1 MET 1 999.9900 .8879 999.9900 .9587 .6113 .8193 .5090 .5926 .5546 .7119 2 ALA 2 -1.5027 999.9900 999.9900 999.9900 .0817 -.7105 .1069 .6803 .4414 -.1585 3 ASP 3 -.7005 -2.4630 999.9900 999.9900 -.4783 -1.2139 -.5946 .5753 .0878 -.7322 4 THR 4 -.4891 999.9900 -.2947 999.9900 .6695 -.0381 .0712 .2409 .1702 .0396 5 GLY 5 -1.1938 999.9900 999.9900 999.9900 .6890 -.2524 -.1984 .0191 -.0775 -.1710 6 GLU 6 -3.2255 .7809 999.9900 -1.0323 .3223 -.7887 -.4220 .0439 -.1502 -.5888 7 VAL 7 .0764 999.9900 .1416 999.9900 -1.0415 -.2745 -1.3843 .3823 -.3538 -.3651 8 GLN 8 -.4190 -.6527 999.9900 1.3059 .0346 .0672 -.9171 .4080 -.1441 -.0401 9 PHE 9 .2013 .7639 999.9900 999.9900 -.0075 .3192 .4121 .3526 .3774 .3445 10 MET 10 -.1025 -2.5481 999.9900 .9587 -.8385 -.6326 -.1537 .3455 .1375 -.3898 11 LYS 11 -.8267 .7114 999.9900 .4996 -.4892 .0789 .3779 .2558 .3067 .1469 12 PRO 12 .6201 999.9900 999.9900 999.9900 -.1935 .2133 -.2297 .5164 .2055 .1783 13 PHE 13 -.6534 -.1118 999.9900 999.9900 .2172 -.1827 .1319 .4865 .3388 .0141 14 ILE 14 .1597 .6227 999.9900 999.9900 -1.4322 -.2166 -.4290 .3507 .0258 -.1456 15 SER 15 .1386 999.9900 -.0289 999.9900 .5215 .2104 .5244 .6197 .5800 .3551 16 GLU 16 .5470 .6231 999.9900 -1.0323 .2101 .0870 .0747 .4350 .2849 .1429 17 LYS 17 -2.0221 -1.6955 999.9900 -.0397 -1.4057 -1.0406 .2196 -.2983 -.0825 -.7545 18 SER 18 -.1309 999.9900 .6576 999.9900 .7781 .4350 .1944 .6863 .4814 .4371 19 SER 19 .7489 999.9900 -.0289 999.9900 -.0193 .2336 .2894 .4714 .3956 .2923 20 LYS 20 -3.0472 .8596 999.9900 .2495 -.6710 -.4719 -.0799 .3424 .1664 -.2996 21 SER 21 .0280 999.9900 .6576 999.9900 .3749 .3535 .3665 -.0694 .1123 .2715 22 LEU 22 .0986 .5655 999.9900 999.9900 .9730 .5457 -1.5157 -1.5766 -1.5512 -.2911 23 GLU 23 -.7937 -.7281 999.9900 -1.0323 .0814 -.6182 -.1221 -.6285 -.4175 -.5372 24 ILE 24 .3543 .6227 999.9900 999.9900 .3195 .4322 .3732 .5086 .4522 .4357 25 PRO 25 .5449 999.9900 999.9900 999.9900 -.8366 -.1458 .4710 .4766 .4743 .1640 26 LEU 26 .6509 -1.4996 999.9900 999.9900 .7753 -.0245 .4281 .4688 .4519 .1647 27 GLY 27 .9829 999.9900 999.9900 999.9900 .7039 .8434 .5615 .6123 .5897 .7151 28 PHE 28 .6090 .7639 999.9900 999.9900 .9272 .7667 .6007 .3891 .4773 .6580 29 ASN 29 .0279 -.3564 999.9900 999.9900 .3127 -.0053 -.0118 -.0037 -.0071 -.0063 30 GLU 30 .0468 -.2267 999.9900 -1.0323 .4218 -.1976 .5000 .5845 .5493 .0490 31 TYR 31 .6431 -.3119 999.9900 999.9900 -.1498 .0604 .4669 .4021 .4291 .2101 32 PHE 32 -3.0756 -.1460 999.9900 999.9900 .2172 -1.0015 .0214 -.0412 -.0151 -.6048 33 PRO 33 -.2605 999.9900 999.9900 999.9900 .8563 .2979 -2.1934 .0229 -.9005 -.3937 34 ALA 34 -.4433 999.9900 999.9900 999.9900 -.8374 -.6404 -.0633 .0317 -.0079 -.3281 35 PRO 35 .4049 999.9900 999.9900 999.9900 -.8366 -.2159 .5971 .4419 .5066 .1518 36 PHE 36 -.8715 -.4925 999.9900 999.9900 .2172 -.3823 -.0393 .3296 .1759 -.1713 37 PRO 37 -.2410 999.9900 999.9900 999.9900 .6188 .1889 -.3199 .6311 .2348 .1722 38 ILE 38 -.2490 -.0177 999.9900 999.9900 .9338 .2224 .1947 .5820 .4206 .2888 39 THR 39 .3976 999.9900 -.8810 999.9900 .6112 .0426 -.4033 .4526 .0960 .0354 40 VAL 40 -.0523 999.9900 .5873 999.9900 -.0858 .1497 -.2391 -1.4784 -.9620 -.2537 41 ASP 41 -1.6875 -.4551 999.9900 999.9900 -.1878 -.7768 .2797 .3159 .3008 -.3470 42 LEU 42 .0291 .8730 999.9900 999.9900 .8331 .5784 .2865 .6083 .4742 .5260 43 LEU 43 -.1196 -1.5832 999.9900 999.9900 -1.0998 -.9342 -.2852 .4280 .1308 -.5320 44 ASP 44 -.6569 -.8657 999.9900 999.9900 -.7687 -.7638 .2693 .4835 .3943 -.3077 45 TYR 45 .3981 .2884 999.9900 999.9900 .6984 .4617 .4358 .2618 .3343 .4165 46 SER 46 .4341 999.9900 -.0289 999.9900 .8558 .4203 .4473 .5669 .5171 .4550 47 GLY 47 -.2271 999.9900 999.9900 999.9900 .6890 .2310 .4720 .6955 .5962 .4074 48 ARG 48 -.6502 1.0644 999.9900 1.8004 .6379 .9306 .1503 .5973 .4110 .7715 49 SER 49 -.5771 999.9900 .6576 999.9900 .7781 .2862 .0726 .6487 .4086 .3160 50 TRP 50 -.1712 -1.3095 999.9900 999.9900 -.9146 -.7984 -.7325 .4419 -.0474 -.5372 51 THR 51 -1.0713 999.9900 .8779 999.9900 -1.3910 -.5281 -.7653 .3186 -.1330 -.4062 52 VAL 52 -.8595 999.9900 .1416 999.9900 .7810 .0211 -.6064 .5539 .0704 .0021 53 ARG 53 -.5160 .7735 999.9900 .9503 .3956 .5107 .5691 .3301 .4297 .4933 54 MET 54 -.8637 .5321 999.9900 .9587 -.8385 -.0528 .0592 .5896 .3686 .0729 55 LYS 55 -.2799 1.1634 999.9900 -.0397 -.3378 .0932 .1676 .6303 .4375 .1806 56 LYS 56 -.3414 .0381 999.9900 -.0770 -.6710 -.2257 -1.8776 -.2595 -.9337 -.4665 57 ARG 57 -1.3391 -2.8571 999.9900 1.2696 -1.7309 -.6776 -.2493 .3313 .0894 -.4723 58 GLY 58 -1.1938 999.9900 999.9900 999.9900 .9364 -.1287 -.3057 .6181 .2075 .0138 59 GLU 59 -1.0629 .8034 999.9900 -1.0323 -1.0906 -.5956 .2816 .4113 .3572 -.2816 60 LYS 60 -.8956 .0381 999.9900 .6177 -.4103 -.0065 -.2205 .6731 .3008 .0600 61 VAL 61 .5332 999.9900 .7395 999.9900 .8778 .7168 -1.1656 .4982 -.1951 .2966 62 PHE 62 -.1586 .4845 999.9900 999.9900 .8956 .4072 -2.5094 .3644 -.8330 -.1847 63 LEU 63 -.0792 -1.0719 999.9900 999.9900 -2.0927 -1.0812 -1.5791 -.2441 -.8004 -1.0134 64 THR 64 -4.2065 999.9900 -.8810 999.9900 -2.7258 -2.6044 -.9851 -.1388 -.4914 -1.7874 65 VAL 65 -1.2071 999.9900 .3968 999.9900 -1.3636 -.7247 .2973 .1679 .2218 -.3417 66 GLY 66 -2.1575 999.9900 999.9900 999.9900 -.5578 -1.3576 -.6090 .1462 -.1895 -.7945 67 TRP 67 .4280 .5502 999.9900 999.9900 .4467 .4750 .3472 .5647 .4741 .4674 68 GLU 68 .8733 .7809 999.9900 .3501 -.3984 .4015 .3186 .6031 .4846 .4213 69 ASN 69 .9310 1.2520 999.9900 999.9900 .9106 1.0312 .0523 .6627 .4084 .7617 70 PHE 70 .6259 -.6308 999.9900 999.9900 .5949 .1967 .5167 .5427 .5319 .3299 71 VAL 71 .5660 999.9900 -1.0788 999.9900 -.2503 -.2544 -.1270 .5570 .2720 -.0666 72 LYS 72 .6751 .8596 999.9900 .6506 -.2707 .5130 .3538 .5339 .4588 .4933 73 ASP 73 .9921 -.6186 999.9900 999.9900 .6856 .3530 -.1619 .2061 .0528 .2207 74 ASN 74 .0188 -1.5725 999.9900 999.9900 .9106 -.2144 .5306 .4116 .4612 .0598 75 ASN 75 -3.4329 -1.5725 999.9900 999.9900 .1585 -1.6156 .3628 -.0012 .1505 -.8971 76 LEU 76 -.1655 -1.8410 999.9900 999.9900 -.7775 -.9280 -.2519 .3006 .0704 -.5471 77 GLU 77 -1.2742 -1.0866 999.9900 -1.0323 .5923 -.7002 .2634 .2629 .2631 -.3791 78 ASP 78 -.1718 -1.2961 999.9900 999.9900 .6310 -.2790 .0561 .4892 .3087 -.0583 79 GLY 79 -1.3026 999.9900 999.9900 999.9900 .5069 -.3978 .1464 .6532 .4280 .0010 80 LYS 80 -.3414 1.1634 999.9900 .7184 .4783 .5474 .0931 .6495 .4177 .4971 81 TYR 81 .6005 -.0856 999.9900 999.9900 .2769 .2639 -.4631 .5189 .1098 .1695 82 LEU 82 -.4552 -1.9980 999.9900 999.9900 -1.5756 -1.3429 -.1342 .4719 .2194 -.7382 83 GLN 83 -.2750 -.0698 999.9900 1.3059 .7055 .4166 -1.0240 .1530 -.3374 .1326 84 PHE 84 -.2255 .5589 999.9900 999.9900 .7193 .3509 .0393 .5360 .3291 .3256 85 ILE 85 -.3198 .2838 999.9900 999.9900 .4509 .1383 -.0490 .5388 .2939 .1809 86 TYR 86 .1961 -.7306 999.9900 999.9900 -1.3683 -.6343 .5164 .6033 .5671 -.1566 87 ASP 87 -.6028 -2.0001 999.9900 999.9900 .3772 -.7419 .3570 .4858 .4321 -.2766 88 ARG 88 -1.3837 -2.8571 999.9900 .1593 .4407 -.6963 -.7318 -.5214 -.6090 -.6764 89 ASP 89 -2.1057 -.9304 999.9900 999.9900 -.1878 -1.0746 -.5588 .5051 .0618 -.6555 90 ARG 90 -.8806 -2.8571 999.9900 1.0005 -1.7309 -.6935 .2289 .1622 .1900 -.4395 91 THR 91 .5084 999.9900 -.8810 999.9900 -1.0006 -.4577 .2041 -.3024 -.0914 -.2943 92 PHE 92 -.0017 .5589 999.9900 999.9900 -.9498 -.1308 .2264 .5922 .4398 .0852 93 TYR 93 -.1387 .2608 999.9900 999.9900 -.4027 -.0936 .1943 .2950 .2530 .0417 94 VAL 94 .2313 999.9900 -.0276 999.9900 .1378 .1138 .2419 .6789 .4968 .2525 95 ILE 95 .4877 .6227 999.9900 999.9900 .5300 .5468 .1403 .5831 .3986 .4728 96 ILE 96 -.6670 -3.0500 999.9900 999.9900 .3195 -1.1325 -.1907 .5001 .2123 -.6176 97 TYR 97 -.3077 .3615 999.9900 999.9900 .2066 .0868 -.4983 .4500 .0549 .0424 98 GLY 98 -.4877 999.9900 999.9900 999.9900 .5943 .0533 -1.0315 -.2228 -.5822 -.2869 99 HIS 99 -1.1973 -2.0147 999.9900 999.9900 .5967 -.8718 .3176 .3818 .3551 -.3832 100 ASN 100 -1.7258 .2165 999.9900 999.9900 -.2632 -.5908 .5266 .4682 .4926 -.1555 101 MET 101 -1.6625 .8879 999.9900 .9587 -.3043 -.0300 .2723 .5198 .4167 .1120 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .1737 .2466 .2154 .1833 Means: -.4394 -.3331 .0451 .4134 -.0283 -.1610 -.0853 .3304 .1564 -.0521 2.00 refined_7