1 MET 1 999.9900 -.9517 999.9900 .9587 .5203 .1758 .6756 .5086 .5845 .3423 2 GLY 2 -1.8567 999.9900 999.9900 999.9900 .7883 -.5342 .5969 .4821 .5331 .0026 3 HIS 3 -.4447 .0128 999.9900 999.9900 .6686 .0789 .6752 .3298 .4737 .2483 4 HIS 4 -1.3805 -1.0384 999.9900 999.9900 .6686 -.5834 .6789 .3273 .4738 -.1488 5 HIS 5 -.2950 -2.0147 999.9900 999.9900 .6686 -.5470 .6703 .3309 .4723 -.1280 6 HIS 6 -1.4902 -2.4183 999.9900 999.9900 .6686 -1.0800 .6798 .3319 .4769 -.4456 7 HIS 7 -3.0884 -2.4183 999.9900 999.9900 .6686 -1.6127 .6763 .3282 .4732 -.7667 8 HIS 8 -1.6168 -1.5062 999.9900 999.9900 .6686 -.8181 .6785 .3112 .4643 -.2929 9 LEU 9 -1.6000 .3261 999.9900 999.9900 .9565 -.1058 .6734 .1609 .3744 .1034 10 GLU 10 -1.0793 -1.7714 999.9900 -1.0323 .6899 -.7983 .6784 .5264 .5897 -.3314 11 MET 11 -.3815 .5156 999.9900 .9587 .5203 .4033 .6786 .5208 .5865 .4687 12 ALA 12 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6642 .3256 .4667 -.4323 13 SER 13 -2.3021 999.9900 .3727 999.9900 .6705 -.4196 .6752 .5213 .5854 -.0125 14 GLU 14 -2.3953 -2.3808 999.9900 -1.0323 .6899 -1.2796 .6763 .5192 .5847 -.6538 15 GLU 15 -2.3953 -2.8418 999.9900 -1.0323 .6899 -1.3949 .6741 .5148 .5812 -.7318 16 GLY 16 1.0529 999.9900 999.9900 999.9900 .7883 .9206 .5757 .4692 .5165 .7215 17 GLN 17 -.3854 -2.6982 999.9900 1.3059 .5113 -.3166 .6827 .5269 .5918 -.0095 18 VAL 18 -.0951 999.9900 .8055 999.9900 .7810 .4971 .6551 .1136 .3393 .4520 19 ILE 19 -.9523 -.3653 999.9900 999.9900 .6034 -.2381 .6601 .0339 .2948 -.0040 20 ALA 20 -.8937 999.9900 999.9900 999.9900 .7458 -.0740 .6634 .3167 .4612 .2081 21 CYS 21 .1194 999.9900 .1296 999.9900 .9108 .3866 .6763 .3120 .4638 .4296 22 HIS 22 -.9209 1.2903 999.9900 999.9900 .6686 .3460 .6701 .3245 .4685 .4065 23 THR 23 -.2319 999.9900 -.2947 999.9900 .4476 -.0263 .6595 -.2444 .1323 .0672 24 VAL 24 .7260 999.9900 -1.0788 999.9900 .7810 .1428 .6509 .1219 .3423 .2402 25 GLU 25 .7157 -1.7714 999.9900 -1.0323 .6899 -.3495 .6825 .5293 .5931 -.0310 26 THR 26 .9379 999.9900 -.8810 999.9900 .4476 .1682 .6602 -.2677 .1190 .1794 27 TRP 27 .9545 -1.3095 999.9900 999.9900 .9378 .1943 .6756 .1947 .3951 .2906 28 ASN 28 1.0488 -2.0766 999.9900 999.9900 .7518 -.0920 .6780 .3848 .5070 .1574 29 GLU 29 .8604 .3424 999.9900 .3501 .6899 .5607 .6758 .5282 .5897 .5745 30 GLN 30 .9013 -2.6982 999.9900 1.3059 .5113 .0051 .6774 .5245 .5882 .2037 31 LEU 31 .9913 -1.3019 999.9900 999.9900 .9565 .2153 .6755 .1491 .3684 .2941 32 GLN 32 1.0064 -1.3011 999.9900 1.3059 .5113 .3806 .6813 .5288 .5924 .4554 33 LYS 33 .6780 -1.6955 999.9900 .1140 .7460 -.0087 .6791 .1653 .3794 .1144 34 ALA 34 -.1584 999.9900 999.9900 999.9900 .7458 .2937 .6711 .3246 .4690 .3958 35 ASN 35 .6990 -2.0766 999.9900 999.9900 .7518 -.2086 .6787 .3867 .5084 .0879 36 GLU 36 .6116 -1.4588 999.9900 -1.0323 .6899 -.2974 .6719 .5166 .5813 -.0002 37 SER 37 -.0963 999.9900 -.7153 999.9900 .6705 -.0471 .6777 .5305 .5918 .2134 38 LYS 38 -1.2247 -.9951 999.9900 .4778 .7460 -.1036 .6720 .1626 .3749 .0452 39 THR 39 -.1996 999.9900 -.8810 999.9900 .4476 -.2110 .6633 -.2675 .1204 -.0474 40 LEU 40 -.3299 -1.2835 999.9900 999.9900 .9565 -.2190 .6779 .1636 .3779 .0369 41 VAL 41 .0764 999.9900 -1.0788 999.9900 .7810 -.0738 .6617 .1161 .3434 .1113 42 VAL 42 -.9785 999.9900 -1.0788 999.9900 .7810 -.4254 .6621 .1235 .3480 -.0981 43 VAL 43 -.3818 999.9900 .8055 999.9900 .7810 .4016 .6554 .1281 .3478 .3977 44 ASP 44 -.2609 -.1440 999.9900 999.9900 .8104 .1352 .6768 .3780 .5025 .2920 45 PHE 45 -.0400 .0419 999.9900 999.9900 .7573 .2531 .6776 .1018 .3417 .3077 46 THR 46 -.5830 999.9900 -.8810 999.9900 .4476 -.3388 .6586 -.2505 .1283 -.1217 47 ALA 47 -1.1160 999.9900 999.9900 999.9900 .7458 -.1851 .6668 .3104 .4589 .1518 48 SER 48 .6980 999.9900 -.7153 999.9900 .6705 .2177 .6751 .5303 .5906 .3717 49 TRP 49 -.7928 -3.3859 999.9900 999.9900 .9378 -1.0803 .6767 .1926 .3943 -.4743 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6754 .3148 .4651 -.1553 51 GLY 51 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .3357 .4747 .4129 -.0112 52 PRO 52 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .5507 -.3614 .0186 .0584 53 CYS 53 1.1322 -1.5342 999.9900 .2382 .9108 .1868 .6737 .3172 .4658 .2897 54 ARG 54 .6041 -1.3337 999.9900 .6901 .8581 .3017 .6752 .5169 .5829 .3858 55 PHE 55 -1.4579 -1.9363 999.9900 999.9900 .7573 -.8790 .6763 .1024 .3415 -.3716 56 ILE 56 -1.5964 -3.0500 999.9900 999.9900 .6034 -1.3477 .6554 .0394 .2961 -.6696 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4679 .3201 .3817 .4744 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5476 -.3493 .0244 -.1165 59 PHE 59 1.0502 -1.8165 999.9900 999.9900 .7573 -.0030 .6772 .1008 .3410 .1538 60 PHE 60 .6090 -.1998 999.9900 999.9900 .7573 .3888 .6706 .0894 .3315 .3853 61 ALA 61 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6713 .3167 .4645 .5959 62 ASP 62 1.0815 -.1779 999.9900 999.9900 .8104 .5713 .6791 .3847 .5074 .5556 63 LEU 63 .4996 -2.4128 999.9900 999.9900 .9565 -.3189 .6673 .1637 .3735 -.0251 64 ALA 64 .8001 999.9900 999.9900 999.9900 .7458 .7729 .6668 .3298 .4702 .6356 65 LYS 65 .3654 -.7093 999.9900 .6133 .7460 .3257 .6740 .1423 .3638 .3493 66 LYS 66 -.2858 -.9566 999.9900 .3546 .7460 .0426 .6776 .1476 .3684 .1483 67 LEU 67 -2.8468 -3.3760 999.9900 999.9900 .9565 -1.7554 .4896 .1615 .2982 -.9230 68 PRO 68 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .5590 -.3617 .0219 .0604 69 ASN 69 -3.4329 -1.8756 999.9900 999.9900 .7518 -1.5189 .6737 .3824 .5038 -.7001 70 VAL 70 .3116 999.9900 .5873 999.9900 .7810 .5600 .6621 .1215 .3467 .4927 71 LEU 71 -.0766 -3.3760 999.9900 999.9900 .9565 -.8320 .6759 .1630 .3767 -.3314 72 PHE 72 .1097 -1.7621 999.9900 999.9900 .7573 -.2984 .6769 .1086 .3454 -.0219 73 LEU 73 -.4552 -2.3037 999.9900 999.9900 .9565 -.6008 .6744 .1539 .3708 -.1948 74 LYS 74 -.1867 -1.5918 999.9900 -.4035 .7460 -.3679 .6770 .1652 .3784 -.1425 75 VAL 75 -.4002 999.9900 .4980 999.9900 .7810 .2929 .6569 .1257 .3470 .3323 76 ASP 76 -.0991 -2.6388 999.9900 999.9900 .8104 -.6425 .6739 .3731 .4984 -.1761 77 THR 77 .4802 999.9900 .0483 999.9900 .4476 .3254 .6626 -.2601 .1244 .2757 78 ASP 78 .8349 -1.3712 999.9900 999.9900 .8104 .0914 .6789 .3836 .5066 .2673 79 GLU 79 -2.2616 -2.3808 999.9900 .3501 .6899 -.9006 .6788 .5248 .5890 -.3998 80 LEU 80 -2.0617 -2.0611 999.9900 999.9900 .9565 -1.0554 .6799 .1528 .3724 -.4667 81 LYS 81 .6780 -1.5918 999.9900 .9443 .7460 .3441 .6755 .1614 .3756 .3654 82 SER 82 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6778 .5345 .5943 .4708 83 VAL 83 .2188 999.9900 -.2457 999.9900 .7810 .2514 .6488 .1231 .3421 .3052 84 ALA 84 .0860 999.9900 999.9900 999.9900 .7458 .4159 .6729 .3260 .4705 .4577 85 SER 85 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6731 .5319 .5907 .4693 86 ASP 86 1.3227 -1.1646 999.9900 999.9900 .8104 .3229 .6820 .3927 .5133 .4087 87 TRP 87 -1.3140 -.7344 999.9900 999.9900 .9378 -.3702 .6732 .1920 .3925 -.0491 88 ALA 88 -3.0686 999.9900 999.9900 999.9900 .7458 -1.1614 .6689 .3165 .4634 -.3343 89 ILE 89 -1.2350 .2838 999.9900 999.9900 .6034 -.1160 .6579 .0361 .2952 .0692 90 GLN 90 -1.4152 -2.6982 999.9900 1.3059 .5113 -.5740 .6748 .5161 .5822 -.1842 91 ALA 91 -.7739 999.9900 999.9900 999.9900 .7458 -.0141 .6719 .3197 .4665 .2409 92 MET 92 -.5247 -2.5481 999.9900 .9587 -1.9874 -1.0254 .4865 .5170 .5043 -.5163 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5360 -.3829 -.0001 .2556 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6525 -.2648 .1174 .0890 95 PHE 95 -.2255 -.1548 999.9900 999.9900 .7573 .1257 .6807 .1000 .3420 .2316 96 MET 96 -.2651 -1.3058 999.9900 .9587 .5203 -.0230 .6718 .5211 .5839 .1835 97 PHE 97 -.2986 -4.3038 999.9900 999.9900 .7573 -1.2817 .6705 .1110 .3441 -.6127 98 LEU 98 -1.1512 -3.3760 999.9900 999.9900 .9565 -1.1902 .6789 .1576 .3748 -.5469 99 LYS 99 -.6960 -.2831 999.9900 -.4035 .7460 -.2080 .6802 .1652 .3798 -.0278 100 GLU 100 -1.4621 -.3719 999.9900 .3501 .6899 -.1985 .6786 .5179 .5849 .0671 101 GLY 101 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5732 .4645 .5128 .7350 102 LYS 102 -.3350 -1.1257 999.9900 .1731 .7460 -.0737 .6736 .1611 .3746 .0666 103 ILE 103 -1.3252 .5691 999.9900 999.9900 .6034 -.0509 .6577 .0613 .3098 .1133 104 LEU 104 -2.1729 -.9670 999.9900 999.9900 .9565 -.7278 .6719 .1554 .3706 -.2712 105 ASP 105 -.6293 -3.1847 999.9900 999.9900 .8104 -1.0012 .6765 .3851 .5065 -.3884 106 LYS 106 -1.3827 -1.1257 999.9900 -.4035 .7460 -.5139 .6785 .1559 .3737 -.2478 107 VAL 107 -.0463 999.9900 .8662 999.9900 .7810 .5336 .6521 .1142 .3383 .4734 108 VAL 108 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .6609 .1212 .3461 .0187 109 GLY 109 -.2363 999.9900 999.9900 999.9900 .7883 .2760 .5709 .4622 .5105 .3963 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6749 .3117 .4631 .0706 111 LYS 111 -.9887 -1.9682 999.9900 .1140 .7460 -.3966 .6770 .1613 .3762 -.1635 112 LYS 112 1.2214 -1.9682 999.9900 -.0397 .7460 -.0160 .6812 .1539 .3736 .1078 113 ASP 113 .9343 -1.6521 999.9900 999.9900 .8104 .0309 .6730 .3834 .5041 .2298 114 GLU 114 .1025 -1.1891 999.9900 .3501 .6899 -.0116 .6805 .5288 .5920 .1938 115 LEU 115 .2355 -2.7185 999.9900 999.9900 .9565 -.5088 .6830 .1593 .3775 -.1368 116 GLN 116 .1632 -1.9601 999.9900 1.3059 .5113 .0051 .6763 .5304 .5912 .2045 117 SER 117 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6779 .5325 .5930 .4061 118 THR 118 .7717 999.9900 .0483 999.9900 .4476 .4225 .6606 -.2600 .1236 .3336 119 ILE 119 .6852 -.2247 999.9900 999.9900 .6034 .3546 .6648 .0453 .3034 .3548 120 ALA 120 .8001 999.9900 999.9900 999.9900 .7458 .7729 .6646 .3212 .4643 .6329 121 LYS 121 1.0429 -2.4344 999.9900 .1140 .7460 -.0835 .6850 .1519 .3740 .0599 122 HIS 122 -.5879 .6357 999.9900 999.9900 .6686 .2388 .6783 .3229 .4710 .3435 123 LEU 123 -3.7702 -3.3760 999.9900 999.9900 .9565 -2.0632 .6788 .1605 .3764 -1.0701 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6536 .2441 .4196 .4489 Means: -.3646 -1.5280 -.3248 .2558 .7026 -.1864 .6587 .2403 .4151 .0600 2.00 analyzed_8