1 MET 1 999.9900 .5321 999.9900 .9587 .7725 .7544 .6076 .5265 .5634 .6795 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .0212 -1.7217 .2976 .1710 .2237 -.7437 3 ASP 3 -.1312 -.3515 999.9900 999.9900 .5431 .0202 .1556 .5676 .3959 .1567 4 THR 4 .1579 999.9900 -.8810 999.9900 .5164 -.0689 .4508 .5076 .4839 .1503 5 GLY 5 -3.4864 999.9900 999.9900 999.9900 -.5578 -2.0221 -.2937 .5175 .1570 -.9551 6 GLU 6 -1.0793 .7809 999.9900 -1.0323 .6424 -.1721 .0685 .6006 .3789 -.0032 7 VAL 7 -.0582 999.9900 -.0276 999.9900 .5776 .1639 -.3839 .6003 .1902 .1416 8 GLN 8 -.3854 -.5630 999.9900 1.3059 .7486 .2765 -.7849 .6198 .0345 .1568 9 PHE 9 .2406 .8308 999.9900 999.9900 .2815 .4510 .4752 .6089 .5532 .4874 10 MET 10 -.2922 .5321 999.9900 .9587 -1.9874 -.1972 -.0508 .4174 .2223 -.0704 11 LYS 11 -.6340 .5334 999.9900 -.4035 -2.0338 -.5883 .3674 -.1567 .0617 -.3901 12 PRO 12 .6201 999.9900 999.9900 999.9900 -.1935 .2133 .2134 .5846 .4299 .3062 13 PHE 13 -.0017 .6915 999.9900 999.9900 .5949 .4283 .2911 .6293 .4884 .4410 14 ILE 14 -.3251 -2.2551 999.9900 999.9900 -2.8566 -1.8123 -.4433 .2430 -.0429 -1.1274 15 SER 15 1.1864 999.9900 -.7153 999.9900 .7576 .4095 .3251 .5538 .4585 .4215 16 GLU 16 .4426 1.2631 999.9900 1.7325 -.6780 .6901 .4123 .6193 .5331 .6320 17 LYS 17 -.6960 .1966 999.9900 .1731 -.2082 -.0723 .2688 .0036 .1141 -.0127 18 SER 18 .6980 999.9900 -.0289 999.9900 .0747 .2479 -.4031 .3853 .0568 .1452 19 SER 19 .6980 999.9900 -.0289 999.9900 -.2435 .1419 .6439 .6668 .6573 .3473 20 LYS 20 -2.2985 .6560 999.9900 1.3759 -1.0384 .0142 .2020 .6785 .4799 .1359 21 SER 21 -.2251 999.9900 1.2119 999.9900 .0747 .3538 .2761 .5852 .4564 .3846 22 LEU 22 -.1596 -2.3037 999.9900 999.9900 -.8739 -1.1124 -.3549 .2742 .0121 -.6836 23 GLU 23 -.4325 -.3402 999.9900 .3501 -.4821 -.2262 -.0707 .5424 .2869 -.0722 24 ILE 24 -.2299 -.0177 999.9900 999.9900 .6382 .1302 .5411 .5688 .5572 .3001 25 PRO 25 .6201 999.9900 999.9900 999.9900 -.6674 -.0237 .6372 .5942 .6121 .2960 26 LEU 26 .8475 .8730 999.9900 999.9900 .5787 .7664 .5619 .5758 .5700 .6874 27 GLY 27 .9829 999.9900 999.9900 999.9900 .7883 .8856 .6612 .6644 .6630 .7742 28 PHE 28 -.5116 .4845 999.9900 999.9900 .5495 .1741 .4668 .6131 .5521 .3205 29 ASN 29 .1528 .2165 999.9900 999.9900 .7518 .3737 .1267 .4739 .3293 .3443 30 GLU 30 .0468 .7809 999.9900 -1.0323 .3899 .0463 .0932 .3842 .2629 .1104 31 TYR 31 -.2520 .2322 999.9900 999.9900 .8158 .2654 .6165 .6411 .6308 .4107 32 PHE 32 -.0244 .8190 999.9900 999.9900 .8629 .5525 .6471 .5078 .5658 .5625 33 PRO 33 -.2410 999.9900 999.9900 999.9900 .2426 .0008 .1867 .4704 .3522 .1647 34 ALA 34 .7636 999.9900 999.9900 999.9900 .6227 .6931 -.6179 .1085 -.1942 .2192 35 PRO 35 -.4724 999.9900 999.9900 999.9900 .6931 .1104 .2168 .2407 .2307 .1695 36 PHE 36 -.3673 .0765 999.9900 999.9900 -1.5955 -.6288 .0904 -.0654 -.0005 -.3722 37 PRO 37 -.7236 999.9900 999.9900 999.9900 .2426 -.2405 .3201 .3194 .3197 .0396 38 ILE 38 -1.6819 -.0177 999.9900 999.9900 -.7199 -.8065 -.1201 .2772 .1116 -.4525 39 THR 39 .3976 999.9900 .2916 999.9900 .8957 .5283 -1.0741 .5832 -.1074 .2188 40 VAL 40 -.0523 999.9900 -1.0788 999.9900 -1.5772 -.9027 -.6974 .1196 -.2208 -.6572 41 ASP 41 -.4836 -.7868 999.9900 999.9900 .5733 -.2324 -.0034 .4123 .2391 -.0577 42 LEU 42 -.0536 .3099 999.9900 999.9900 -.4635 -.0691 .2960 .2154 .2490 .0608 43 LEU 43 -1.1256 -1.8410 999.9900 999.9900 -1.0998 -1.3555 .1616 .3754 .2863 -.7059 44 ASP 44 -.9091 -.8657 999.9900 999.9900 .5121 -.4209 .5780 .1143 .3075 -.1141 45 TYR 45 1.0926 .5380 999.9900 999.9900 -.4027 .4093 .4499 .1936 .3004 .3743 46 SER 46 .1178 999.9900 .3727 999.9900 .5740 .3548 .4347 .6040 .5334 .4206 47 GLY 47 .8709 999.9900 999.9900 999.9900 .5069 .6889 .3465 .6869 .5356 .6028 48 ARG 48 -.3884 -.2334 999.9900 .1593 -1.7309 -.4068 .0403 .3428 .2168 -.2358 49 SER 49 -.0741 999.9900 -.0289 999.9900 .3749 .0906 .0246 .5256 .3168 .1644 50 TRP 50 .1337 -1.3095 999.9900 999.9900 -.4740 -.5500 -.7756 .1850 -.2153 -.4481 51 THR 51 -1.0713 999.9900 .0483 999.9900 -1.6680 -.8970 -.1793 .3614 .1361 -.5018 52 VAL 52 -.5494 999.9900 .3968 999.9900 .5258 .1244 -.1654 .2212 .0601 .0858 53 ARG 53 -.4636 1.0858 999.9900 .6901 .9385 .5882 -.3361 .5106 .1578 .4450 54 MET 54 -.3503 .8879 999.9900 .9587 .5203 .5042 .1053 .6507 .4234 .4621 55 LYS 55 -.2978 1.1776 999.9900 .8416 -1.4057 .2314 -.5192 .5082 .0801 .1638 56 LYS 56 -.7069 .0031 999.9900 .7184 .7460 .2958 -2.6203 .2242 -.9610 -.1310 57 ARG 57 -1.1879 1.0644 999.9900 .1593 -2.3710 -.4352 -.5728 .3322 -.0449 -.3452 58 GLY 58 -1.1938 999.9900 999.9900 999.9900 -.2133 -.7036 -1.1375 .3928 -.2873 -.5379 59 GLU 59 -1.0162 1.1195 999.9900 .3501 -1.2865 -.2083 .3200 .6894 .5355 .0294 60 LYS 60 -.3038 -1.0359 999.9900 -.4035 -1.0384 -.6370 .4246 .4797 .4567 -.3258 61 VAL 61 .1037 999.9900 .3968 999.9900 .5258 .3421 .5517 .6953 .6355 .4547 62 PHE 62 -.3916 .8160 999.9900 999.9900 -2.2412 -.6056 .2760 .5249 .4212 -.2032 63 LEU 63 -.7582 -1.4996 999.9900 999.9900 -3.2047 -1.8208 .0797 .0650 .0711 -1.0636 64 THR 64 -4.2065 999.9900 -.2947 999.9900 .6112 -1.2967 -.0470 -.4457 -.2796 -.8766 65 VAL 65 -.6396 999.9900 -1.0788 999.9900 -.4490 -.7225 .5197 .3341 .4114 -.2627 66 GLY 66 -1.1938 999.9900 999.9900 999.9900 -1.7465 -1.4702 .5501 .5150 .5306 -.4688 67 TRP 67 .9492 .5502 999.9900 999.9900 1.1998 .8998 -.3161 .0856 -.0818 .4938 68 GLU 68 .4426 -1.5476 999.9900 -1.0323 -1.0906 -.8070 -.6303 -1.3520 -1.0513 -.8684 69 ASN 69 1.0488 -1.5725 999.9900 999.9900 .0387 -.1617 .0740 .3427 .2307 -.0137 70 PHE 70 .8041 .3192 999.9900 999.9900 .5949 .5727 .3951 .5763 .5008 .5379 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 -.3121 -.1149 .1183 .5377 .3630 .0623 72 LYS 72 .8536 1.0637 999.9900 .3240 -1.6664 .1798 .5891 .3890 .4724 .2682 73 ASP 73 .3915 -.4801 999.9900 999.9900 -.2530 -.1139 .5843 .4067 .4807 .1299 74 ASN 74 .3429 -1.2512 999.9900 999.9900 -.4633 -.4572 -.1393 .2880 .1100 -.2446 75 ASN 75 -2.8943 .1037 999.9900 999.9900 .7518 -.6796 -.7427 .4613 -.0404 -.4640 76 LEU 76 -2.2364 -1.8410 999.9900 999.9900 .7753 -1.1007 -.5713 -.0675 -.2774 -.7882 77 GLU 77 -.6897 .8332 999.9900 -1.0323 -.1867 -.2689 -1.2631 .3941 -.2964 -.3241 78 ASP 78 -.1718 -.9304 999.9900 999.9900 .4469 -.2184 .4111 .4370 .4262 .0386 79 GLY 79 -1.3851 999.9900 999.9900 999.9900 -.5578 -.9714 .0014 .5417 .3016 -.3499 80 LYS 80 -.2400 .9683 999.9900 .4778 -2.0338 -.0700 .2174 .3477 .2934 .0308 81 TYR 81 .4043 .3309 999.9900 999.9900 -.2672 .1560 -.8960 .6017 -.0223 .0347 82 LEU 82 -.1897 -1.9980 999.9900 999.9900 -1.5756 -1.2544 -.5899 .5187 .0568 -.7669 83 GLN 83 -.1966 .0182 999.9900 2.7911 .2680 .7202 -1.7857 -.0232 -.7575 .1787 84 PHE 84 -.0803 .5510 999.9900 999.9900 -.0075 .1544 -1.1768 .5285 -.1821 -.0370 85 ILE 85 -.0022 -.0177 999.9900 999.9900 -1.4322 -.4840 -.4948 .2397 -.0663 -.3414 86 TYR 86 -.0287 .4149 999.9900 999.9900 -.5629 -.0589 .0362 .1650 .1113 .0049 87 ASP 87 .2633 -1.7105 999.9900 999.9900 -.1878 -.5450 .5495 -.0803 .1821 -.2332 88 ARG 88 -1.4318 .8761 999.9900 .1593 .9385 .1403 .5175 .1968 .3304 .2022 89 ASP 89 -2.8635 -.4551 999.9900 999.9900 .1337 -1.0616 -.1629 .4206 .1775 -.5854 90 ARG 90 -2.2658 -.5225 999.9900 1.0005 .2983 -.0978 .3081 .5829 .4684 .0574 91 THR 91 .4548 999.9900 .6346 999.9900 -2.7258 -.5455 .1691 .3372 .2672 -.2260 92 PHE 92 -.0017 .1357 999.9900 999.9900 .3981 .1774 -.3181 -.1000 -.1909 .0228 93 TYR 93 .2641 .5582 999.9900 999.9900 -1.0119 -.0632 .5666 .4132 .4771 .1581 94 VAL 94 .4158 999.9900 -.2457 999.9900 -1.1891 -.3397 .6238 .5428 .5766 .0295 95 ILE 95 .2866 -3.0500 999.9900 999.9900 -1.0155 -1.2597 -.3082 -.1032 -.1886 -.8381 96 ILE 96 .2593 -3.0500 999.9900 999.9900 -1.7278 -1.5062 .0024 .5960 .3487 -.7840 97 TYR 97 -.6832 .8258 999.9900 999.9900 -.5629 -.1401 -.5183 .1385 -.1352 -.1600 98 GLY 98 -1.0990 999.9900 999.9900 999.9900 -.9224 -1.0107 -.1567 .5921 .2593 -.3965 99 HIS 99 -3.0884 1.0771 999.9900 999.9900 -1.6368 -1.2160 -.2060 .1043 -.0250 -.7499 100 ASN 100 -1.0675 -1.0148 999.9900 999.9900 -.5831 -.8885 .3098 .1637 .2246 -.4384 101 MET 101 -1.1708 1.0862 999.9900 .9587 -.1136 .1901 .2992 .2237 .2552 .2139 102 CYS 102 999.9900 999.9900 1.2918 999.9900 999.9900 1.2918 .3628 -.2650 .0041 .4632 Means: -.3898 -.0964 -.0444 .4302 -.3135 -.1871 -.0055 .3585 .2061 -.0471 2.00 refined_18