1 MET 1 999.9900 -2.0676 999.9900 .9587 .5203 -.1962 .6737 .5086 .5836 .1187 2 GLY 2 -1.4300 999.9900 999.9900 999.9900 .7883 -.3209 .5792 .4613 .5137 .0997 3 HIS 3 -2.5191 -3.1083 999.9900 999.9900 .6686 -1.6529 .6763 .3262 .4720 -.7913 4 HIS 4 -1.3805 -3.1083 999.9900 999.9900 .6686 -1.2734 .6771 .3212 .4695 -.5644 5 HIS 5 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6789 .3205 .4698 -.9057 6 HIS 6 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6773 .3272 .4731 -.9047 7 HIS 7 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6782 .3046 .4603 -.9090 8 HIS 8 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6803 .3234 .4721 -.9049 9 LEU 9 -1.9664 -2.9612 999.9900 999.9900 .9565 -1.3237 .6841 .1539 .3748 -.6266 10 GLU 10 -2.8104 -1.3804 999.9900 .3501 .6899 -.7877 .6736 .5188 .5833 -.3264 11 MET 11 -2.6662 -2.5481 999.9900 .9587 .5203 -.9338 .6782 .5192 .5855 -.4230 12 ALA 12 -2.0946 999.9900 999.9900 999.9900 .7458 -.6744 .6639 .3252 .4663 -.0899 13 SER 13 -1.8383 999.9900 -.7153 999.9900 .6705 -.6277 .6742 .5301 .5902 -.1358 14 GLU 14 -3.2255 -1.9198 999.9900 -1.0323 .6899 -1.3719 .6834 .5232 .5900 -.7135 15 GLU 15 -2.3953 -.6748 999.9900 -1.0323 .6899 -.8531 .6764 .5141 .5817 -.3703 16 GLY 16 .9290 999.9900 999.9900 999.9900 .7883 .8586 .5826 .4760 .5234 .6940 17 GLN 17 -.3854 -1.6169 999.9900 1.3059 .5113 -.0463 .6746 .5321 .5915 .1703 18 VAL 18 .0815 999.9900 -1.0788 999.9900 .7810 -.0721 .6562 .1265 .3472 .1133 19 ILE 19 -.2299 -1.3617 999.9900 999.9900 .6034 -.3294 .6570 .0401 .2971 -.0582 20 ALA 20 -.7587 999.9900 999.9900 999.9900 .7458 -.0064 .6692 .3085 .4588 .2412 21 CYS 21 -.3751 999.9900 .8629 999.9900 .9108 .4662 .6691 .3161 .4632 .4768 22 HIS 22 -.7145 1.0771 999.9900 999.9900 .6686 .3437 .6705 .3317 .4729 .4067 23 THR 23 -.8088 999.9900 .2916 999.9900 .4476 -.0232 .6545 -.2410 .1321 .0688 24 VAL 24 .3707 999.9900 -.5532 999.9900 .7810 .1995 .6591 .1254 .3478 .2766 25 GLU 25 .8733 -2.8418 999.9900 -1.0323 .6899 -.5777 .6771 .5231 .5873 -.1851 26 THR 26 .7717 999.9900 .2916 999.9900 .4476 .5036 .6570 -.2320 .1384 .3872 27 TRP 27 .3500 -3.3859 999.9900 999.9900 .9378 -.6994 .6751 .1767 .3844 -.2492 28 ASN 28 .9310 -2.0766 999.9900 999.9900 .7518 -.1312 .6716 .3748 .4985 .1305 29 GLU 29 .8604 -1.7714 999.9900 1.7325 .6899 .3779 .6821 .5308 .5938 .4540 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6726 .5207 .5840 .1749 31 LEU 31 .9913 -1.6805 999.9900 999.9900 .9565 .0891 .6820 .1564 .3754 .2211 32 GLN 32 .7451 -1.9601 999.9900 1.3059 .5113 .1506 .6825 .5193 .5873 .3007 33 LYS 33 .8536 -1.5918 999.9900 1.1681 .7460 .4688 .6782 .1639 .3782 .4551 34 ALA 34 -.1584 999.9900 999.9900 999.9900 .7458 .2937 .6584 .3154 .4583 .3903 35 ASN 35 -.1896 -2.7010 999.9900 999.9900 .7518 -.7129 .6739 .3712 .4973 -.2187 36 GLU 36 .1449 -.9977 999.9900 1.1588 .6899 .2490 .6770 .5159 .5830 .3648 37 SER 37 -.3643 999.9900 -.0289 999.9900 .6705 .0924 .6804 .5363 .5963 .2988 38 LYS 38 -1.2247 -1.9682 999.9900 -.4035 .7460 -.6508 .6793 .1574 .3748 -.3453 39 THR 39 .2086 999.9900 -.8810 999.9900 .4476 -.0750 .6506 -.2748 .1108 .0302 40 LEU 40 -.1479 -3.3760 999.9900 999.9900 .9565 -.8558 .6759 .1539 .3714 -.3475 41 VAL 41 .3758 999.9900 -1.0788 999.9900 .7810 .0260 .6632 .1238 .3486 .1730 42 VAL 42 -.0463 999.9900 .5873 999.9900 .7810 .4407 .6586 .1119 .3397 .4185 43 VAL 43 -.0288 999.9900 -1.0788 999.9900 .7810 -.1088 .6617 .1270 .3498 .0924 44 ASP 44 -.2609 -.3302 999.9900 999.9900 .8104 .0731 .6736 .3726 .4980 .2531 45 PHE 45 -.0803 .5510 999.9900 999.9900 .7573 .4093 .6775 .0972 .3390 .4005 46 THR 46 .4132 999.9900 -.8810 999.9900 .4476 -.0067 .6638 -.2669 .1209 .0753 47 ALA 47 -.7246 999.9900 999.9900 999.9900 .7458 .0106 .6677 .3318 .4718 .2552 48 SER 48 .6980 999.9900 1.2119 999.9900 .6705 .8601 .6748 .5325 .5918 .7575 49 TRP 49 -.7409 -3.3859 999.9900 999.9900 .9378 -1.0630 .6719 .1784 .3840 -.4677 50 CYS 50 -1.4460 -2.0054 999.9900 .2382 .9108 -.5756 .6773 .3000 .4572 -.2209 51 GLY 51 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .3400 .4698 .4121 -.4721 52 PRO 52 -.1156 999.9900 999.9900 999.9900 .4496 .1670 .5322 -.3714 .0051 .1237 53 CYS 53 .2570 -2.0054 999.9900 .2382 .9108 -.1498 .6720 .3089 .4602 .0636 54 ARG 54 .6041 -.4762 999.9900 .1593 .8581 .2609 .6816 .5212 .5881 .3582 55 PHE 55 -1.4579 .0348 999.9900 999.9900 .7573 -.2219 .6739 .1020 .3403 .0220 56 ILE 56 -1.5441 -3.0500 999.9900 999.9900 .6034 -1.3302 .6576 .0414 .2982 -.6583 57 ALA 57 .7636 999.9900 999.9900 999.9900 .7458 .7547 .4780 .3162 .3836 .5759 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5318 -.3935 -.0080 -.1315 59 PHE 59 .4032 -1.0890 999.9900 999.9900 .7573 .0238 .6737 .1105 .3451 .1711 60 PHE 60 .6090 .3244 999.9900 999.9900 .7573 .5636 .6854 .1000 .3439 .4952 61 ALA 61 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6677 .3188 .4642 .5240 62 ASP 62 1.0149 -1.5978 999.9900 999.9900 .8104 .0759 .6826 .3867 .5100 .2594 63 LEU 63 .8786 -2.2115 999.9900 999.9900 .9565 -.1255 .6716 .1485 .3664 .0887 64 ALA 64 .6648 999.9900 999.9900 999.9900 .7458 .7053 .6577 .3235 .4627 .5979 65 LYS 65 .0195 -1.8181 999.9900 -.4035 .7460 -.3719 .6770 .1583 .3744 -.1463 66 LYS 66 .0419 -.8217 999.9900 -.4035 .7460 -.1682 .6754 .1600 .3748 -.0008 67 LEU 67 -.2787 -2.9612 999.9900 999.9900 .9565 -.7611 .4912 .1509 .2927 -.3282 68 PRO 68 -5.1268 999.9900 999.9900 999.9900 .4496 -2.3386 .5424 -.3638 .0138 -1.1247 69 ASN 69 -1.5699 -1.7113 999.9900 999.9900 .7518 -.8431 .6776 .3851 .5070 -.2933 70 VAL 70 .0429 999.9900 -1.0788 999.9900 .7810 -.0849 .6486 .1236 .3423 .1035 71 LEU 71 -.1655 -2.5464 999.9900 999.9900 .9565 -.5851 .6793 .1574 .3749 -.1837 72 PHE 72 .1097 -1.2830 999.9900 999.9900 .7573 -.1387 .6798 .0894 .3354 .0706 73 LEU 73 -.3571 -2.9612 999.9900 999.9900 .9565 -.7873 .6781 .1494 .3697 -.3069 74 LYS 74 -.2075 -2.4344 999.9900 -.4035 .7460 -.5406 .6766 .1642 .3777 -.2660 75 VAL 75 .3758 999.9900 -.5532 999.9900 .7810 .2012 .6627 .1263 .3498 .2785 76 ASP 76 -.2530 -2.6388 999.9900 999.9900 .8104 -.6938 .6739 .3915 .5092 -.2032 77 THR 77 .1314 999.9900 -.8810 999.9900 .4476 -.1007 .6549 -.2623 .1199 .0181 78 ASP 78 .6201 -2.3194 999.9900 999.9900 .8104 -.2963 .6757 .3814 .5040 .0336 79 GLU 79 -2.0601 -1.9198 999.9900 .3501 .6899 -.7350 .6764 .5188 .5845 -.2908 80 LEU 80 -2.4740 -3.3760 999.9900 999.9900 .9565 -1.6312 .6775 .1591 .3751 -.8114 81 LYS 81 .9480 -1.5918 999.9900 -.4035 .7460 -.1410 .6724 .1598 .3734 .0182 82 SER 82 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6772 .5350 .5943 .4087 83 VAL 83 .7260 999.9900 -.2457 999.9900 .7810 .4205 .6561 .1226 .3449 .4080 84 ALA 84 .9879 999.9900 999.9900 999.9900 .7458 .8668 .6632 .3136 .4593 .6776 85 SER 85 1.0911 999.9900 -.7153 999.9900 .6705 .3488 .6758 .5322 .5920 .4508 86 ASP 86 .9343 -2.4630 999.9900 999.9900 .8104 -.2394 .6756 .3792 .5027 .0673 87 TRP 87 -1.3140 -.0877 999.9900 999.9900 .9378 -.1546 .6785 .1828 .3893 .0795 88 ALA 88 -1.8459 999.9900 999.9900 999.9900 .7458 -.5501 .6671 .3182 .4636 -.0287 89 ILE 89 -3.6908 -.2331 999.9900 999.9900 .6034 -1.1068 .6667 .0411 .3018 -.5225 90 GLN 90 -.3229 -1.9601 999.9900 1.3059 .5113 -.1165 .6758 .5272 .5892 .1229 91 ALA 91 -1.3571 999.9900 999.9900 999.9900 .7458 -.3056 .6607 .3085 .4552 .0895 92 MET 92 -.2142 .8830 999.9900 .9587 -1.9874 -.0900 .5015 .5142 .5089 .1093 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5480 -.3630 .0166 .2636 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6511 -.2696 .1140 .0878 95 PHE 95 -.2457 .5510 999.9900 999.9900 .7573 .3542 .6817 .0982 .3413 .3685 96 MET 96 -.2651 -.1452 999.9900 .9587 .5203 .2672 .6765 .5194 .5848 .3774 97 PHE 97 -.2986 -4.3038 999.9900 999.9900 .7573 -1.2817 .6745 .1065 .3432 -.6128 98 LEU 98 -1.1512 -1.3209 999.9900 999.9900 .9565 -.5052 .6766 .1631 .3771 -.1352 99 LYS 99 -.6960 -1.0359 999.9900 .2868 .7460 -.0824 .6802 .1593 .3763 .0610 100 GLU 100 -1.2742 -.0968 999.9900 -1.0323 .6899 -.4284 .6786 .5214 .5869 -.0856 101 GLY 101 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5857 .4778 .5258 .7208 102 LYS 102 -.3350 -2.4344 999.9900 -.4035 .7460 -.5661 .6779 .1513 .3707 -.2859 103 ILE 103 -1.3252 -.4388 999.9900 999.9900 .6034 -.3869 .6549 .0337 .2925 -.0944 104 LEU 104 -3.3085 -.9670 999.9900 999.9900 .9565 -1.1063 .6817 .1519 .3726 -.4971 105 ASP 105 -.9091 -2.3194 999.9900 999.9900 .8104 -.8060 .6774 .3780 .5028 -.2725 106 LYS 106 -.2023 -.5490 999.9900 -.4035 .7460 -.1625 .6773 .1633 .3775 .0040 107 VAL 107 .0764 999.9900 .3968 999.9900 .7810 .4181 .6635 .1289 .3516 .4093 108 VAL 108 -.0951 999.9900 -1.0788 999.9900 .7810 -.1310 .6529 .1146 .3389 .0749 109 GLY 109 -.7504 999.9900 999.9900 999.9900 .7883 .0189 .5800 .4654 .5164 .2708 110 ALA 110 -1.5027 999.9900 999.9900 999.9900 .7458 -.3784 .6689 .3141 .4619 .0565 111 LYS 111 -.9887 -1.3520 999.9900 -.4035 .7460 -.4803 .6832 .1659 .3815 -.2218 112 LYS 112 1.2214 -2.4344 999.9900 -.4035 .7460 -.2548 .6748 .1515 .3696 -.0639 113 ASP 113 .9921 -.6983 999.9900 999.9900 .8104 .3681 .6749 .3796 .5026 .4317 114 GLU 114 .8171 -1.6501 999.9900 -1.0323 .6899 -.2939 .6771 .5283 .5903 .0050 115 LEU 115 .2355 -2.7185 999.9900 999.9900 .9565 -.5088 .6734 .1588 .3733 -.1388 116 GLN 116 .1632 -.8787 999.9900 1.3059 .5113 .2754 .6803 .5230 .5885 .3841 117 SER 117 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6846 .5368 .5984 .4083 118 THR 118 .7717 999.9900 -.8810 999.9900 .4476 .1128 .6584 -.2723 .1155 .1449 119 ILE 119 .6852 .0606 999.9900 999.9900 .6034 .4497 .6538 .0462 .2994 .4098 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6639 .3093 .4571 .5639 121 LYS 121 .9451 -2.9005 999.9900 -.4035 .7460 -.4033 .6715 .1439 .3637 -.1716 122 HIS 122 .1567 .6357 999.9900 999.9900 .6686 .4870 .6766 .3316 .4753 .4938 123 LEU 123 -.9215 -3.3760 999.9900 999.9900 .9565 -1.1137 .6791 .1591 .3757 -.5006 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6520 .2740 .4360 .4630 Means: -.4458 -1.7309 -.4333 .0963 .7026 -.2772 .6585 .2386 .4140 .0040 2.00 analyzed_12