1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6764 .5040 .5823 .0222 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6677 .3308 .4712 -.4301 3 ASP 3 -3.3417 .9096 999.9900 999.9900 .8104 -.5406 .6753 .3911 .5095 -.1111 4 THR 4 -.6608 999.9900 -.2947 999.9900 .4476 -.1693 .6578 -.2636 .1203 -.0228 5 GLY 5 -.8286 999.9900 999.9900 999.9900 .7883 -.0201 .5959 .4757 .5291 .2578 6 GLU 6 -3.2255 -.9194 999.9900 -1.0323 .6899 -1.1218 .6770 .5246 .5881 -.5476 7 VAL 7 -.0582 999.9900 -.5532 999.9900 .7810 .0565 .6571 .1250 .3467 .1904 8 GLN 8 -.4306 -1.7668 999.9900 1.3059 .5113 -.0951 .6775 .5316 .5924 .1381 9 PHE 9 -.4296 .7639 999.9900 999.9900 .7573 .3639 .6720 .1160 .3477 .3759 10 MET 10 -.1559 -.4050 999.9900 .9587 .5203 .2295 .6691 .5171 .5804 .3507 11 LYS 11 -.7523 -2.9005 999.9900 -.4035 .7460 -.7428 .4909 .1538 .2943 -.4384 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5487 -.3570 .0204 .2539 13 PHE 13 .0900 -4.3038 999.9900 999.9900 .7573 -1.1522 .6779 .1094 .3463 -.5338 14 ILE 14 -.5593 -1.4972 999.9900 999.9900 .6034 -.4844 .6539 .0486 .3008 -.1501 15 SER 15 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6811 .5332 .5949 .2616 16 GLU 16 .6833 -2.1111 999.9900 -1.0323 .6899 -.4426 .6757 .5233 .5868 -.0952 17 LYS 17 -2.0221 -1.5020 999.9900 -.4035 .7460 -.7170 .6757 .1639 .3771 -.3922 18 SER 18 -.6212 999.9900 .6576 999.9900 .6705 .2356 .6725 .5290 .5888 .3817 19 SER 19 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6779 .5274 .5901 .2639 20 LYS 20 -3.5196 -2.9005 999.9900 .2495 .7460 -1.0350 .6730 .1553 .3710 -.6210 21 SER 21 -.3889 999.9900 -.7153 999.9900 .6705 -.1446 .6812 .5247 .5899 .1544 22 LEU 22 -.3112 -3.3760 999.9900 999.9900 .9565 -.9102 .6797 .1460 .3683 -.3810 23 GLU 23 -.7347 -1.7714 999.9900 -1.0323 .6899 -.7121 .6808 .5212 .5877 -.2744 24 ILE 24 .0813 .0077 999.9900 999.9900 .6034 .2308 .4738 .0478 .2253 .2428 25 PRO 25 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5519 -.3862 .0047 .2474 26 LEU 26 -.5228 -3.3760 999.9900 999.9900 .9565 -.9808 .6798 .1567 .3747 -.4212 27 GLY 27 .0582 999.9900 999.9900 999.9900 .7883 .4232 .5774 .4691 .5172 .4732 28 PHE 28 -.5116 -1.8165 999.9900 999.9900 .7573 -.5236 .6758 .0983 .3389 -.1593 29 ASN 29 1.1272 -2.3357 999.9900 999.9900 .7518 -.1522 .6803 .3833 .5070 .1214 30 GLU 30 .0468 -.9194 999.9900 -1.0323 .6899 -.3038 .6775 .5285 .5906 -.0015 31 TYR 31 .3338 -4.1972 999.9900 999.9900 .5630 -1.1002 .6799 -.1575 .1914 -.5556 32 PHE 32 -3.6149 -.4925 999.9900 999.9900 .7573 -1.1167 .4949 .1010 .2651 -.5508 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5429 -.3563 .0184 .2527 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4801 .3170 .3850 .2749 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5548 -.3768 .0114 .2618 36 PHE 36 -1.5081 -.9090 999.9900 999.9900 .7573 -.5533 .4871 .0982 .2602 -.2149 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5542 -.3426 .0310 .2123 38 ILE 38 -1.3063 -1.6252 999.9900 999.9900 .6034 -.7760 .6545 .0322 .2915 -.3283 39 THR 39 -.5707 999.9900 -.8810 999.9900 .4476 -.3347 .6590 -.2638 .1207 -.1218 40 VAL 40 -.0523 999.9900 -.0276 999.9900 .7810 .2337 .6525 .1170 .3401 .2941 41 ASP 41 -.6569 -2.1980 999.9900 999.9900 .8104 -.6815 .6795 .3743 .5015 -.1981 42 LEU 42 -.2443 .5655 999.9900 999.9900 .9565 .4259 .6783 .1501 .3702 .4212 43 LEU 43 .0762 -2.9612 999.9900 999.9900 .9565 -.6428 .6760 .1478 .3679 -.2209 44 ASP 44 -1.5212 -2.8653 999.9900 999.9900 .8104 -1.1920 .6776 .3721 .4994 -.5053 45 TYR 45 -3.1208 -4.1972 999.9900 999.9900 .5630 -2.2517 .6737 -.1718 .1805 -1.2506 46 SER 46 -2.9368 999.9900 -.0289 999.9900 .6705 -.7650 .6737 .5232 .5859 -.2197 47 GLY 47 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5867 .4791 .5269 -.1510 48 ARG 48 -.5733 -1.1946 999.9900 .7862 .8581 .1325 .6760 .5263 .5886 .2664 49 SER 49 .0374 999.9900 -.7153 999.9900 .6705 -.0025 .6765 .5351 .5940 .2409 50 TRP 50 -.1951 -.6490 999.9900 999.9900 .9378 .0312 .6716 .1785 .3840 .1888 51 THR 51 .1937 999.9900 -.2947 999.9900 .4476 .1155 .6636 -.2601 .1248 .1500 52 VAL 52 -.0145 999.9900 -.5532 999.9900 .7810 .0711 .6594 .1240 .3471 .1994 53 ARG 53 -.5160 -2.3766 999.9900 .6901 .8581 -.1309 .6744 .5202 .5845 .0772 54 MET 54 -.4857 .1642 999.9900 .9587 .5203 .2894 .6785 .5242 .5885 .3934 55 LYS 55 -.3223 -1.8181 999.9900 .1140 .7460 -.2333 .6782 .1700 .3817 -.0455 56 LYS 56 -.3161 -2.4344 999.9900 -.4035 .7460 -.5623 .6735 .1657 .3773 -.2818 57 ARG 57 -1.2223 -1.6149 999.9900 .1593 .8581 -.3321 .6749 .5159 .5822 -.0671 58 GLY 58 -.5278 999.9900 999.9900 999.9900 .7883 .1302 .5827 .4781 .5246 .3303 59 GLU 59 -1.0162 -1.0407 999.9900 .3501 .6899 -.2542 .6756 .5236 .5870 .0304 60 LYS 60 -.4529 -2.9005 999.9900 -.4035 .7460 -.6829 .6779 .1591 .3753 -.3682 61 VAL 61 -.0463 999.9900 .2799 999.9900 .7810 .3382 .6531 .1225 .3436 .3580 62 PHE 62 -.3916 .6915 999.9900 999.9900 .7573 .3524 .6718 .0985 .3374 .3655 63 LEU 63 -.7510 -2.9612 999.9900 999.9900 .9565 -.9186 .6717 .1478 .3661 -.3872 64 THR 64 -4.2065 999.9900 .2916 999.9900 .4476 -1.1558 .6561 -.2555 .1244 -.6133 65 VAL 65 -1.2071 999.9900 -.2457 999.9900 .7810 -.2239 .6657 .1238 .3496 .0235 66 GLY 66 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5708 .4731 .5165 -.1565 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6722 .1972 .3952 -.4542 68 GLU 68 .6116 -1.1358 999.9900 -1.0323 .6899 -.2167 .6771 .5184 .5845 .0548 69 ASN 69 1.3908 .9489 999.9900 999.9900 .7518 1.0305 .6802 .3847 .5078 .8313 70 PHE 70 .8041 -1.6624 999.9900 999.9900 .7573 -.0336 .6789 .0931 .3372 .1342 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6582 .1191 .3437 .2926 72 LYS 72 .6780 -.7632 999.9900 -.4035 .7460 -.0292 .6739 .1410 .3631 .0955 73 ASP 73 1.3227 -2.6388 999.9900 999.9900 .8104 -.1685 .6781 .3768 .5023 .1099 74 ASN 74 .0718 -.3904 999.9900 999.9900 .7518 .1444 .6752 .3760 .5007 .2969 75 ASN 75 -3.4329 -3.3254 999.9900 999.9900 .7518 -2.0021 .6781 .3850 .5071 -.9887 76 LEU 76 -.7230 -1.7966 999.9900 999.9900 .9565 -.5210 .6791 .1581 .3752 -.1452 77 GLU 77 -1.3743 -2.8418 999.9900 -1.0323 .6899 -1.1396 .6811 .5211 .5878 -.5594 78 ASP 78 -1.5212 -1.0518 999.9900 999.9900 .8104 -.5875 .6742 .3751 .4998 -.1426 79 GLY 79 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5784 .4641 .5149 -.2854 80 LYS 80 -.7069 -1.2293 999.9900 .3546 .7460 -.0962 .6746 .1602 .3746 .0506 81 TYR 81 -.3370 -3.5861 999.9900 999.9900 .5630 -1.1200 .6801 -.1748 .1814 -.5710 82 LEU 82 -.6392 -1.4741 999.9900 999.9900 .9565 -.3856 .6751 .1602 .3747 -.0643 83 GLN 83 -.2750 -2.6982 999.9900 1.3059 .5113 -.2890 .6705 .5218 .5837 .0060 84 PHE 84 -.2457 -.1548 999.9900 999.9900 .7573 .1190 .6815 .1031 .3441 .2283 85 ILE 85 .1597 -.6222 999.9900 999.9900 .6034 .0470 .6581 .0376 .2961 .1673 86 TYR 86 .4043 -2.9749 999.9900 999.9900 .5630 -.6692 .6738 -.1698 .1817 -.3008 87 ASP 87 -1.6275 -1.4992 999.9900 999.9900 .8104 -.7721 .6829 .3933 .5140 -.2480 88 ARG 88 -1.4842 -2.3766 999.9900 .1593 .8581 -.5368 .6759 .5170 .5832 -.2130 89 ASP 89 -2.3854 -1.7735 999.9900 999.9900 .8104 -1.1162 .6747 .3780 .5016 -.4592 90 ARG 90 -1.1554 -1.6149 999.9900 .6901 .8581 -.1064 .6830 .5272 .5921 .0969 91 THR 91 .4909 999.9900 -.2947 999.9900 .4476 .2146 .6483 -.2492 .1247 .2086 92 PHE 92 .1032 .0765 999.9900 999.9900 .7573 .3123 .6768 .1029 .3420 .3433 93 TYR 93 -.0287 -.2104 999.9900 999.9900 .5630 .1080 .6813 -.1889 .1737 .1632 94 VAL 94 -.3909 999.9900 1.1539 999.9900 .7810 .5147 .6525 .1172 .3402 .4627 95 ILE 95 -.6753 -2.4201 999.9900 999.9900 .6034 -.8307 .6597 .0463 .3019 -.3572 96 ILE 96 .0813 -2.1272 999.9900 999.9900 .6034 -.4808 .6591 .0380 .2968 -.1491 97 TYR 97 .0017 .8258 999.9900 999.9900 .5630 .4635 .6808 -.1996 .1672 .3743 98 GLY 98 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5773 .4578 .5109 -.0835 99 HIS 99 -.5497 -3.1083 999.9900 999.9900 .6686 -.9965 .6784 .3174 .4678 -.3987 100 ASN 100 -3.4329 -1.7113 999.9900 999.9900 .7518 -1.4641 .6792 .3786 .5038 -.6669 101 MET 101 -2.2339 -2.5481 999.9900 .9587 .5203 -.8258 .6824 .5279 .5923 -.3488 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6762 .2438 .4291 .3499 Means: -.7286 -1.6964 -.2422 .0762 .7095 -.3655 .6522 .2120 .3963 -.0587 2.00 analyzed_13