2.0054 999.9900 .2382 .9108 -.1135 .6762 .3155 .4658 .0896 54 ARG 54 .6041 -.0540 999.9900 .1593 .8581 .3454 .6737 .5143 .5807 .4164 55 PHE 55 -.5871 -.8310 999.9900 999.9900 .7573 -.2203 .6759 .1105 .3461 .0251 56 ILE 56 -1.5193 -3.0500 999.9900 999.9900 .6034 -1.3220 .6657 .0490 .3060 -.6502 57 ALA 57 .6648 999.9900 999.9900 999.9900 .7458 .7053 .4801 .3231 .3885 .5534 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5382 -.3881 -.0022 -.1285 59 PHE 59 1.0502 -1.6164 999.9900 999.9900 .7573 .0637 .6801 .0969 .3399 .1936 60 PHE 60 .6090 -2.3327 999.9900 999.9900 .7573 -.3221 .6804 .0934 .3380 -.0385 61 ALA 61 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6638 .3213 .4640 .5951 62 ASP 62 1.0815 -1.2276 999.9900 999.9900 .8104 .2214 .6796 .3828 .5064 .3453 63 LEU 63 .8786 -2.4128 999.9900 999.9900 .9565 -.1926 .6774 .1567 .3737 .0513 64 ALA 64 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6719 .3191 .4661 .5966 65 LYS 65 .4938 -.0243 999.9900 .3240 .7460 .3727 .6733 .1501 .3681 .3839 66 LYS 66 -.4232 -2.1617 999.9900 .4405 .7460 -.1916 .6744 .1615 .3752 -.0174 67 LEU 67 -1.9234 -1.6805 999.9900 999.9900 .9565 -.8824 .4837 .1579 .2936 -.4011 68 PRO 68 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5484 -.3961 -.0026 -.1280 69 ASN 69 -.3482 -2.0766 999.9900 999.9900 .7518 -.5577 .6796 .3853 .5079 -.1216 70 VAL 70 -.3682 999.9900 .1416 999.9900 .7810 .1848 .6601 .1224 .3464 .2674 71 LEU 71 .0762 -2.5464 999.9900 999.9900 .9565 -.5045 .6759 .1488 .3684 -.1378 72 PHE 72 .1097 -2.5581 999.9900 999.9900 .7573 -.5637 .6748 .0994 .3391 -.1834 73 LEU 73 -.6392 -2.9612 999.9900 999.9900 .9565 -.8813 .6780 .1577 .3745 -.3616 74 LYS 74 -.6747 -2.9005 999.9900 .1140 .7460 -.5202 .6743 .1545 .3711 -.2532 75 VAL 75 .3372 999.9900 .1416 999.9900 .7810 .4200 .6572 .1168 .3420 .4068 76 ASP 76 .0771 -2.8653 999.9900 999.9900 .8104 -.6593 .6798 .3762 .5027 -.1844 77 THR 77 .1314 999.9900 -.8810 999.9900 .4476 -.1007 .6633 -.2765 .1151 .0169 78 ASP 78 1.1359 -1.5469 999.9900 999.9900 .8104 .1331 .6743 .3809 .5031 .2909 79 GLU 79 -1.3222 -1.7714 999.9900 -1.0323 .6899 -.8590 .6802 .5144 .5835 -.3735 80 LEU 80 -3.3085 -3.3760 999.9900 999.9900 .9565 -1.9093 .6781 .1493 .3696 -.9801 81 LYS 81 .8536 -1.8181 999.9900 -.4035 .7460 -.2051 .6771 .1556 .3729 -.0276 82 SER 82 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6810 .5383 .5978 .4722 83 VAL 83 1.0462 999.9900 .5873 999.9900 .7810 .8049 .6596 .1186 .3440 .6385 84 ALA 84 .8001 999.9900 999.9900 999.9900 .7458 .7729 .6648 .3193 .4632 .6325 85 SER 85 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6746 .5264 .5881 .4042 86 ASP 86 .9343 -1.3712 999.9900 999.9900 .8104 .1245 .6791 .3700 .4988 .2845 87 TRP 87 -.3875 -1.0414 999.9900 999.9900 .9378 -.1637 .6825 .1885 .3943 .0760 88 ALA 88 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6572 .3177 .4592 -.4360 89 ILE 89 -3.1479 -.2247 999.9900 999.9900 .6034 -.9231 .6569 .0461 .3006 -.4132 90 GLN 90 -.5313 -2.6982 999.9900 1.3059 .5113 -.3531 .6699 .5177 .5811 -.0374 91 ALA 91 -.7637 999.9900 999.9900 999.9900 .7458 -.0090 .6657 .3133 .4601 .2403 92 MET 92 -.5247 -.4711 999.9900 .9587 -1.9874 -.5061 .4999 .5240 .5140 -.1668 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5467 -.3943 -.0022 .2555 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6595 -.2636 .1210 .0907 95 PHE 95 -.2986 .2658 999.9900 999.9900 .7573 .2415 .6777 .1105 .3469 .3025 96 MET 96 -.2520 .5321 999.9900 .9587 .5203 .4398 .6752 .5232 .5865 .4929 97 PHE 97 -.2986 -3.6820 999.9900 999.9900 .7573 -1.0744 .6832 .0865 .3351 -.4907 98 LEU 98 -1.2966 -3.3760 999.9900 999.9900 .9565 -1.2387 .6794 .1633 .3783 -.5747 99 LYS 99 -.6960 -1.0359 999.9900 -.4035 .7460 -.3586 .6740 .1544 .3709 -.1378 100 GLU 100 -1.4621 -1.6501 999.9900 -1.0323 .6899 -.8637 .6714 .5217 .5841 -.3769 101 GLY 101 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5854 .4713 .5220 .7191 102 LYS 102 -.2858 -1.8181 999.9900 -.4035 .7460 -.4330 .6767 .1470 .3677 -.1916 103 ILE 103 -1.3252 .8809 999.9900 999.9900 .6034 .0530 .6554 .0445 .2990 .1718 104 LEU 104 -2.1729 -.9670 999.9900 999.9900 .9565 -.7278 .6749 .1554 .3718 -.2706 105 ASP 105 -.6293 -3.7306 999.9900 999.9900 .8104 -1.1832 .6806 .3911 .5117 -.4956 106 LYS 106 -1.0774 -1.3520 999.9900 -.4035 .7460 -.4981 .6757 .1608 .3753 -.2363 107 VAL 107 -.0463 999.9900 .4980 999.9900 .7810 .4109 .6561 .1138 .3397 .4005 108 VAL 108 -.0951 999.9900 -1.0788 999.9900 .7810 -.1310 .6626 .1249 .3489 .0789 109 GLY 109 -.5702 999.9900 999.9900 999.9900 .7883 .1090 .5812 .4708 .5198 .3175 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6646 .3208 .4640 .0703 111 LYS 111 -.9887 -2.1617 999.9900 -.4035 .7460 -.6423 .6728 .1547 .3706 -.3406 112 LYS 112 1.0838 -1.8181 999.9900 -.4035 .7460 -.1591 .6845 .1527 .3743 .0060 113 ASP 113 1.0815 .3723 999.9900 999.9900 .8104 .7547 .6777 .3913 .5106 .6666 114 GLU 114 .6116 -.7564 999.9900 -1.0323 .6899 -.1218 .6750 .5265 .5884 .1191 115 LEU 115 .2355 -2.4128 999.9900 999.9900 .9565 -.4069 .6775 .1596 .3754 -.0768 116 GLN 116 .1632 -1.3908 999.9900 1.3059 .5113 .1474 .6727 .5223 .5849 .2974 117 SER 117 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6820 .5334 .5953 .4093 118 THR 118 .7717 999.9900 -.8810 999.9900 .4476 .1128 .6620 -.2651 .1212 .1471 119 ILE 119 .6852 .4202 999.9900 999.9900 .6034 .5696 .6574 .0447 .3000 .4822 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6664 .3296 .4699 .5696 121 LYS 121 1.0429 -2.9005 999.9900 -.0397 .7460 -.2382 .6784 .1593 .3755 -.0505 122 HIS 122 .1567 .6357 999.9900 999.9900 .6686 .4870 .6758 .3294 .4737 .4932 123 LEU 123 -2.0617 -3.3760 999.9900 999.9900 .9565 -1.4937 .6803 .1674 .3811 -.7267 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6635 .2554 .4303 .4595 Means: -.3241 -1.5449 -.4308 .0591 .7026 -.2067 .6592 .2385 .4143 .0473 2.00 analyzed_20