1 MET 1 999.9900 -1.5870 999.9900 .9587 .5203 -.0360 .6783 .5100 .5865 .2161 2 GLY 2 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5904 .4800 .5291 -.4069 3 HIS 3 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6761 .3216 .4693 -.9061 4 HIS 4 -1.0475 -3.1083 999.9900 999.9900 .6686 -1.1624 .6793 .3203 .4699 -.4975 5 HIS 5 .1408 -3.1083 999.9900 999.9900 .6686 -.7663 .6749 .3297 .4735 -.2589 6 HIS 6 -1.6168 -3.1083 999.9900 999.9900 .6686 -1.3522 .6790 .3321 .4766 -.6091 7 HIS 7 -3.0884 -1.7284 999.9900 999.9900 .6686 -1.3827 .6727 .3236 .4690 -.6304 8 HIS 8 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6726 .3258 .4703 -.9059 9 LEU 9 -3.7702 -.3936 999.9900 999.9900 .9565 -1.0691 .6706 .1577 .3714 -.4758 10 GLU 10 -1.3743 -.8493 999.9900 -1.0323 .6899 -.6415 .6749 .5187 .5838 -.2287 11 MET 11 -1.5488 .0596 999.9900 .9587 .5203 -.0025 .6733 .5186 .5831 .1970 12 ALA 12 -2.5451 999.9900 999.9900 999.9900 .7458 -.8997 .6713 .3134 .4626 -.2036 13 SER 13 .1980 999.9900 -.7153 999.9900 .6705 .0510 .6775 .5370 .5956 .2735 14 GLU 14 -3.2255 -2.8418 999.9900 1.1588 .6899 -1.0547 .6780 .5190 .5852 -.5036 15 GLU 15 -2.8104 -2.1111 999.9900 -1.0323 .6899 -1.3160 .6765 .5325 .5925 -.6758 16 GLY 16 .7683 999.9900 999.9900 999.9900 .7883 .7783 .5816 .4675 .5182 .6514 17 GLN 17 -.3854 -2.2325 999.9900 1.3059 .5113 -.2002 .6770 .5275 .5898 .0673 18 VAL 18 .1037 999.9900 -1.0788 999.9900 .7810 -.0647 .6516 .1275 .3458 .1170 19 ILE 19 -.9523 -.8802 999.9900 999.9900 .6034 -.4097 .6547 .0278 .2890 -.1093 20 ALA 20 -.7843 999.9900 999.9900 999.9900 .7458 -.0193 .6616 .3197 .4622 .2357 21 CYS 21 -.3751 999.9900 1.2918 999.9900 .9108 .6092 .6812 .3120 .4658 .5641 22 HIS 22 -.9209 -.2881 999.9900 999.9900 .6686 -.1801 .6757 .3329 .4757 .0936 23 THR 23 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6579 -.2456 .1308 -.1660 24 VAL 24 .3707 999.9900 -1.0788 999.9900 .7810 .0243 .6581 .1181 .3431 .1698 25 GLU 25 .8733 -1.7714 999.9900 -1.0323 .6899 -.3101 .6784 .5246 .5886 -.0063 26 THR 26 .7717 999.9900 .4804 999.9900 .4476 .5666 .6586 -.2568 .1246 .4203 27 TRP 27 .9545 -3.3859 999.9900 999.9900 .9378 -.4978 .6714 .1812 .3854 -.1282 28 ASN 28 1.0488 -2.7010 999.9900 999.9900 .7518 -.3001 .6803 .3717 .5003 .0303 29 GLU 29 .7157 -1.9198 999.9900 1.1588 .6899 .1611 .6786 .5261 .5896 .3082 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6738 .5265 .5879 .1761 31 LEU 31 .9913 -1.6805 999.9900 999.9900 .9565 .0891 .6770 .1571 .3737 .2203 32 GLN 32 .7451 -.2198 999.9900 1.3059 .5113 .5856 .6757 .5236 .5870 .5903 33 LYS 33 .8536 -1.8181 999.9900 -.4035 .7460 -.2051 .6735 .1643 .3765 -.0268 34 ALA 34 -.1584 999.9900 999.9900 999.9900 .7458 .2937 .6631 .3171 .4612 .3919 35 ASN 35 .6990 -2.3357 999.9900 999.9900 .7518 -.2950 .6822 .3846 .5086 .0364 36 GLU 36 .1449 -.3719 999.9900 -1.0323 .6899 -.1423 .6800 .5221 .5879 .1055 37 SER 37 -.6681 999.9900 -.7153 999.9900 .6705 -.2376 .6710 .5326 .5903 .0981 38 LYS 38 -1.2247 -1.3520 999.9900 -.4035 .7460 -.5275 .6715 .1561 .3708 -.2586 39 THR 39 -.1996 999.9900 -.8810 999.9900 .4476 -.2110 .6570 -.2568 .1240 -.0465 40 LEU 40 -.1991 -3.3760 999.9900 999.9900 .9565 -.8728 .6752 .1580 .3735 -.3571 41 VAL 41 .3758 999.9900 -1.0788 999.9900 .7810 .0260 .6607 .1268 .3493 .1731 42 VAL 42 -.4337 999.9900 .9747 999.9900 .7810 .4407 .6536 .1331 .3500 .4217 43 VAL 43 .2313 999.9900 .8055 999.9900 .7810 .6059 .6556 .1230 .3449 .5193 44 ASP 44 -.3633 -.7683 999.9900 999.9900 .8104 -.1071 .6748 .3731 .4988 .1453 45 PHE 45 -.0400 .5510 999.9900 999.9900 .7573 .4228 .6813 .1008 .3427 .4101 46 THR 46 -.5830 999.9900 -.8810 999.9900 .4476 -.3388 .6582 -.2402 .1341 -.1197 47 ALA 47 -1.1160 999.9900 999.9900 999.9900 .7458 -.1851 .6680 .3254 .4681 .1558 48 SER 48 .6980 999.9900 -.7153 999.9900 .6705 .2177 .6737 .5281 .5888 .3710 49 TRP 49 -.7928 -3.3859 999.9900 999.9900 .9378 -1.0803 .6794 .1827 .3897 -.4758 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6763 .3248 .4713 -.1535 51 GLY 51 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .3397 .4705 .4124 -.0112 52 PRO 52 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .5448 -.3668 .0130 .0556 53 CYS 53 1.1322 -1.5342 999.9900 .2382 .9108 .1868 .6781 .3139 .4657 .2898 54 ARG 54 .6041 .7238 999.9900 .1593 .8581 .5009 .6759 .5199 .5849 .5286 55 PHE 55 -1.4579 -1.0890 999.9900 999.9900 .7573 -.5965 .6791 .0995 .3410 -.2022 56 ILE 56 -1.5193 -1.8577 999.9900 999.9900 .6034 -.9245 .6522 .0530 .3027 -.4137 57 ALA 57 .7636 999.9900 999.9900 999.9900 .7458 .7547 .4912 .3208 .3918 .5803 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5456 -.3496 .0234 -.1170 59 PHE 59 1.0502 -1.8165 999.9900 999.9900 .7573 -.0030 .6772 .0999 .3405 .1536 60 PHE 60 .6090 -.2975 999.9900 999.9900 .7573 .3563 .6787 .1036 .3432 .3702 61 ALA 61 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6625 .3206 .4630 .5231 62 ASP 62 1.0149 -1.8420 999.9900 999.9900 .8104 -.0056 .6785 .3811 .5050 .2086 63 LEU 63 .4996 -2.1315 999.9900 999.9900 .9565 -.2252 .6795 .1577 .3751 .0323 64 ALA 64 .6648 999.9900 999.9900 999.9900 .7458 .7053 .6664 .3266 .4682 .6009 65 LYS 65 .0635 .0465 999.9900 -.4035 .7460 .0098 .6729 .1497 .3677 .1245 66 LYS 66 .8536 -1.0793 999.9900 -.4035 .7460 -.0573 .6785 .1522 .3715 .0777 67 LEU 67 -1.7747 -2.9612 999.9900 999.9900 .9565 -1.2598 .5030 .1574 .3014 -.6238 68 PRO 68 -.1156 999.9900 999.9900 999.9900 .4496 .1670 .5402 -.3543 .0184 .1300 69 ASN 69 .6639 -2.7010 999.9900 999.9900 .7518 -.4284 .6707 .3713 .4961 -.0486 70 VAL 70 -.1817 999.9900 -1.0788 999.9900 .7810 -.1598 .6581 .1100 .3384 .0577 71 LEU 71 -.0411 -2.2115 999.9900 999.9900 .9565 -.4320 .6772 .1664 .3792 -.0905 72 PHE 72 .1097 -1.2830 999.9900 999.9900 .7573 -.1387 .6747 .1076 .3439 .0733 73 LEU 73 -.4552 -2.3037 999.9900 999.9900 .9565 -.6008 .6791 .1485 .3696 -.1950 74 LYS 74 -.3286 -2.4344 999.9900 .1140 .7460 -.3578 .6749 .1683 .3794 -.1351 75 VAL 75 .3894 999.9900 .9747 999.9900 .7810 .7150 .6569 .1239 .3460 .5852 76 ASP 76 -.0991 -2.6388 999.9900 999.9900 .8104 -.6425 .6717 .3825 .5030 -.1747 77 THR 77 .4802 999.9900 .4804 999.9900 .4476 .4694 .6579 -.2437 .1320 .3645 78 ASP 78 .2251 -2.0928 999.9900 999.9900 .8104 -.3524 .6743 .3786 .5018 -.0009 79 GLU 79 -2.5676 -1.3804 999.9900 1.1588 .6899 -.5248 .6837 .5150 .5853 -.1501 80 LEU 80 -2.3851 -3.3760 999.9900 999.9900 .9565 -1.6015 .6823 .1555 .3750 -.7933 81 LYS 81 1.2214 -1.5918 999.9900 -.4035 .7460 -.0863 .6741 .1546 .3711 .0568 82 SER 82 1.1864 999.9900 .8786 999.9900 .6705 .9118 .6773 .5408 .5977 .7907 83 VAL 83 .7683 999.9900 -1.0788 999.9900 .7810 .1569 .6564 .1125 .3391 .2479 84 ALA 84 .7636 999.9900 999.9900 999.9900 .7458 .7547 .6631 .3157 .4605 .6221 85 SER 85 .8349 999.9900 -.7153 999.9900 .6705 .2633 .6749 .5323 .5917 .3995 86 ASP 86 1.3227 -2.0928 999.9900 999.9900 .8104 .0134 .6721 .3750 .4988 .2175 87 TRP 87 -1.3140 -.0877 999.9900 999.9900 .9378 -.1546 .6785 .1930 .3953 .0815 88 ALA 88 -2.4409 999.9900 999.9900 999.9900 .7458 -.8476 .6609 .3207 .4624 -.1784 89 ILE 89 -2.7096 .8778 999.9900 999.9900 .6034 -.4095 .6570 .0364 .2949 -.1070 90 GLN 90 -.9283 -1.1512 999.9900 1.3059 .5113 -.0656 .6740 .5224 .5856 .1557 91 ALA 91 -.9131 999.9900 999.9900 999.9900 .7458 -.0837 .6674 .3120 .4601 .2030 92 MET 92 -.5247 .2906 999.9900 .9587 -1.9874 -.3157 .4918 .5198 .5081 -.0419 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5474 -.3853 .0034 .2579 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6568 -.2534 .1258 .0922 95 PHE 95 -.2255 -.9296 999.9900 999.9900 .7573 -.1326 .6755 .1062 .3434 .0768 96 MET 96 -.3503 -.5441 999.9900 .9587 .5203 .1461 .6744 .5243 .5869 .2972 97 PHE 97 -.2255 -4.3038 999.9900 999.9900 .7573 -1.2573 .6770 .1045 .3431 -.5981 98 LEU 98 -1.1512 -2.4128 999.9900 999.9900 .9565 -.8692 .6735 .1515 .3690 -.3565 99 LYS 99 -.4529 -.2831 999.9900 .5368 .7460 .2167 .6803 .1568 .3749 .2744 100 GLU 100 -1.4621 -.3559 999.9900 -1.0323 .6899 -.5401 .6806 .5175 .5855 -.1604 101 GLY 101 .7683 999.9900 999.9900 999.9900 .7883 .7783 .5813 .4724 .5208 .6526 102 LYS 102 -.3161 -.7357 999.9900 -.4035 .7460 -.2226 .6752 .1467 .3669 -.0416 103 ILE 103 -1.3252 -.2084 999.9900 999.9900 .6034 -.3100 .6642 .0461 .3036 -.0440 104 LEU 104 -2.8468 -.9670 999.9900 999.9900 .9565 -.9524 .6858 .1627 .3807 -.4018 105 ASP 105 -.9091 -3.1847 999.9900 999.9900 .8104 -1.0944 .6731 .3790 .5016 -.4462 106 LYS 106 -.3223 -.2178 999.9900 -.4035 .7460 -.1202 .6810 .1497 .3711 .0328 107 VAL 107 -.4049 999.9900 -.2457 999.9900 .7810 .0435 .6543 .1120 .3380 .1793 108 VAL 108 .0815 999.9900 -1.0788 999.9900 .7810 -.0721 .6586 .1305 .3505 .1146 109 GLY 109 -.3679 999.9900 999.9900 999.9900 .7883 .2102 .5956 .4828 .5329 .3747 110 ALA 110 -1.5027 999.9900 999.9900 999.9900 .7458 -.3784 .6684 .3252 .4682 .0592 111 LYS 111 -.9887 -2.1617 999.9900 -.4035 .7460 -.6423 .6770 .1592 .3749 -.3393 112 LYS 112 1.2214 -2.4344 999.9900 .4411 .7460 .0831 .6800 .1588 .3760 .1792 113 ASP 113 1.3227 .2365 999.9900 999.9900 .8104 .7899 .6731 .3754 .4994 .6836 114 GLU 114 .5470 .8332 999.9900 .3501 .6899 .6051 .6782 .5134 .5821 .6020 115 LEU 115 .2355 -2.7185 999.9900 999.9900 .9565 -.5088 .6742 .1555 .3716 -.1394 116 GLN 116 .1632 -.4838 999.9900 1.3059 .5113 .3741 .6745 .5277 .5889 .4498 117 SER 117 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6816 .5274 .5917 .4059 118 THR 118 .7717 999.9900 -.8810 999.9900 .4476 .1128 .6643 -.2645 .1225 .1476 119 ILE 119 .6852 -2.2551 999.9900 999.9900 .6034 -.3222 .6566 .0422 .2982 -.0535 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6672 .3146 .4615 .5660 121 LYS 121 1.0429 -2.4344 999.9900 -.4035 .7460 -.2905 .6723 .1633 .3754 -.0881 122 HIS 122 -.5879 .6357 999.9900 999.9900 .6686 .2388 .6826 .3299 .4769 .3458 123 LEU 123 -.4979 -3.3760 999.9900 999.9900 .9565 -.9725 .6761 .1654 .3782 -.4152 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6602 .2464 .4237 .4533 Means: -.3480 -1.5891 -.3673 .1031 .7026 -.2139 .6588 .2402 .4151 .0432 2.00 analyzed_2