1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6742 .5024 .5805 .0215 2 GLY 2 -.9889 999.9900 999.9900 999.9900 .7883 -.1003 .5847 .4743 .5234 .2146 3 HIS 3 -2.5191 -1.1713 999.9900 999.9900 .6686 -1.0073 .6726 .3212 .4676 -.4056 4 HIS 4 -1.9498 -1.3248 999.9900 999.9900 .6686 -.8687 .6789 .3323 .4767 -.3190 5 HIS 5 -1.2838 .3100 999.9900 999.9900 .6686 -.1017 .6753 .3321 .4751 .1404 6 HIS 6 -1.9498 -1.3248 999.9900 999.9900 .6686 -.8687 .6734 .3126 .4629 -.3240 7 HIS 7 -1.7665 -1.1713 999.9900 999.9900 .6686 -.7564 .6784 .3207 .4698 -.2540 8 HIS 8 -2.5191 -3.1083 999.9900 999.9900 .6686 -1.6529 .6786 .3189 .4688 -.7922 9 LEU 9 -3.7702 -1.6139 999.9900 999.9900 .9565 -1.4759 .6776 .1637 .3778 -.7173 10 GLU 10 -2.1524 -1.9198 999.9900 -1.0323 .6899 -1.1037 .6797 .5262 .5902 -.5348 11 MET 11 -2.6662 -2.5481 999.9900 .9587 .5203 -.9338 .6756 .5182 .5838 -.4236 12 ALA 12 -1.6032 999.9900 999.9900 999.9900 .7458 -.4287 .6695 .3152 .4628 .0318 13 SER 13 -.6100 999.9900 -.7153 999.9900 .6705 -.2183 .6744 .5344 .5927 .1108 14 GLU 14 -1.5287 -1.5476 999.9900 1.1588 .6899 -.3069 .6770 .5238 .5876 -.0045 15 GLU 15 -2.3953 -1.1891 999.9900 1.1588 .6899 -.4339 .6767 .5230 .5870 -.0893 16 GLY 16 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5931 .4840 .5325 .7448 17 GLN 17 -.4306 -2.6982 999.9900 1.3059 .5113 -.3279 .6719 .5198 .5831 -.0200 18 VAL 18 .3372 999.9900 .7395 999.9900 .7810 .6192 .6619 .1249 .3487 .5289 19 ILE 19 -.4972 -1.4255 999.9900 999.9900 .6034 -.4398 .6588 .0496 .3035 -.1222 20 ALA 20 -1.0624 999.9900 999.9900 999.9900 .7458 -.1583 .6657 .3127 .4598 .1655 21 CYS 21 -.0229 999.9900 .8629 999.9900 .9108 .5836 .6747 .3064 .4598 .5464 22 HIS 22 -.9209 .6809 999.9900 999.9900 .6686 .1429 .6827 .3130 .4670 .2849 23 THR 23 -.5585 999.9900 -.8810 999.9900 .4476 -.3307 .6637 -.2644 .1223 -.1185 24 VAL 24 -.2793 999.9900 -1.0788 999.9900 .7810 -.1923 .6596 .1230 .3466 .0411 25 GLU 25 .8733 -2.1111 999.9900 -1.0323 .6899 -.3951 .6774 .5325 .5929 -.0617 26 THR 26 .7717 999.9900 -.8810 999.9900 .4476 .1128 .6477 -.2484 .1250 .1475 27 TRP 27 .9545 .0052 999.9900 999.9900 .9378 .6325 .6852 .2003 .4024 .5566 28 ASN 28 1.0488 -3.3254 999.9900 999.9900 .7518 -.5083 .6764 .3903 .5095 -.0916 29 GLU 29 .7157 -1.9198 999.9900 .3501 .6899 -.0410 .6807 .5257 .5903 .1737 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6732 .5284 .5887 .1763 31 LEU 31 .9913 -1.6805 999.9900 999.9900 .9565 .0891 .6818 .1577 .3761 .2214 32 GLN 32 .7451 -.2032 999.9900 1.3059 .5113 .5898 .6791 .5251 .5892 .5939 33 LYS 33 .6780 -2.1617 999.9900 -.4035 .7460 -.3089 .6799 .1496 .3705 -.1022 34 ALA 34 -.1584 999.9900 999.9900 999.9900 .7458 .2937 .6646 .3160 .4612 .3920 35 ASN 35 .6990 -1.8756 999.9900 999.9900 .7518 -.1416 .6745 .3758 .5003 .1251 36 GLU 36 .6116 -.0968 999.9900 .3501 .6899 .3887 .6757 .5181 .5838 .4581 37 SER 37 .2458 999.9900 -.7153 999.9900 .6705 .0670 .6829 .5321 .5950 .2832 38 LYS 38 -1.0405 -1.1755 999.9900 -.4035 .7460 -.4554 .6827 .1577 .3764 -.2052 39 THR 39 -.1996 999.9900 -.8810 999.9900 .4476 -.2110 .6569 -.2555 .1247 -.0463 40 LEU 40 -.1991 -3.3760 999.9900 999.9900 .9565 -.8728 .6779 .1524 .3714 -.3576 41 VAL 41 .0764 999.9900 -1.0788 999.9900 .7810 -.0738 .6533 .1239 .3445 .1112 42 VAL 42 .3894 999.9900 -1.0788 999.9900 .7810 .0306 .6525 .1179 .3407 .1724 43 VAL 43 -.3818 999.9900 .5873 999.9900 .7810 .3289 .6639 .1191 .3461 .3539 44 ASP 44 -.2609 -.3302 999.9900 999.9900 .8104 .0731 .6812 .3821 .5068 .2565 45 PHE 45 -.2560 -.1035 999.9900 999.9900 .7573 .1326 .6714 .1131 .3457 .2365 46 THR 46 -.0676 999.9900 -.8810 999.9900 .4476 -.1670 .6589 -.2633 .1210 -.0211 47 ALA 47 -.5406 999.9900 999.9900 999.9900 .7458 .1026 .6723 .3115 .4618 .2972 48 SER 48 .7489 999.9900 -.7153 999.9900 .6705 .2347 .6685 .5292 .5873 .3804 49 TRP 49 -1.3140 -3.3859 999.9900 999.9900 .9378 -1.2540 .6787 .1801 .3879 -.5806 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6780 .3078 .4620 -.1561 51 GLY 51 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .3448 .4608 .4093 -.1747 52 PRO 52 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5498 -.3573 .0207 -.1179 53 CYS 53 -.1941 -1.5342 999.9900 .2382 .9108 -.1448 .6781 .3109 .4639 .0683 54 ARG 54 .6041 -2.3766 999.9900 .1593 .8581 -.1191 .6762 .5180 .5839 .0855 55 PHE 55 .1779 -1.0890 999.9900 999.9900 .7573 -.0513 .6696 .0892 .3311 .1210 56 ILE 56 -1.5441 -3.0500 999.9900 999.9900 .6034 -1.3302 .6592 .0375 .2965 -.6588 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4976 .3039 .3846 .4777 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5532 -.3588 .0212 -.1174 59 PHE 59 1.0502 -1.6164 999.9900 999.9900 .7573 .0637 .6780 .1000 .3408 .1938 60 PHE 60 .6090 -1.3471 999.9900 999.9900 .7573 .0064 .6713 .1014 .3389 .1584 61 ALA 61 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6644 .3185 .4627 .5946 62 ASP 62 1.3227 -1.2276 999.9900 999.9900 .8104 .3018 .6763 .3794 .5031 .3923 63 LEU 63 .4996 -2.2115 999.9900 999.9900 .9565 -.2518 .6721 .1610 .3740 .0156 64 ALA 64 .7636 999.9900 999.9900 999.9900 .7458 .7547 .6582 .3213 .4617 .6222 65 LYS 65 .0195 .4277 999.9900 -.4035 .7460 .0772 .6741 .1635 .3763 .1748 66 LYS 66 .0419 -.7357 999.9900 -.4035 .7460 -.1510 .6788 .1630 .3779 .0124 67 LEU 67 -2.8468 -3.3760 999.9900 999.9900 .9565 -1.7554 .4989 .1504 .2956 -.9234 68 PRO 68 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .5420 -.3891 -.0011 .0494 69 ASN 69 -.3482 -1.8756 999.9900 999.9900 .7518 -.4906 .6815 .3779 .5044 -.0825 70 VAL 70 -.3682 999.9900 -1.0788 999.9900 .7810 -.2220 .6623 .1288 .3510 .0250 71 LEU 71 -.1775 -2.9612 999.9900 999.9900 .9565 -.7274 .6744 .1463 .3664 -.2723 72 PHE 72 .1161 -2.4384 999.9900 999.9900 .7573 -.5216 .6748 .0937 .3358 -.1593 73 LEU 73 -.6392 -2.4128 999.9900 999.9900 .9565 -.6985 .6770 .1670 .3795 -.2503 74 LYS 74 -.3286 -2.9005 999.9900 .3240 .7460 -.3670 .6706 .1615 .3736 -.1433 75 VAL 75 .5686 999.9900 -.0276 999.9900 .7810 .4407 .6594 .1272 .3490 .4217 76 ASP 76 -.0565 -2.1980 999.9900 999.9900 .8104 -.4814 .6706 .3727 .4968 -.0802 77 THR 77 .1314 999.9900 .0483 999.9900 .4476 .2091 .6548 -.2668 .1172 .2031 78 ASP 78 .1149 -3.1847 999.9900 999.9900 .8104 -.7531 .6809 .3796 .5051 -.2398 79 GLU 79 -2.2616 -1.6501 999.9900 -1.0323 .6899 -1.0635 .6740 .5211 .5848 -.5098 80 LEU 80 -3.3085 -3.3760 999.9900 999.9900 .9565 -1.9093 .6717 .1566 .3712 -.9799 81 LYS 81 .9480 -1.1257 999.9900 .5368 .7460 .3284 .6756 .1583 .3738 .3537 82 SER 82 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6793 .5414 .5989 .4724 83 VAL 83 .2188 999.9900 -.0276 999.9900 .7810 .3241 .6543 .1321 .3497 .3517 84 ALA 84 .8001 999.9900 999.9900 999.9900 .7458 .7729 .6681 .3092 .4587 .6308 85 SER 85 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6791 .5337 .5943 .4066 86 ASP 86 .2706 -2.3194 999.9900 999.9900 .8104 -.4128 .6790 .3844 .5072 -.0350 87 TRP 87 -.3273 -1.0414 999.9900 999.9900 .9378 -.1436 .6765 .1793 .3865 .0850 88 ALA 88 -2.2093 999.9900 999.9900 999.9900 .7458 -.7317 .6693 .3126 .4612 -.1204 89 ILE 89 -1.5964 -.2003 999.9900 999.9900 .6034 -.3978 .6595 .0392 .2977 -.0989 90 GLN 90 -1.2769 -1.3011 999.9900 1.3059 .5113 -.1902 .6752 .5190 .5841 .0722 91 ALA 91 -1.3571 999.9900 999.9900 999.9900 .7458 -.3056 .6599 .3209 .4622 .0924 92 MET 92 -.8637 -2.0676 999.9900 .9587 -1.9874 -.9900 .4826 .5158 .5020 -.4936 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5273 -.3720 .0027 .2562 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6577 -.2600 .1224 .0910 95 PHE 95 -.2255 .5510 999.9900 999.9900 .7573 .3609 .6779 .0997 .3406 .3721 96 MET 96 -.2520 -2.0676 999.9900 .9587 .5203 -.2101 .6739 .5187 .5833 .0587 97 PHE 97 -.4973 -4.3038 999.9900 999.9900 .7573 -1.3479 .6709 .1161 .3473 -.6514 98 LEU 98 -1.2966 -3.3760 999.9900 999.9900 .9565 -1.2387 .6776 .1573 .3741 -.5762 99 LYS 99 -.6960 .4083 999.9900 -.4035 .7460 -.0697 .6800 .1615 .3775 .0704 100 GLU 100 -1.4945 -2.1111 999.9900 .3501 .6899 -.6414 .6779 .5278 .5904 -.2266 101 GLY 101 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5827 .4730 .5217 .7395 102 LYS 102 -.3543 -1.3520 999.9900 -.4035 .7460 -.3535 .6798 .1612 .3773 -.1323 103 ILE 103 -1.3252 .5468 999.9900 999.9900 .6034 -.0583 .6521 .0461 .2986 .1046 104 LEU 104 -2.1729 -.9670 999.9900 999.9900 .9565 -.7278 .6798 .1602 .3767 -.2687 105 ASP 105 -.6293 -2.8653 999.9900 999.9900 .8104 -.8948 .6758 .3770 .5015 -.3263 106 LYS 106 -.8267 -2.9005 999.9900 -.0397 .7460 -.6121 .6806 .1613 .3777 -.3170 107 VAL 107 -.0463 999.9900 .3968 999.9900 .7810 .3772 .6573 .1206 .3442 .3819 108 VAL 108 -.3909 999.9900 -.0276 999.9900 .7810 .1208 .6559 .1175 .3418 .2272 109 GLY 109 -.4135 999.9900 999.9900 999.9900 .7883 .1874 .5767 .4585 .5110 .3525 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6699 .3164 .4637 .0706 111 LYS 111 -.9887 -2.9005 999.9900 -.4035 .7460 -.7901 .6661 .1603 .3711 -.4463 112 LYS 112 1.2214 -2.1617 999.9900 -.0397 .7460 -.0547 .6803 .1484 .3700 .0793 113 ASP 113 .9343 .1557 999.9900 999.9900 .8104 .6335 .6745 .3708 .4973 .5891 114 GLU 114 .0765 -1.9198 999.9900 -1.0323 .6899 -.5464 .6756 .5271 .5890 -.1638 115 LEU 115 .2355 -2.4128 999.9900 999.9900 .9565 -.4069 .6696 .1631 .3741 -.0776 116 GLN 116 .1632 -2.6982 999.9900 1.3059 .5113 -.1795 .6750 .5263 .5883 .0806 117 SER 117 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6774 .5302 .5915 .4077 118 THR 118 .9379 999.9900 -.8810 999.9900 .4476 .1682 .6632 -.2598 .1248 .1816 119 ILE 119 .6852 -.7522 999.9900 999.9900 .6034 .1788 .6512 .0289 .2882 .2433 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6674 .3148 .4617 .5661 121 LYS 121 .9451 -2.9005 999.9900 .3240 .7460 -.1123 .6803 .1616 .3777 .0401 122 HIS 122 .1567 .6357 999.9900 999.9900 .6686 .4870 .6777 .3286 .4740 .4935 123 LEU 123 -.9215 -3.3760 999.9900 999.9900 .9565 -1.1137 .6814 .1578 .3760 -.5004 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6581 .2495 .4246 .4538 Means: -.3583 -1.7308 -.4726 .1513 .7026 -.2460 .6587 .2389 .4143 .0232 2.00 analyzed_2