1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6730 .4972 .5771 .0202 2 ALA 2 -2.6726 999.9900 999.9900 999.9900 .7458 -.9634 .6686 .3175 .4638 -.2352 3 ASP 3 -.4109 -.7502 999.9900 999.9900 .8104 -.1169 .6817 .3821 .5070 .1426 4 THR 4 .0584 999.9900 -.8810 999.9900 .4476 -.1250 .6596 -.2669 .1192 .0035 5 GLY 5 -.2271 999.9900 999.9900 999.9900 .7883 .2806 .5899 .4806 .5292 .4079 6 GLU 6 -3.2255 -2.8418 999.9900 -1.0323 .6899 -1.6024 .6807 .5272 .5911 -.8670 7 VAL 7 .0815 999.9900 -.0276 999.9900 .7810 .2783 .6547 .1273 .3470 .3234 8 GLN 8 -.4791 .4660 999.9900 1.3059 .5113 .4510 .6759 .5228 .5866 .5005 9 PHE 9 .1414 .3192 999.9900 999.9900 .7573 .4060 .6779 .1029 .3425 .3997 10 MET 10 -.3657 -2.0676 999.9900 .9587 .5203 -.2386 .6774 .5192 .5851 .0404 11 LYS 11 -.6340 .7114 999.9900 -.4035 .7460 .0033 .4906 .1555 .2951 .0947 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5265 -.3914 -.0089 .2398 13 PHE 13 -.2457 -.8310 999.9900 999.9900 .7573 -.1064 .6745 .1151 .3482 .0941 14 ILE 14 -.1796 -1.9342 999.9900 999.9900 .6034 -.5035 .6591 .0390 .2974 -.1625 15 SER 15 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6794 .5279 .5910 .2602 16 GLU 16 .8171 -2.3808 999.9900 -1.0323 .6899 -.4765 .6846 .5276 .5930 -.1157 17 LYS 17 -2.0221 -1.3520 999.9900 -.4035 .7460 -.6870 .6786 .1488 .3695 -.3725 18 SER 18 -.1309 999.9900 -.7153 999.9900 .6705 -.0586 .6852 .5351 .5977 .2089 19 SER 19 .6370 999.9900 -.7153 999.9900 .6705 .1974 .6754 .5250 .5877 .3585 20 LYS 20 -2.2985 -.9566 999.9900 .1140 .7460 -.4562 .6815 .1464 .3694 -.2076 21 SER 21 -.3889 999.9900 -.7153 999.9900 .6705 -.1446 .6794 .5305 .5925 .1552 22 LEU 22 -.3112 -2.3037 999.9900 999.9900 .9565 -.5528 .6776 .1576 .3743 -.1646 23 GLU 23 -.5863 -1.4588 999.9900 -1.0323 .6899 -.5969 .6776 .5182 .5846 -.1986 24 ILE 24 .2593 -1.3043 999.9900 999.9900 .6034 -.1472 .4600 .0344 .2117 .0106 25 PRO 25 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5384 -.3594 .0147 .2508 26 LEU 26 .0133 -2.5464 999.9900 999.9900 .9565 -.5255 .6748 .1548 .3715 -.1494 27 GLY 27 -.3460 999.9900 999.9900 999.9900 .7883 .2211 .5883 .4762 .5260 .3767 28 PHE 28 -1.7494 -2.4384 999.9900 999.9900 .7573 -1.1435 .6787 .1085 .3461 -.5286 29 ASN 29 1.1272 -.7732 999.9900 999.9900 .7518 .3686 .6782 .3841 .5066 .4336 30 GLU 30 -.4919 -2.1111 999.9900 .3501 .6899 -.3908 .6791 .5213 .5870 -.0604 31 TYR 31 .6431 -4.1972 999.9900 999.9900 .5630 -.9971 .6800 -.1646 .1873 -.4952 32 PHE 32 -3.6149 -.4925 999.9900 999.9900 .7573 -1.1167 .4911 .1048 .2658 -.5508 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5376 -.3710 .0076 .2477 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4738 .3230 .3858 .2748 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5347 -.3706 .0066 .2584 36 PHE 36 -1.5081 -.9090 999.9900 999.9900 .7573 -.5533 .4931 .1075 .2682 -.2118 37 PRO 37 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5502 -.3592 .0197 .2538 38 ILE 38 .6852 -2.2551 999.9900 999.9900 .6034 -.3222 .6549 .0483 .3010 -.0527 39 THR 39 -.5585 999.9900 -.8810 999.9900 .4476 -.3307 .6562 -.2520 .1264 -.1176 40 VAL 40 -.0145 999.9900 -1.0788 999.9900 .7810 -.1041 .6549 .1227 .3445 .0931 41 ASP 41 -.9509 -1.3712 999.9900 999.9900 .8104 -.5039 .6740 .3857 .5058 -.0904 42 LEU 42 -.4930 .6236 999.9900 999.9900 .9565 .3624 .6814 .1556 .3747 .3848 43 LEU 43 -.1897 -3.3760 999.9900 999.9900 .9565 -.8697 .6716 .1668 .3771 -.3542 44 ASP 44 -1.3478 -.3095 999.9900 999.9900 .8104 -.2823 .6831 .3843 .5088 .0441 45 TYR 45 -3.6999 -2.3638 999.9900 999.9900 .5630 -1.8336 .6790 -.1766 .1799 -.9997 46 SER 46 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6782 .5287 .5910 -.5195 47 GLY 47 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5773 .4758 .5209 -.0790 48 ARG 48 -.6782 -1.6149 999.9900 .1593 .8581 -.2233 .6747 .5121 .5798 .0101 49 SER 49 -1.0548 999.9900 -.7153 999.9900 .6705 -.3665 .6778 .5311 .5922 .0219 50 TRP 50 .0682 -.1373 999.9900 999.9900 .9378 .2896 .6796 .1873 .3924 .3471 51 THR 51 .1937 999.9900 -.8810 999.9900 .4476 -.0799 .6584 -.2558 .1251 .0326 52 VAL 52 -.0582 999.9900 .5873 999.9900 .7810 .4367 .6619 .1121 .3412 .4168 53 ARG 53 -.4063 -1.6149 999.9900 .6901 .8581 .0434 .6772 .5272 .5897 .2031 54 MET 54 -.1902 -1.1990 999.9900 .9587 .5203 .0225 .6783 .5201 .5860 .2147 55 LYS 55 -.6340 -2.1617 999.9900 -.4035 .7460 -.5713 .6760 .1553 .3723 -.2893 56 LYS 56 -.3543 -.9566 999.9900 -.4035 .7460 -.2744 .6771 .1625 .3769 -.0761 57 ARG 57 -1.0405 -1.2607 999.9900 1.0005 .8581 .1116 .6776 .5118 .5809 .2496 58 GLY 58 -.2363 999.9900 999.9900 999.9900 .7883 .2760 .5858 .4732 .5232 .4027 59 GLU 59 -1.0162 -2.8418 999.9900 -1.0323 .6899 -1.0501 .6796 .5199 .5865 -.5002 60 LYS 60 -.1665 -1.4228 999.9900 -.0397 .7460 -.1846 .6815 .1577 .3760 -.0119 61 VAL 61 -.0951 999.9900 1.1129 999.9900 .7810 .5996 .6597 .1357 .3540 .5188 62 PHE 62 -.3916 .3498 999.9900 999.9900 .7573 .2385 .6715 .1120 .3451 .2998 63 LEU 63 -1.0430 -1.3818 999.9900 999.9900 .9565 -.4894 .6771 .1545 .3723 -.1273 64 THR 64 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6622 -.2527 .1285 -.8461 65 VAL 65 -.7790 999.9900 -1.0788 999.9900 .7810 -.3589 .6620 .1249 .3487 -.0580 66 GLY 66 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5889 .4707 .5233 -.1526 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6737 .1914 .3924 -.4551 68 GLU 68 .4426 -2.8418 999.9900 1.1588 .6899 -.1376 .6721 .5196 .5832 .1069 69 ASN 69 1.3908 -.1227 999.9900 999.9900 .7518 .6733 .6764 .3838 .5057 .6160 70 PHE 70 .8041 -2.6964 999.9900 999.9900 .7573 -.3783 .6767 .1068 .3443 -.0703 71 VAL 71 .5660 999.9900 -1.0788 999.9900 .7810 .0894 .6593 .1163 .3426 .2088 72 LYS 72 .8536 -1.1257 999.9900 .2868 .7460 .2095 .6809 .1545 .3739 .2690 73 ASP 73 .2706 -2.6388 999.9900 999.9900 .8104 -.5192 .6748 .3757 .5004 -.1014 74 ASN 74 -.1320 -1.4522 999.9900 999.9900 .7518 -.2775 .6752 .3799 .5030 .0445 75 ASN 75 -2.1824 -.9481 999.9900 999.9900 .7518 -.7929 .6715 .3819 .5026 -.2650 76 LEU 76 -.8032 .8710 999.9900 999.9900 .9565 .3414 .6771 .1725 .3828 .3748 77 GLU 77 -1.3743 -2.1111 999.9900 .3501 .6899 -.6114 .6803 .5200 .5868 -.2075 78 ASP 78 -1.0430 -3.7306 999.9900 999.9900 .8104 -1.3211 .6740 .3780 .5013 -.5822 79 GLY 79 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5845 .4775 .5250 -.0768 80 LYS 80 -.7069 .4914 999.9900 -.4035 .7460 -.0553 .6749 .1594 .3742 .0797 81 TYR 81 -.0710 -.9671 999.9900 999.9900 .5630 -.1584 .6796 -.1808 .1777 .0047 82 LEU 82 -.3571 .5280 999.9900 999.9900 .9565 .3758 .6862 .1442 .3701 .3916 83 GLN 83 -.3535 -2.6982 999.9900 1.3059 .5113 -.3086 .6807 .5273 .5912 -.0044 84 PHE 84 -.2457 -3.3183 999.9900 999.9900 .7573 -.9355 .6737 .0881 .3321 -.4090 85 ILE 85 .2768 .8809 999.9900 999.9900 .6034 .5870 .6508 .0417 .2955 .4907 86 TYR 86 .3981 -.3789 999.9900 999.9900 .5630 .1941 .6740 -.1706 .1813 .2171 87 ASP 87 -2.2314 -.7502 999.9900 999.9900 .8104 -.7237 .6783 .3865 .5081 -.2213 88 ARG 88 -1.7561 -2.8571 999.9900 .1593 .8581 -.6873 .6827 .5247 .5905 -.3184 89 ASP 89 -2.5838 -1.6521 999.9900 999.9900 .8104 -1.1418 .6765 .3805 .5038 -.4737 90 ARG 90 -1.3391 -1.5080 999.9900 .1593 .8581 -.3341 .6795 .5170 .5847 -.0677 91 THR 91 .3017 999.9900 -.8810 999.9900 .4476 -.0439 .6503 -.2511 .1244 .0535 92 PHE 92 .0629 .5510 999.9900 999.9900 .7573 .4571 .6716 .0908 .3328 .4267 93 TYR 93 .2641 -.6481 999.9900 999.9900 .5630 .0597 .6754 -.1871 .1723 .1334 94 VAL 94 -.3909 999.9900 .4980 999.9900 .7810 .2960 .6548 .1149 .3399 .3316 95 ILE 95 -.7007 .9074 999.9900 999.9900 .6034 .2700 .6585 .0556 .3068 .3048 96 ILE 96 .2593 -1.7901 999.9900 999.9900 .6034 -.3092 .6531 .0344 .2922 -.0480 97 TYR 97 -.6832 -.3119 999.9900 999.9900 .5630 -.1441 .6719 -.1813 .1742 .0117 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5788 .4719 .5194 -.4118 99 HIS 99 -2.5191 -2.0147 999.9900 999.9900 .6686 -1.2884 .6805 .3219 .4713 -.5726 100 ASN 100 -2.8943 -1.4522 999.9900 999.9900 .7518 -1.1982 .6770 .3822 .5050 -.5071 101 MET 101 -.2651 -2.5481 999.9900 1.7963 .5203 -.1242 .6821 .5152 .5848 .1168 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6719 .2400 .4251 .3472 Means: -.6661 -1.3871 -.5070 .1548 .7095 -.2874 .6521 .2121 .3963 -.0105 2.00 analyzed_14