1 GLU 1 999.9900 -.8834 999.9900 -1.0323 .6899 -.4086 .6706 .5128 .5845 -.0085 2 ALA 2 -1.7252 999.9900 999.9900 999.9900 .7458 -.4897 .6659 .3140 .4606 .0001 3 GLU 3 -2.5676 -1.1358 999.9900 .3501 .6899 -.6659 .6775 .5208 .5861 -.2442 4 VAL 4 -.0951 999.9900 -.0276 999.9900 .7810 .2194 .6604 .1285 .3501 .2894 5 HIS 5 -.2420 .9506 999.9900 999.9900 .6686 .4591 .6721 .3178 .4654 .4734 6 ASN 6 -3.4329 -2.7010 999.9900 999.9900 .7518 -1.7940 .6785 .3835 .5064 -.8640 7 GLN 7 -1.9302 -2.2325 999.9900 1.3059 .5113 -.5864 .6708 .5223 .5841 -.1921 8 LEU 8 .0762 -3.3760 999.9900 999.9900 .9565 -.7811 .6814 .1549 .3743 -.3014 9 GLU 9 -.4857 -2.8418 999.9900 1.1588 .6899 -.3697 .6774 .5179 .5844 -.0473 10 ILE 10 -.1366 .4743 999.9900 999.9900 .6034 .3137 .6530 .0543 .3038 .3297 11 LYS 11 -.1919 -.4196 999.9900 -.4035 .7460 -.1345 .6768 .1578 .3741 .0232 12 PHE 12 .0490 .6915 999.9900 999.9900 .7573 .4993 .6771 .0981 .3393 .4546 13 ARG 13 -.4063 -1.6149 999.9900 .6901 .8581 .0434 .6800 .5213 .5874 .2026 14 LEU 14 -1.2495 -3.3760 999.9900 999.9900 .9565 -1.2230 .6749 .1633 .3765 -.5661 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6619 -.2492 .1304 .0919 16 ASP 16 .0771 -1.2611 999.9900 999.9900 .8104 -.1246 .6764 .3853 .5066 .1376 17 GLY 17 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5947 .4856 .5341 .7250 18 SER 18 .2494 999.9900 -.7153 999.9900 .6705 .0682 .6792 .5324 .5936 .2832 19 ASP 19 -.9509 -2.0928 999.9900 999.9900 .8104 -.7444 .6751 .3769 .5011 -.2363 20 ILE 20 -.2252 -3.0500 999.9900 999.9900 .6034 -.8906 .6581 .0581 .3081 -.3911 21 GLY 21 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .3377 .4709 .4117 .0169 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5524 -.3596 .0204 .2542 23 LYS 23 -.3414 -2.9005 999.9900 -.4035 .7460 -.6606 .6752 .1539 .3711 -.3534 24 ALA 24 -.7791 999.9900 999.9900 999.9900 .7458 -.0166 .6665 .3223 .4657 .2389 25 PHE 25 -.4973 .0765 999.9900 999.9900 .7573 .1122 .4899 .0962 .2602 .1845 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5506 -.3489 .0259 .2678 27 ASP 27 .2994 -2.8653 999.9900 999.9900 .8104 -.5852 .6831 .3914 .5129 -.1362 28 ALA 28 -.8750 999.9900 999.9900 999.9900 .7458 -.0646 .6592 .3217 .4623 .2129 29 THR 29 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6618 -.2576 .1254 -.0506 30 THR 30 -.2075 999.9900 -.2947 999.9900 .4476 -.0182 .6569 -.2574 .1235 .0690 31 VAL 31 -1.6906 999.9900 .5873 999.9900 .7810 -.1074 .6546 .1138 .3391 .0892 32 SER 32 1.0911 999.9900 .3727 999.9900 .6705 .7114 .6810 .5251 .5900 .6681 33 ALA 33 -.5981 999.9900 999.9900 999.9900 .7458 .0739 .6683 .3183 .4641 .2836 34 LEU 34 .8786 -3.3760 999.9900 999.9900 .9565 -.5136 .6737 .1545 .3708 -.1425 35 LYS 35 .6751 -1.0359 999.9900 -.4035 .7460 -.0844 .6784 .1609 .3765 .0596 36 GLU 36 .8733 -.8493 999.9900 -1.0323 .6899 -.0796 .6772 .5177 .5842 .1461 37 THR 37 .8703 999.9900 -.8810 999.9900 .4476 .1456 .6566 -.2598 .1220 .1667 38 VAL 38 .1911 999.9900 -1.0788 999.9900 .7810 -.0355 .6518 .1269 .3456 .1344 39 ILE 39 1.0115 -.2247 999.9900 999.9900 .6034 .4634 .6565 .0420 .2981 .4177 40 SER 40 .8651 999.9900 -.0289 999.9900 .6705 .5023 .6789 .5363 .5957 .5444 41 GLU 41 .8171 -1.0407 999.9900 -1.0323 .6899 -.1415 .6777 .5166 .5837 .1047 42 TRP 42 -.2452 -1.3095 999.9900 999.9900 .9378 -.2057 .4883 .1848 .3112 .0112 43 PRO 43 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5423 -.3661 .0124 .1595 44 ARG 44 .2784 -1.6149 999.9900 .1593 .8581 -.0319 .6802 .5196 .5865 .1486 45 GLU 45 -.1289 -2.3808 999.9900 -1.0323 .6899 -.7130 .6757 .5191 .5843 -.2762 46 LYS 46 -2.5748 -2.4344 999.9900 -.4035 .7460 -1.0140 .6821 .1490 .3711 -.6056 47 GLU 47 -3.2255 -.2011 999.9900 -1.0323 .6899 -.9423 .6728 .5189 .5830 -.4296 48 ASN 48 -2.3558 .0835 999.9900 999.9900 .7518 -.5068 .6745 .3825 .5042 -.0927 49 GLY 49 -1.8567 999.9900 999.9900 999.9900 .7883 -.5342 .3422 .4737 .4152 -.0631 50 PRO 50 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5501 -.3872 .0033 .0790 51 LYS 51 -3.5196 -.4366 999.9900 -.0770 .7460 -.6728 .6788 .1589 .3755 -.3609 52 THR 52 -.4146 999.9900 .0483 999.9900 .4476 .0271 .6595 -.2641 .1207 .0953 53 VAL 53 .5660 999.9900 -.2457 999.9900 .7810 .3671 .6604 .1210 .3457 .3765 54 LYS 54 .0195 -.4030 999.9900 -.4035 .7460 -.0889 .6723 .1531 .3695 .0544 55 GLU 55 -.6559 -.2011 999.9900 -1.0323 .6899 -.2999 .6747 .5163 .5823 -.0014 56 VAL 56 .2313 999.9900 .9747 999.9900 .7810 .6623 .6639 .1203 .3468 .5542 57 LYS 57 -.3286 -2.1617 999.9900 -.0770 .7460 -.3797 .6794 .1546 .3733 -.1520 58 LEU 58 .0986 -2.9612 999.9900 999.9900 .9565 -.6354 .6793 .1616 .3773 -.2130 59 ILE 59 .2866 .9074 999.9900 999.9900 .6034 .5991 .6599 .0415 .2992 .4998 60 SER 60 -1.1635 999.9900 -.7153 999.9900 .6705 -.4028 .6773 .5298 .5913 -.0002 61 ALA 61 -1.8459 999.9900 999.9900 999.9900 .7458 -.5501 .6694 .3269 .4696 -.0260 62 GLY 62 -.0001 999.9900 999.9900 999.9900 .7883 .3941 .5905 .4686 .5228 .4618 63 LYS 63 -.3099 -1.5918 999.9900 -.4035 .7460 -.3926 .6815 .1590 .3767 -.1603 64 VAL 64 -.4485 999.9900 .4980 999.9900 .7810 .2769 .6584 .1226 .3459 .3223 65 LEU 65 -.4371 -.6635 999.9900 999.9900 .9565 -.0480 .6752 .1598 .3745 .1382 66 GLU 66 -1.9096 -1.6501 999.9900 -1.0323 .6899 -.9755 .6763 .5181 .5840 -.4513 67 ASN 67 .1528 -1.1653 999.9900 999.9900 .7518 -.0869 .6773 .3865 .5077 .1606 68 SER 68 -.3100 999.9900 -.7153 999.9900 .6705 -.1183 .6775 .5340 .5938 .1713 69 LYS 69 -.8010 1.0562 999.9900 -.4035 .7460 .0388 .6782 .1607 .3763 .1476 70 THR 70 -.4146 999.9900 -.8810 999.9900 .4476 -.2827 .6587 -.2772 .1128 -.0933 71 VAL 71 .3707 999.9900 -.5532 999.9900 .7810 .1995 .6622 .1171 .3442 .2756 72 LYS 72 .6780 .7020 999.9900 -.4035 .7460 .2638 .6793 .1565 .3743 .3078 73 ASP 73 .6418 -1.4116 999.9900 999.9900 .8104 .0136 .6776 .3774 .5025 .2191 74 TYR 74 -1.0804 -3.5861 999.9900 999.9900 .5630 -1.3678 .6821 -.1698 .1851 -.7183 75 ARG 75 -2.9267 -1.4154 999.9900 .1593 .8581 -.6331 .6681 .5136 .5780 -.2834 76 SER 76 .2908 999.9900 -.7153 999.9900 .6705 .0820 .4918 .5380 .5188 .2552 77 PRO 77 -5.1268 999.9900 999.9900 999.9900 .4496 -2.3386 .5424 -.3690 .0107 -1.1259 78 VAL 78 -1.7692 999.9900 .1416 999.9900 .7810 -.2822 .6508 .1226 .3427 -.0146 79 SER 79 -2.3021 999.9900 -.7153 999.9900 .6705 -.7823 .6811 .5345 .5956 -.2263 80 ASN 80 -.3482 -1.5725 999.9900 999.9900 .7518 -.3896 .6790 .3840 .5069 -.0212 81 LEU 81 -3.7702 -3.3760 999.9900 999.9900 .9565 -2.0632 .6738 .1621 .3753 -1.0708 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6654 .3209 .4644 -.4331 83 GLY 83 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 .5704 .4562 .5070 -.2142 84 ALA 84 -1.1160 999.9900 999.9900 999.9900 .7458 -.1851 .6659 .3144 .4608 .1525 85 VAL 85 -1.1433 999.9900 -1.0788 999.9900 .7810 -.4803 .6619 .1197 .3456 -.1319 86 THR 86 .4171 999.9900 -.8810 999.9900 .4476 -.0055 .6572 -.2587 .1229 .0764 87 THR 87 .0164 999.9900 .4804 999.9900 .4476 .3148 .6527 -.2444 .1294 .2705 88 MET 88 -.3657 -2.0676 999.9900 .9587 .5203 -.2386 .6753 .5146 .5816 .0393 89 HIS 89 -.4125 .0128 999.9900 999.9900 .6686 .0896 .6802 .3225 .4716 .2543 90 VAL 90 .0815 999.9900 .8662 999.9900 .7810 .5762 .6590 .1264 .3483 .5028 91 ILE 91 .4877 -3.0500 999.9900 999.9900 .6034 -.6530 .6536 .0443 .2982 -.2522 92 ILE 92 -.2299 -.5232 999.9900 999.9900 .6034 -.0499 .6569 .0466 .3009 .1107 93 GLN 93 -1.2769 -2.6982 999.9900 1.3059 .5113 -.5395 .6765 .5186 .5844 -.1605 94 ALA 94 -.6837 999.9900 999.9900 999.9900 .7458 .0311 .4713 .3199 .3830 .2133 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5361 -.3918 -.0052 .0743 96 VAL 96 -3.8060 999.9900 -1.0788 999.9900 .7810 -1.3679 .6627 .1256 .3494 -.6631 97 THR 97 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6644 -.2576 .1265 -.1671 98 GLU 98 -2.8104 .3748 999.9900 -1.0323 .6899 -.6945 .6788 .5311 .5927 -.2613 99 LYS 99 -3.0472 -.1141 999.9900 -.4035 .7460 -.6445 .6812 .1606 .3775 -.3401 100 GLU 100 -.6163 -1.7714 999.9900 .3501 .6899 -.3369 .6783 .5345 .5944 -.0225 101 LYS 101 999.9900 -.5490 999.9900 -.4035 999.9900 -.4520 .6780 -.0263 .2756 -.1409 Means: -.6943 -1.3320 -.3437 -.2089 .6979 -.2790 .6482 .2060 .3909 -.0080 2.00 analyzed_18