1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6681 .5001 .5765 .0198 2 GLY 2 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5748 .4672 .5151 -.4140 3 HIS 3 -1.9498 -3.1083 999.9900 999.9900 .6686 -1.4632 .6819 .3318 .4777 -.6752 4 HIS 4 -3.0884 -.2881 999.9900 999.9900 .6686 -.9026 .6771 .3341 .4770 -.3393 5 HIS 5 -2.5191 -3.1083 999.9900 999.9900 .6686 -1.6529 .6780 .3300 .4750 -.7902 6 HIS 6 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6776 .3278 .4736 -.9045 7 HIS 7 -.6701 -1.3248 999.9900 999.9900 .6686 -.4421 .6801 .3240 .4724 -.0644 8 HIS 8 -.9818 -2.4183 999.9900 999.9900 .6686 -.9105 .6740 .3202 .4676 -.3475 9 LEU 9 -1.7747 -2.9612 999.9900 999.9900 .9565 -1.2598 .6757 .1443 .3658 -.5919 10 GLU 10 -.4325 -1.4588 999.9900 .3501 .6899 -.2128 .6739 .5224 .5855 .0575 11 MET 11 -1.8017 -2.0676 999.9900 .9587 .5203 -.5976 .6797 .5210 .5871 -.1983 12 ALA 12 -3.0686 999.9900 999.9900 999.9900 .7458 -1.1614 .6669 .3177 .4632 -.3345 13 SER 13 -2.9368 999.9900 -.0289 999.9900 .6705 -.7650 .6780 .5259 .5893 -.2182 14 GLU 14 -1.0962 -1.9198 999.9900 -1.0323 .6899 -.8396 .6776 .5121 .5811 -.3614 15 GLU 15 -1.9801 1.2230 999.9900 -1.0323 .6899 -.2749 .6807 .5173 .5854 .0164 16 GLY 16 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5935 .4745 .5274 .7426 17 GLN 17 -.4306 -2.2325 999.9900 1.3059 .5113 -.2115 .6768 .5130 .5813 .0573 18 VAL 18 -.7345 999.9900 -1.0788 999.9900 .7810 -.3441 .6599 .1193 .3445 -.0506 19 ILE 19 -.3198 .9074 999.9900 999.9900 .6034 .3970 .6649 .0409 .3009 .3794 20 ALA 20 -.7587 999.9900 999.9900 999.9900 .7458 -.0064 .6697 .3186 .4649 .2438 21 CYS 21 -.3751 999.9900 .1296 999.9900 .9108 .2218 .6797 .3219 .4710 .3334 22 HIS 22 -.7145 1.3140 999.9900 999.9900 .6686 .4227 .6802 .3230 .4718 .4543 23 THR 23 -.8088 999.9900 .0483 999.9900 .4476 -.1043 .6566 -.2506 .1274 .0186 24 VAL 24 .3707 999.9900 -1.0788 999.9900 .7810 .0243 .6561 .1311 .3498 .1720 25 GLU 25 .7157 -1.9198 999.9900 .3501 .6899 -.0410 .6779 .5230 .5875 .1728 26 THR 26 1.2375 999.9900 .6346 999.9900 .4476 .7732 .6613 -.2680 .1192 .5426 27 TRP 27 .9545 .0052 999.9900 999.9900 .9378 .6325 .6798 .1944 .3966 .5543 28 ASN 28 1.0488 -3.3254 999.9900 999.9900 .7518 -.5083 .6754 .3813 .5039 -.0936 29 GLU 29 .7157 -2.1111 999.9900 -1.0323 .6899 -.4345 .6760 .5201 .5851 -.0903 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6791 .5296 .5919 .1774 31 LEU 31 .8182 -1.5540 999.9900 999.9900 .9565 .0736 .6759 .1455 .3665 .2084 32 GLN 32 .7451 -1.0871 999.9900 1.3059 .5113 .3688 .6802 .5204 .5870 .4460 33 LYS 33 .8536 -1.8181 999.9900 .8261 .7460 .2867 .6772 .1463 .3675 .3225 34 ALA 34 -.1584 999.9900 999.9900 999.9900 .7458 .2937 .6644 .3182 .4625 .3925 35 ASN 35 -.1896 -1.8756 999.9900 999.9900 .7518 -.4378 .6783 .3835 .5063 -.0503 36 GLU 36 .1449 -.1765 999.9900 -1.0323 .6899 -.0935 .6811 .5222 .5884 .1382 37 SER 37 -.3643 999.9900 -.7153 999.9900 .6705 -.1364 .6753 .5356 .5938 .1603 38 LYS 38 -1.3259 -1.3520 999.9900 -.4035 .7460 -.5478 .6747 .1544 .3712 -.2728 39 THR 39 -.6341 999.9900 -.8810 999.9900 .4476 -.3558 .6661 -.2405 .1372 -.1284 40 LEU 40 -.1991 -3.3760 999.9900 999.9900 .9565 -.8728 .6746 .1510 .3692 -.3586 41 VAL 41 .3116 999.9900 -1.0788 999.9900 .7810 .0046 .6537 .1184 .3414 .1572 42 VAL 42 -.4002 999.9900 -1.0788 999.9900 .7810 -.2326 .6597 .1249 .3477 .0173 43 VAL 43 .2313 999.9900 .5873 999.9900 .7810 .5332 .6551 .1153 .3402 .4740 44 ASP 44 -.2609 -1.2276 999.9900 999.9900 .8104 -.2260 .6777 .3781 .5030 .0755 45 PHE 45 -.2560 .0419 999.9900 999.9900 .7573 .1811 .6772 .1116 .3472 .2664 46 THR 46 -.2075 999.9900 -.8810 999.9900 .4476 -.2137 .6569 -.2529 .1261 -.0474 47 ALA 47 -1.1160 999.9900 999.9900 999.9900 .7458 -.1851 .6646 .3097 .4576 .1510 48 SER 48 .7489 999.9900 -.7153 999.9900 .6705 .2347 .6786 .5356 .5952 .3836 49 TRP 49 -1.3140 -3.3859 999.9900 999.9900 .9378 -1.2540 .6799 .1936 .3962 -.5777 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6760 .3134 .4645 -.1555 51 GLY 51 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .3451 .4716 .4154 -.0096 52 PRO 52 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .5477 -.3876 .0021 .0511 53 CYS 53 .4157 -2.0054 999.9900 .2382 .9108 -.1102 .6754 .3148 .4650 .0916 54 ARG 54 .6041 -.1877 999.9900 1.0776 .8581 .6860 .6692 .5135 .5784 .6589 55 PHE 55 -.5871 .0348 999.9900 999.9900 .7573 .0683 .6756 .1068 .3438 .1975 56 ILE 56 -1.5964 -2.2551 999.9900 999.9900 .6034 -1.0827 .6509 .0371 .2928 -.5120 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4861 .3152 .3864 .4777 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5399 -.3752 .0061 -.1249 59 PHE 59 1.0502 -1.6624 999.9900 999.9900 .7573 .0484 .6812 .1069 .3462 .1867 60 PHE 60 .6090 -1.1947 999.9900 999.9900 .7573 .0572 .6791 .1019 .3424 .1905 61 ALA 61 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6628 .3141 .4594 .5216 62 ASP 62 1.0149 -.1779 999.9900 999.9900 .8104 .5491 .6786 .3843 .5069 .5421 63 LEU 63 .4996 -2.4128 999.9900 999.9900 .9565 -.3189 .6726 .1489 .3671 -.0270 64 ALA 64 .7636 999.9900 999.9900 999.9900 .7458 .7547 .6666 .3104 .4588 .6216 65 LYS 65 .0195 -.0337 999.9900 -.4035 .7460 -.0150 .6804 .1559 .3744 .1087 66 LYS 66 .8536 -.8858 999.9900 -.0397 .7460 .1269 .6755 .1693 .3802 .2113 67 LEU 67 -1.5748 -2.9612 999.9900 999.9900 .9565 -1.1932 .4801 .1511 .2881 -.5897 68 PRO 68 -1.3449 999.9900 999.9900 999.9900 .4496 -.4476 .5400 -.3689 .0098 -.1810 69 ASN 69 -.9968 -1.0869 999.9900 999.9900 .7518 -.4440 .6806 .3811 .5059 -.0540 70 VAL 70 -.3682 999.9900 .8055 999.9900 .7810 .4061 .6543 .1185 .3418 .3982 71 LEU 71 -.1775 -2.5464 999.9900 999.9900 .9565 -.5891 .6822 .1545 .3744 -.1861 72 PHE 72 .1161 -1.2830 999.9900 999.9900 .7573 -.1365 .6808 .1108 .3483 .0764 73 LEU 73 -.6392 -3.3760 999.9900 999.9900 .9565 -1.0196 .6677 .1506 .3661 -.4481 74 LYS 74 -.3286 -1.8181 999.9900 -.4035 .7460 -.4416 .6780 .1498 .3699 -.1971 75 VAL 75 .3894 999.9900 -.0276 999.9900 .7810 .3809 .6596 .1204 .3451 .3846 76 ASP 76 -.1788 -2.3194 999.9900 999.9900 .8104 -.5626 .6777 .3803 .5042 -.1260 77 THR 77 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6536 -.2424 .1310 .0916 78 ASP 78 .8349 -1.1646 999.9900 999.9900 .8104 .1603 .6748 .3799 .5028 .3071 79 GLU 79 -2.2616 -1.9198 999.9900 -1.0323 .6899 -1.1310 .6750 .5159 .5822 -.5555 80 LEU 80 -3.3085 -2.5464 999.9900 999.9900 .9565 -1.6328 .6770 .1578 .3742 -.8127 81 LYS 81 .6780 -2.1617 999.9900 -.4035 .7460 -.3089 .6758 .1610 .3755 -.1011 82 SER 82 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6796 .5371 .5965 .4716 83 VAL 83 .8065 999.9900 .3968 999.9900 .7810 .6614 .6529 .1150 .3392 .5505 84 ALA 84 .8241 999.9900 999.9900 999.9900 .7458 .7850 .6703 .3194 .4656 .6399 85 SER 85 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6744 .5269 .5884 .4686 86 ASP 86 .9343 -2.6388 999.9900 999.9900 .8104 -.2980 .6760 .3780 .5022 .0320 87 TRP 87 -1.3140 -.0877 999.9900 999.9900 .9378 -.1546 .6732 .1873 .3897 .0793 88 ALA 88 -2.6726 999.9900 999.9900 999.9900 .7458 -.9634 .6640 .3270 .4674 -.2340 89 ILE 89 -.5593 -.3653 999.9900 999.9900 .6034 -.1071 .6582 .0430 .2993 .0760 90 GLN 90 -1.1984 -1.0871 999.9900 1.3059 .5113 -.1171 .6732 .5216 .5848 .1211 91 ALA 91 -.7739 999.9900 999.9900 999.9900 .7458 -.0141 .6614 .3234 .4642 .2392 92 MET 92 -.6588 -2.0676 999.9900 .9587 -1.9874 -.9388 .4821 .5221 .5054 -.4585 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5417 -.3573 .0172 .2634 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6596 -.2265 .1427 .0981 95 PHE 95 -.2457 -.1548 999.9900 999.9900 .7573 .1190 .6777 .1170 .3506 .2303 96 MET 96 -.2520 -1.4323 999.9900 .9587 .5203 -.0513 .6768 .5264 .5891 .1663 97 PHE 97 -.0168 -4.3038 999.9900 999.9900 .7573 -1.1878 .6771 .1039 .3428 -.5564 98 LEU 98 -1.2649 -3.3760 999.9900 999.9900 .9565 -1.2281 .6803 .1623 .3781 -.5683 99 LYS 99 -.6960 -.2831 999.9900 .3240 .7460 .0830 .6755 .1562 .3726 .1781 100 GLU 100 -1.4621 -.3559 999.9900 1.1588 .6899 .0077 .6788 .5213 .5869 .2051 101 GLY 101 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5872 .4795 .5274 .7216 102 LYS 102 -.3350 -1.2879 999.9900 -.0397 .7460 -.1913 .6780 .1580 .3746 -.0172 103 ILE 103 -1.3252 .5533 999.9900 999.9900 .6034 -.0562 .6595 .0341 .2947 .1050 104 LEU 104 -2.8468 -.9670 999.9900 999.9900 .9565 -.9524 .6764 .1501 .3694 -.4062 105 ASP 105 -.9091 -3.7306 999.9900 999.9900 .8104 -1.2764 .6812 .3873 .5098 -.5521 106 LYS 106 -1.3827 -2.4344 999.9900 .3240 .7460 -.4846 .6806 .1558 .3745 -.2266 107 VAL 107 -.3161 999.9900 .5873 999.9900 .7810 .3507 .6587 .1236 .3466 .3669 108 VAL 108 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .6645 .1255 .3501 .0203 109 GLY 109 -.4135 999.9900 999.9900 999.9900 .7883 .1874 .5760 .4667 .5152 .3543 110 ALA 110 -1.5027 999.9900 999.9900 999.9900 .7458 -.3784 .6659 .3283 .4690 .0593 111 LYS 111 -.4529 -1.2293 999.9900 -.4035 .7460 -.3486 .6717 .1450 .3644 -.1324 112 LYS 112 .9451 -1.8181 999.9900 -.0397 .7460 -.0413 .6803 .1704 .3828 .0920 113 ASP 113 1.0815 -2.6388 999.9900 999.9900 .8104 -.2490 .6772 .3841 .5062 .0629 114 GLU 114 .8604 -2.1111 999.9900 -1.0323 .6899 -.3983 .6784 .5219 .5871 -.0655 115 LEU 115 .2355 -2.7185 999.9900 999.9900 .9565 -.5088 .6759 .1592 .3745 -.1383 116 GLN 116 .1632 -2.6982 999.9900 1.3059 .5113 -.1795 .6772 .5203 .5857 .0799 117 SER 117 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6779 .5370 .5957 .4070 118 THR 118 .7717 999.9900 -.2947 999.9900 .4476 .3082 .6537 -.2488 .1273 .2659 119 ILE 119 .6852 -1.4972 999.9900 999.9900 .6034 -.0695 .6603 .0351 .2956 .0974 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6688 .3255 .4686 .5691 121 LYS 121 1.0429 -2.9005 999.9900 -.4035 .7460 -.3837 .6817 .1658 .3808 -.1530 122 HIS 122 .2028 .6357 999.9900 999.9900 .6686 .5024 .6756 .3188 .4675 .5003 123 LEU 123 -.9215 -3.3760 999.9900 999.9900 .9565 -1.1137 .6766 .1517 .3704 -.5025 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6620 .2501 .4267 .4561 Means: -.3678 -1.6577 -.4023 .1419 .7026 -.2312 .6589 .2398 .4149 .0325 2.00 analyzed_1