1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6728 .5081 .5829 .0223 2 GLY 2 -.4622 999.9900 999.9900 999.9900 .7883 .1631 .5914 .4758 .5271 .3483 3 HIS 3 .1079 -3.1083 999.9900 999.9900 .6686 -.7773 .6750 .3272 .4721 -.2659 4 HIS 4 -1.9498 -3.1083 999.9900 999.9900 .6686 -1.4632 .6751 .3337 .4759 -.6762 5 HIS 5 -.5497 -3.1083 999.9900 999.9900 .6686 -.9965 .6751 .3301 .4739 -.3968 6 HIS 6 -2.5191 -3.1083 999.9900 999.9900 .6686 -1.6529 .6782 .3186 .4685 -.7924 7 HIS 7 -.0187 -1.5062 999.9900 999.9900 .6686 -.2854 .6721 .3290 .4720 .0290 8 HIS 8 -.6701 -3.1083 999.9900 999.9900 .6686 -1.0366 .6773 .3271 .4730 -.4211 9 LEU 9 -.9403 -2.4128 999.9900 999.9900 .9565 -.7989 .6777 .1576 .3743 -.3123 10 GLU 10 -3.2255 -1.3804 999.9900 1.1588 .6899 -.6893 .6788 .5212 .5868 -.2596 11 MET 11 -2.6662 -1.4323 999.9900 .9587 .5203 -.6549 .6774 .5215 .5865 -.2368 12 ALA 12 -2.0946 999.9900 999.9900 999.9900 .7458 -.6744 .6598 .3320 .4686 -.0893 13 SER 13 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6803 .5399 .5984 -.5169 14 GLU 14 -.5578 -1.9198 999.9900 .3501 .6899 -.3594 .6801 .5222 .5880 -.0392 15 GLU 15 -2.8104 -1.5476 999.9900 -1.0323 .6899 -1.1751 .6680 .5209 .5822 -.5853 16 GLY 16 1.0529 999.9900 999.9900 999.9900 .7883 .9206 .5874 .4664 .5202 .7238 17 GLN 17 -.3854 -2.2325 999.9900 1.3059 .5113 -.2002 .6712 .5134 .5791 .0640 18 VAL 18 .3372 999.9900 -1.0788 999.9900 .7810 .0132 .6540 .1286 .3475 .1644 19 ILE 19 -.1621 -1.4972 999.9900 999.9900 .6034 -.3520 .6539 .0378 .2945 -.0728 20 ALA 20 -1.0624 999.9900 999.9900 999.9900 .7458 -.1583 .6737 .3235 .4695 .1702 21 CYS 21 -.0010 999.9900 .1296 999.9900 .9108 .3465 .6810 .3241 .4728 .4089 22 HIS 22 -.7145 -.5551 999.9900 999.9900 .6686 -.2003 .6814 .3263 .4742 .0813 23 THR 23 .3976 999.9900 -.8810 999.9900 .4476 -.0120 .6571 -.2344 .1371 .0774 24 VAL 24 -.1540 999.9900 -.2457 999.9900 .7810 .1271 .6565 .1174 .3420 .2310 25 GLU 25 .7157 -.8834 999.9900 -1.0323 .6899 -.1275 .6767 .5160 .5830 .1138 26 THR 26 1.2375 999.9900 -.2947 999.9900 .4476 .4634 .6600 -.2569 .1251 .3587 27 TRP 27 .9545 .0052 999.9900 999.9900 .9378 .6325 .6755 .1887 .3915 .5523 28 ASN 28 1.0488 -2.0766 999.9900 999.9900 .7518 -.0920 .6806 .3886 .5102 .1586 29 GLU 29 .7157 .3083 999.9900 -1.0323 .6899 .1704 .6817 .5342 .5957 .3163 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6731 .5265 .5876 .1759 31 LEU 31 .9913 -1.3019 999.9900 999.9900 .9565 .2153 .6762 .1580 .3739 .2960 32 GLN 32 .7451 -1.1512 999.9900 1.3059 .5113 .3528 .6813 .5266 .5910 .4365 33 LYS 33 .6780 -.9566 999.9900 .8261 .7460 .4239 .6747 .1687 .3795 .4233 34 ALA 34 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6646 .3084 .4568 .5638 35 ASN 35 .6990 -2.3357 999.9900 999.9900 .7518 -.2950 .6754 .3752 .5003 .0331 36 GLU 36 .1449 .0118 999.9900 -1.0323 .6899 -.0464 .6765 .5274 .5895 .1697 37 SER 37 -.0687 999.9900 -.7153 999.9900 .6705 -.0378 .6714 .5246 .5858 .2165 38 LYS 38 -.9887 -1.1755 999.9900 .1731 .7460 -.2144 .6791 .1558 .3738 -.0339 39 THR 39 -.1996 999.9900 -.8810 999.9900 .4476 -.2110 .6530 -.2650 .1175 -.0490 40 LEU 40 -.1625 -3.3760 999.9900 999.9900 .9565 -.8607 .6731 .1628 .3754 -.3492 41 VAL 41 .0764 999.9900 -1.0788 999.9900 .7810 -.0738 .6577 .1277 .3485 .1128 42 VAL 42 .3116 999.9900 -1.0788 999.9900 .7810 .0046 .6574 .1355 .3529 .1614 43 VAL 43 .2313 999.9900 .7395 999.9900 .7810 .5840 .6612 .1310 .3519 .5088 44 ASP 44 -.2609 -.9083 999.9900 999.9900 .8104 -.1196 .6736 .3797 .5022 .1389 45 PHE 45 -.0400 -.6459 999.9900 999.9900 .7573 .0238 .6753 .1068 .3437 .1707 46 THR 46 -1.0935 999.9900 -.8810 999.9900 .4476 -.5090 .6594 -.2605 .1228 -.2256 47 ALA 47 -.7246 999.9900 999.9900 999.9900 .7458 .0106 .6682 .3244 .4677 .2534 48 SER 48 .6980 999.9900 -.0289 999.9900 .6705 .4465 .6796 .5311 .5930 .5101 49 TRP 49 -1.3140 -1.6686 999.9900 999.9900 .9378 -.6816 .6729 .1850 .3883 -.2374 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6768 .3118 .4639 -.1556 51 GLY 51 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .3348 .4648 .4070 -.0139 52 PRO 52 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5576 -.3784 .0116 -.1212 53 CYS 53 .4024 -1.0630 999.9900 .2382 .9108 .1221 .6779 .3049 .4603 .2452 54 ARG 54 .6041 .3218 999.9900 .6901 .8581 .6328 .6789 .5160 .5839 .6227 55 PHE 55 -.5871 -.8691 999.9900 999.9900 .7573 -.2330 .6787 .0972 .3395 .0154 56 ILE 56 -1.3063 -3.0500 999.9900 999.9900 .6034 -1.2510 .6603 .0436 .3005 -.6098 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4872 .3129 .3856 .4774 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5571 -.3876 .0060 -.1237 59 PHE 59 .4032 -1.6164 999.9900 999.9900 .7573 -.1519 .6735 .1172 .3490 .0670 60 PHE 60 .6090 -1.8165 999.9900 999.9900 .7573 -.1501 .6723 .1063 .3421 .0657 61 ALA 61 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6689 .3251 .4684 .5259 62 ASP 62 1.0149 -1.5978 999.9900 999.9900 .8104 .0759 .6734 .3823 .5036 .2566 63 LEU 63 .4996 -2.9612 999.9900 999.9900 .9565 -.5017 .6765 .1538 .3716 -.1350 64 ALA 64 .7636 999.9900 999.9900 999.9900 .7458 .7547 .6661 .3264 .4680 .6255 65 LYS 65 .1686 .0465 999.9900 -.0397 .7460 .1763 .6799 .1541 .3732 .2451 66 LYS 66 .0670 -1.6955 999.9900 -.4035 .7460 -.3379 .6751 .1522 .3701 -.1232 67 LEU 67 -1.7747 -1.3818 999.9900 999.9900 .9565 -.7334 .4808 .1528 .2895 -.3133 68 PRO 68 -.1497 999.9900 999.9900 999.9900 .4496 .1500 .5265 -.3951 -.0111 .1078 69 ASN 69 -.0784 -3.3254 999.9900 999.9900 .7518 -.8840 .6828 .3863 .5098 -.3166 70 VAL 70 .3116 999.9900 .8662 999.9900 .7810 .6529 .6538 .1259 .3458 .5477 71 LEU 71 -.1775 -3.3760 999.9900 999.9900 .9565 -.8657 .6649 .1545 .3671 -.3555 72 PHE 72 .1161 -.4548 999.9900 999.9900 .7573 .1395 .6739 .1020 .3403 .2389 73 LEU 73 -.6392 -2.3037 999.9900 999.9900 .9565 -.6621 .6821 .1613 .3783 -.2286 74 LYS 74 -.3286 -1.5020 999.9900 -.4035 .7460 -.3783 .6786 .1607 .3765 -.1503 75 VAL 75 .4158 999.9900 -1.0788 999.9900 .7810 .0394 .6502 .1200 .3409 .1777 76 ASP 76 .0771 -2.0928 999.9900 999.9900 .8104 -.4018 .6714 .3712 .4963 -.0326 77 THR 77 .1314 999.9900 -.8810 999.9900 .4476 -.1007 .6550 -.2531 .1253 .0200 78 ASP 78 1.3227 -1.1646 999.9900 999.9900 .8104 .3229 .6779 .3867 .5080 .4066 79 GLU 79 -1.3222 -2.8418 999.9900 -1.0323 .6899 -1.1266 .6782 .5182 .5849 -.5517 80 LEU 80 -2.5767 -3.3760 999.9900 999.9900 .9565 -1.6654 .6734 .1538 .3703 -.8338 81 LYS 81 .8536 -2.1617 999.9900 -.0397 .7460 -.1283 .6819 .1677 .3820 .0297 82 SER 82 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6708 .5336 .5907 .4692 83 VAL 83 1.0462 999.9900 .1416 999.9900 .7810 .6563 .6568 .1205 .3439 .5492 84 ALA 84 .8001 999.9900 999.9900 999.9900 .7458 .7729 .6610 .3142 .4587 .6303 85 SER 85 .8651 999.9900 -.0289 999.9900 .6705 .5023 .6783 .5364 .5955 .5443 86 ASP 86 .9343 -2.8653 999.9900 999.9900 .8104 -.3735 .6763 .3820 .5046 -.0125 87 TRP 87 -.3875 -1.0414 999.9900 999.9900 .9378 -.1637 .6769 .1875 .3914 .0746 88 ALA 88 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6673 .3192 .4642 -.4331 89 ILE 89 -.8315 -.0414 999.9900 999.9900 .6034 -.0898 .6571 .0347 .2940 .0844 90 GLN 90 -1.4152 -2.6982 999.9900 1.3059 .5113 -.5740 .6821 .5245 .5902 -.1816 91 ALA 91 -.6925 999.9900 999.9900 999.9900 .7458 .0266 .6660 .3096 .4581 .2572 92 MET 92 -.5247 -2.5481 999.9900 .9587 -1.9874 -1.0254 .4996 .5177 .5102 -.5140 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5565 -.3733 .0141 .2631 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6553 -.2602 .1212 .0905 95 PHE 95 -.2255 -.9296 999.9900 999.9900 .7573 -.1326 .6785 .1025 .3425 .0766 96 MET 96 -.2520 -1.3058 999.9900 .9587 .5203 -.0197 .6735 .5233 .5859 .1863 97 PHE 97 -.1586 -4.3038 999.9900 999.9900 .7573 -1.2350 .6772 .1034 .3425 -.5849 98 LEU 98 -1.1512 -3.3760 999.9900 999.9900 .9565 -1.1902 .6743 .1585 .3734 -.5476 99 LYS 99 -.4529 .4083 999.9900 -.0397 .7460 .1244 .6781 .1679 .3805 .2097 100 GLU 100 -1.4945 -1.6501 999.9900 -1.0323 .6899 -.8717 .6748 .5244 .5871 -.3813 101 GLY 101 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5819 .4761 .5232 .7401 102 LYS 102 -.3350 -1.6955 999.9900 -.0397 .7460 -.2728 .6778 .1605 .3760 -.0751 103 ILE 103 -1.3252 .6122 999.9900 999.9900 .6034 -.0365 .6643 .0391 .2996 .1188 104 LEU 104 -2.1729 -.9670 999.9900 999.9900 .9565 -.7278 .6775 .1559 .3732 -.2700 105 ASP 105 -.9091 -3.7306 999.9900 999.9900 .8104 -1.2764 .6695 .3718 .4958 -.5576 106 LYS 106 -1.5497 -2.9005 999.9900 -.4035 .7460 -.9023 .6730 .1494 .3676 -.5270 107 VAL 107 -.3161 999.9900 .8055 999.9900 .7810 .4235 .6530 .1274 .3464 .4102 108 VAL 108 -.6656 999.9900 -1.0788 999.9900 .7810 -.3211 .6564 .1179 .3423 -.0378 109 GLY 109 -.7885 999.9900 999.9900 999.9900 .7883 -.0001 .5940 .4813 .5314 .2688 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6726 .3283 .4717 .0742 111 LYS 111 -.6747 -1.5020 999.9900 -.4035 .7460 -.4475 .6721 .1551 .3705 -.2015 112 LYS 112 1.0429 -1.8181 999.9900 -.4035 .7460 -.1672 .6797 .1525 .3722 -.0006 113 ASP 113 .6354 -2.0001 999.9900 999.9900 .8104 -.1848 .6759 .3774 .5018 .0998 114 GLU 114 .8733 -2.8418 999.9900 -1.0323 .6899 -.5777 .6764 .5232 .5870 -.1852 115 LEU 115 .2355 -2.4128 999.9900 999.9900 .9565 -.4069 .6782 .1608 .3764 -.0763 116 GLN 116 .1632 -1.0287 999.9900 1.3059 .5113 .2379 .6815 .5292 .5927 .3604 117 SER 117 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6741 .5285 .5892 .4046 118 THR 118 .7717 999.9900 -.2947 999.9900 .4476 .3082 .6596 -.2507 .1286 .2667 119 ILE 119 .6852 -.6929 999.9900 999.9900 .6034 .1986 .6537 .0471 .2998 .2593 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6699 .3243 .4683 .5691 121 LYS 121 1.0429 -2.9005 999.9900 -.4035 .7460 -.3837 .6746 .1658 .3778 -.1540 122 HIS 122 .2028 .2086 999.9900 999.9900 .6686 .3600 .6799 .3326 .4773 .4185 123 LEU 123 -1.4828 -3.3760 999.9900 999.9900 .9565 -1.3008 .6717 .1574 .3717 -.6146 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6586 .2633 .4327 .4610 Means: -.2569 -1.7835 -.4529 .0726 .7026 -.2330 .6586 .2404 .4151 .0315 2.00 analyzed_6