1 MET 1 999.9900 1.0862 999.9900 1.7963 -.1136 .9230 .1194 .5413 .3495 .6859 2 ALA 2 -1.9992 999.9900 999.9900 999.9900 .8416 -.5788 -.2226 .5336 .2185 -.2116 3 ASP 3 -1.2094 -1.4542 999.9900 999.9900 .5431 -.7068 -.3393 .6139 .2167 -.3692 4 THR 4 -.2485 999.9900 -.2947 999.9900 -.7236 -.4223 .4836 .4347 .4550 -.0697 5 GLY 5 .6767 999.9900 999.9900 999.9900 .0351 .3559 -.7635 .3950 -.1199 .0858 6 GLU 6 -1.7894 .6046 999.9900 -1.0323 -.1867 -.6009 -.7379 -.3162 -.4919 -.5763 7 VAL 7 .0764 999.9900 -.2457 999.9900 .2853 .0387 -.4875 .5563 .1214 .0370 8 GLN 8 -.4190 -.2368 999.9900 1.3059 -.2736 .0941 -.9972 .5366 -.1025 -.0140 9 PHE 9 -.1316 .7639 999.9900 999.9900 .2172 .2831 -.2281 .2784 .0673 .1799 10 MET 10 -.2922 -2.5481 999.9900 .9587 -.3043 -.5465 -.0481 .3295 .1722 -.3174 11 LYS 11 -.7523 -2.9005 999.9900 -.4035 .5595 -.7801 .2680 .3338 .3064 -.4712 12 PRO 12 .6201 999.9900 999.9900 999.9900 .2426 .4314 .2776 .3920 .3443 .3831 13 PHE 13 .0900 -.6014 999.9900 999.9900 -.5721 -.3612 .1072 .5029 .3380 -.0947 14 ILE 14 .1597 .6227 999.9900 999.9900 -1.2029 -.1401 .2659 .3284 .3023 .0348 15 SER 15 1.0911 999.9900 -.7153 999.9900 .3425 .2394 .6209 .6636 .6458 .4005 16 GLU 16 1.0761 .6046 999.9900 .3501 .2101 .5602 .5694 .6515 .6173 .5770 17 LYS 17 .0419 -.2695 999.9900 .8634 .5850 .4168 .4643 .5653 .5233 .4448 18 SER 18 .4640 999.9900 -.7153 999.9900 .1597 -.0305 -.0163 .5769 .3297 .0938 19 SER 19 .7489 999.9900 -.0289 999.9900 -.7427 -.0076 .3734 .6232 .5191 .1948 20 LYS 20 -3.5196 -1.0359 999.9900 1.0544 -1.2036 -.7301 .3628 .5171 .4528 -.3958 21 SER 21 .2875 999.9900 .6576 999.9900 .3425 .4292 .4959 .6309 .5746 .4829 22 LEU 22 -.5127 -1.8410 999.9900 999.9900 .9565 -.4657 -.5226 .3668 -.0038 -.3106 23 GLU 23 -.3890 -.5578 999.9900 -1.0323 -1.2865 -.8164 -.2814 .6995 .2908 -.4746 24 ILE 24 .4877 .6227 999.9900 999.9900 .6382 .5829 .4296 .2276 .3118 .4812 25 PRO 25 .3725 999.9900 999.9900 999.9900 -1.0436 -.3356 .4888 .6245 .5679 .1105 26 LEU 26 .8786 .5315 999.9900 999.9900 .8331 .7477 .6679 .5754 .6139 .6973 27 GLY 27 .9829 999.9900 999.9900 999.9900 .7883 .8856 .6414 .6707 .6577 .7708 28 PHE 28 -.5116 .3244 999.9900 999.9900 -.5721 -.2531 .4497 .5182 .4896 .0417 29 ASN 29 .5887 .1037 999.9900 999.9900 .1585 .2836 .1094 .1724 .1462 .2265 30 GLU 30 -.2127 .7809 999.9900 -1.0323 .0339 -.1076 .4487 .3157 .3711 .0557 31 TYR 31 -.0710 -.1729 999.9900 999.9900 .2066 -.0124 .4477 .3790 .4076 .1579 32 PHE 32 -1.6194 -.0709 999.9900 999.9900 -2.2412 -1.3105 .2097 .0778 .1327 -.7288 33 PRO 33 -.7236 999.9900 999.9900 999.9900 -1.3105 -1.0171 -1.6293 .0684 -.6390 -.8988 34 ALA 34 -.6837 999.9900 999.9900 999.9900 -1.3426 -1.0131 .4443 .5733 .5195 -.2522 35 PRO 35 -.4724 999.9900 999.9900 999.9900 -.1935 -.3329 .3988 .5352 .4784 .0670 36 PHE 36 -1.3242 .8396 999.9900 999.9900 .2172 -.0891 .2729 .5804 .4523 .1172 37 PRO 37 -2.4417 999.9900 999.9900 999.9900 -.4005 -1.4211 -.3040 .6722 .2654 -.6185 38 ILE 38 -1.4952 -.0177 999.9900 999.9900 -.1449 -.5526 .3148 .5221 .4357 -.1642 39 THR 39 .3976 999.9900 -.8810 999.9900 .6112 .0426 -.2115 .5903 .2562 .1013 40 VAL 40 .0764 999.9900 -1.0788 999.9900 -.5257 -.5093 -.3379 .1017 -.0815 -.3528 41 ASP 41 -.4836 -.7868 999.9900 999.9900 .6310 -.2131 .0889 .5761 .3731 .0051 42 LEU 42 .1006 .8847 999.9900 999.9900 .2381 .4078 .0027 .6527 .3819 .3758 43 LEU 43 -.1196 -1.6462 999.9900 999.9900 .6708 -.3650 -.3065 .5331 .1833 -.1737 44 ASP 44 -.8144 -1.4542 999.9900 999.9900 -1.3622 -1.2103 .3607 .5046 .4446 -.5531 45 TYR 45 .6101 .2884 999.9900 999.9900 .5127 .4704 .5476 .2207 .3569 .4359 46 SER 46 .4341 999.9900 -.7153 999.9900 -.7427 -.3413 .4851 .5876 .5449 .0097 47 GLY 47 -.2271 999.9900 999.9900 999.9900 .3016 .0372 .4109 .3897 .3991 .2188 48 ARG 48 -.4155 .7037 999.9900 .1593 -.0022 .1209 .4913 .3502 .4090 .2066 49 SER 49 .0184 999.9900 -.0289 999.9900 -.8619 -.2908 .3691 .6039 .5061 .0201 50 TRP 50 -.1712 -.2441 999.9900 999.9900 -.4740 -.2964 -.1592 .3545 .1405 -.1388 51 THR 51 -.5830 999.9900 .4804 999.9900 -1.0006 -.3677 -.8049 .3933 -.1060 -.3030 52 VAL 52 -1.4030 999.9900 .5873 999.9900 .8778 .0207 -.2697 .3661 .1011 .0317 53 ARG 53 -.4945 .8761 999.9900 .5548 -1.3564 .0270 .2891 .3438 .3210 .1097 54 MET 54 -.3206 .5321 999.9900 .9587 -1.9874 -.2043 .4100 .5553 .4948 .0247 55 LYS 55 -.1715 1.1634 999.9900 .6177 -.2082 .4038 .1746 .6215 .4353 .4022 56 LYS 56 -.3543 .3679 999.9900 -.4035 .5595 -.0468 -.5755 .1743 -.1381 -.0907 57 ARG 57 -2.0927 .8024 999.9900 .1593 -.2445 -.2433 .3772 .3958 .3880 -.0633 58 GLY 58 -3.4864 999.9900 999.9900 999.9900 -.7584 -2.1224 -.2956 .2628 .0146 -1.0694 59 GLU 59 -.6897 .6231 999.9900 -1.0323 -2.5035 -.9006 .3720 .3146 .3385 -.4860 60 LYS 60 -.6439 -.0529 999.9900 .2868 .2547 .0263 .1202 .2120 .1738 .0662 61 VAL 61 -.0463 999.9900 .2799 999.9900 -.1376 .0320 -.0503 .5141 .2790 .1120 62 PHE 62 -.0244 .8160 999.9900 999.9900 -1.5955 -.2680 -.6179 .2222 -.1279 -.2399 63 LEU 63 -.7582 -1.4996 999.9900 999.9900 -1.8015 -1.3531 -.6018 -.6996 -.6588 -1.0721 64 THR 64 -4.2065 999.9900 .7650 999.9900 -1.6680 -1.7032 .2759 .1612 .2090 -.9345 65 VAL 65 -1.1433 999.9900 -1.0788 999.9900 -2.9040 -1.7087 -.2708 .3176 .0724 -1.0159 66 GLY 66 -2.0431 999.9900 999.9900 999.9900 -1.5458 -1.7945 .0517 .1656 .1150 -.8429 67 TRP 67 .4280 -.3018 999.9900 999.9900 1.1998 .4420 .3576 .2052 .2687 .3778 68 GLU 68 .8604 .6046 999.9900 -1.0323 .6899 .2806 .4143 .2392 .3122 .2960 69 ASN 69 1.3908 1.0524 999.9900 999.9900 .5940 1.0124 -.6741 .6195 .0805 .5965 70 PHE 70 .6259 .8308 999.9900 999.9900 .7573 .7380 .2513 .6130 .4623 .6157 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .5776 .1817 .3668 .4479 .4141 .2720 72 LYS 72 .8536 -2.1617 999.9900 .6906 .6805 .1507 -.0479 -.6233 -.3835 .0118 73 ASP 73 .2706 -.6186 999.9900 999.9900 .1786 -.0565 -.1175 .0053 -.0458 -.0563 74 ASN 74 -.1320 -.5828 999.9900 999.9900 .6279 -.0290 .5981 .5348 .5612 .2092 75 ASN 75 -2.3558 .1037 999.9900 999.9900 .4442 -.6026 .3257 .2324 .2713 -.2500 76 LEU 76 -.3571 .8710 999.9900 999.9900 -1.2350 -.2404 -.3850 .5311 .1494 -.1150 77 GLU 77 -1.1499 -.9977 999.9900 -1.0323 .0339 -.7865 -.3880 -.2106 -.2845 -.6241 78 ASP 78 -.2149 -1.7735 999.9900 999.9900 -.3974 -.7953 -.2364 .4520 .1652 -.4340 79 GLY 79 -1.9441 999.9900 999.9900 999.9900 -1.1231 -1.5336 -.0286 .3114 .1603 -.6961 80 LYS 80 -.3811 .7299 999.9900 .7184 .1791 .3930 -.1133 .4661 .2247 .3311 81 TYR 81 .6005 -.0856 999.9900 999.9900 .2769 .2639 -.5749 .5110 .0585 .1456 82 LEU 82 -.1655 -1.4996 999.9900 999.9900 .4227 -.4141 -.2833 .4481 .1433 -.2155 83 GLN 83 -.1966 .4660 999.9900 2.7911 .6605 .9303 -.4999 .3408 -.0095 .5937 84 PHE 84 .0058 .1033 999.9900 999.9900 .2172 .1088 -.1713 .6342 .2985 .1578 85 ILE 85 -.0022 .6227 999.9900 999.9900 -.7199 -.0331 .1954 .5269 .3888 .1246 86 TYR 86 -.0287 -.3674 999.9900 999.9900 -1.9776 -.7912 .2560 .3367 .3031 -.3562 87 ASP 87 -1.9072 -1.4542 999.9900 999.9900 -1.3622 -1.5745 .2223 -.6488 -.2859 -1.0300 88 ARG 88 -.7709 -1.8960 999.9900 .5548 .2455 -.2624 .5547 .4531 .4954 -.0434 89 ASP 89 -1.9072 -1.1062 999.9900 999.9900 .6856 -.7759 -1.0942 .0885 -.4043 -.6667 90 ARG 90 -1.7561 -2.8571 999.9900 .7862 .2983 -.5485 -.4144 .1758 -.0701 -.4259 91 THR 91 .1734 999.9900 .6346 999.9900 -.8522 -.0147 -.1588 .2588 .0848 .0112 92 PHE 92 .0629 -.9508 999.9900 999.9900 .5017 -.1287 -.1050 .5901 .3005 .0198 93 TYR 93 .2641 .2322 999.9900 999.9900 .6556 .3840 -.0470 .6651 .3684 .3540 94 VAL 94 .3116 999.9900 -1.0788 999.9900 -.4490 -.4054 -.1404 .6069 .2955 -.1499 95 ILE 95 .3408 .6227 999.9900 999.9900 .2717 .4117 -.1802 .4925 .2122 .3095 96 ILE 96 -.1408 -.1544 999.9900 999.9900 -1.2029 -.4994 -.6799 .6503 .0960 -.3056 97 TYR 97 -.4658 .8463 999.9900 999.9900 .3421 .2408 -.1418 .4921 .2280 .2146 98 GLY 98 -1.0150 999.9900 999.9900 999.9900 .8277 -.0936 -.0561 .6080 .3128 .0911 99 HIS 99 -2.5191 -1.0384 999.9900 999.9900 -.1902 -1.2492 .4096 .4700 .4449 -.5736 100 ASN 100 -1.7258 -1.5725 999.9900 999.9900 .1585 -1.0466 .1213 .4523 .3144 -.5132 101 MET 101 -2.6662 -.1452 999.9900 .9587 .0476 -.4513 .2041 -.0296 .0678 -.2718 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 -.0712 .0762 .0130 .0449 Means: -.4580 -.2308 -.2319 .3642 -.2042 -.2212 .0118 .3839 .2281 -.0608 2.00 refined_11