1 GLU 1 999.9900 -1.7714 999.9900 .3501 .6899 -.2438 .6703 .4959 .5752 .0870 2 ALA 2 -.6292 999.9900 999.9900 999.9900 .7458 .0583 .6720 .3129 .4625 .2754 3 GLU 3 -3.2255 -1.4588 999.9900 -1.0323 .6899 -1.2567 .6760 .5125 .5806 -.6397 4 VAL 4 .0815 999.9900 -1.0788 999.9900 .7810 -.0721 .6587 .1283 .3493 .1141 5 HIS 5 -1.9498 -3.1083 999.9900 999.9900 .6686 -1.4632 .6709 .3166 .4642 -.6804 6 ASN 6 -3.4329 -.2320 999.9900 999.9900 .7518 -.9710 .6759 .3801 .5033 -.3714 7 GLN 7 -3.1236 -1.4944 999.9900 1.3059 .5113 -.7002 .6779 .5316 .5926 -.2652 8 LEU 8 -.0766 -2.9612 999.9900 999.9900 .9565 -.6937 .6750 .1513 .3695 -.2510 9 GLU 9 -.4857 -2.8418 999.9900 -1.0323 .6899 -.9175 .6735 .5270 .5880 -.4116 10 ILE 10 -.1366 .4202 999.9900 999.9900 .6034 .2957 .6540 .0403 .2960 .3163 11 LYS 11 -.3038 -2.9005 999.9900 .1731 .7460 -.4224 .6731 .1541 .3703 -.1836 12 PHE 12 .0900 .5863 999.9900 999.9900 .7573 .4779 .6741 .0957 .3367 .4407 13 ARG 13 -.4343 -.9348 999.9900 .1593 .8581 -.0385 .6789 .5150 .5833 .1431 14 LEU 14 -.6961 -2.3037 999.9900 999.9900 .9565 -.6811 .6810 .1532 .3731 -.2418 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6524 -.2542 .1236 .0890 16 ASP 16 .0771 -2.0928 999.9900 999.9900 .8104 -.4018 .6778 .3740 .5006 -.0307 17 GLY 17 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5787 .4704 .5185 .7172 18 SER 18 .2494 999.9900 -.7153 999.9900 .6705 .0682 .6764 .5279 .5898 .2818 19 ASP 19 -1.3478 -3.1847 999.9900 999.9900 .8104 -1.2407 .6776 .3908 .5103 -.5307 20 ILE 20 .2593 .9074 999.9900 999.9900 .6034 .5900 .6621 .0359 .2968 .4936 21 GLY 21 -1.2645 999.9900 999.9900 999.9900 .7883 -.2381 .3508 .4634 .4133 .0845 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5468 -.3646 .0151 .2516 23 LYS 23 -.3414 -1.8181 999.9900 -.4035 .7460 -.4441 .6817 .1625 .3788 -.1966 24 ALA 24 -.8279 999.9900 999.9900 999.9900 .7458 -.0410 .6664 .3211 .4650 .2264 25 PHE 25 -.4973 -.4548 999.9900 999.9900 .7573 -.0649 .4904 .1150 .2714 .0821 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5546 -.3747 .0125 .2623 27 ASP 27 .2994 -2.0928 999.9900 999.9900 .8104 -.3277 .6755 .3837 .5053 .0152 28 ALA 28 -.5686 999.9900 999.9900 999.9900 .7458 .0886 .6592 .3158 .4589 .2880 29 THR 29 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6597 -.2583 .1242 -.0512 30 THR 30 -.0745 999.9900 .4804 999.9900 .4476 .2845 .6635 -.2476 .1321 .2539 31 VAL 31 -.6460 999.9900 .5873 999.9900 .7810 .2408 .6486 .1179 .3390 .2978 32 SER 32 .9506 999.9900 .6576 999.9900 .6705 .7596 .6761 .5273 .5893 .6964 33 ALA 33 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6700 .3181 .4647 .5959 34 LEU 34 .8786 -3.3760 999.9900 999.9900 .9565 -.5136 .6845 .1608 .3790 -.1391 35 LYS 35 .8536 -2.9005 999.9900 -.0770 .7460 -.2910 .6747 .1439 .3650 -.0909 36 GLU 36 .8733 -1.4588 999.9900 -1.0323 .6899 -.2320 .6832 .5297 .5937 .0475 37 THR 37 .8449 999.9900 -.8810 999.9900 .4476 .1372 .6628 -.2648 .1217 .1619 38 VAL 38 .9834 999.9900 .4980 999.9900 .7810 .7542 .6563 .1161 .3412 .6070 39 ILE 39 1.0115 .8778 999.9900 999.9900 .6034 .8309 .6630 .0428 .3012 .6397 40 SER 40 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6793 .5302 .5924 .4060 41 GLU 41 .4426 -1.2470 999.9900 .3501 .6899 .0589 .6741 .5269 .5882 .2394 42 TRP 42 .1017 -3.3859 999.9900 999.9900 .9378 -.7821 .4899 .1921 .3162 -.3329 43 PRO 43 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .5460 -.3945 -.0026 -.4288 44 ARG 44 -.6927 -1.0788 999.9900 .6901 .8581 .0933 .6736 .5105 .5784 .2358 45 GLU 45 -.1289 -.8493 999.9900 .3501 .6899 .0154 .6794 .5169 .5846 .2097 46 LYS 46 -3.5196 -2.9005 999.9900 -.0770 .7460 -1.1656 .6836 .1547 .3751 -.7128 47 GLU 47 -.3484 -1.9198 999.9900 1.1588 .6899 -.1049 .6716 .5145 .5799 .1278 48 ASN 48 -.6067 .7281 999.9900 999.9900 .7518 .2911 .6771 .3781 .5027 .3857 49 GLY 49 -.2744 999.9900 999.9900 999.9900 .7883 .2569 .3563 .4858 .4282 .3390 50 PRO 50 -2.2417 999.9900 999.9900 999.9900 .4496 -.8960 .5388 -.3880 -.0018 -.4103 51 LYS 51 -3.5196 -1.6955 999.9900 -.4035 .7460 -1.0552 .6816 .1585 .3765 -.6337 52 THR 52 -.3846 999.9900 .2916 999.9900 .4476 .1182 .6622 -.2762 .1148 .1481 53 VAL 53 .5660 999.9900 -1.0788 999.9900 .7810 .0894 .6501 .1167 .3389 .2070 54 LYS 54 .0195 -1.5918 999.9900 .4996 .7460 .0346 .6768 .1621 .3765 .1445 55 GLU 55 -1.0629 -.8493 999.9900 .3501 .6899 -.2181 .6774 .5230 .5873 .0547 56 VAL 56 -.4002 999.9900 1.0696 999.9900 .7810 .4835 .6606 .1207 .3456 .4463 57 LYS 57 -.2512 -1.9682 999.9900 .1140 .7460 -.2491 .6685 .1526 .3676 -.0606 58 LEU 58 -.0766 -2.4128 999.9900 999.9900 .9565 -.5110 .6766 .1593 .3748 -.1394 59 ILE 59 .2866 -2.4201 999.9900 999.9900 .6034 -.5100 .6529 .0453 .2984 -.1664 60 SER 60 -1.2119 999.9900 -.7153 999.9900 .6705 -.4189 .6738 .5213 .5848 -.0123 61 ALA 61 -1.7824 999.9900 999.9900 999.9900 .7458 -.5183 .6660 .3178 .4629 -.0132 62 GLY 62 .6407 999.9900 999.9900 999.9900 .7883 .7145 .5696 .4672 .5127 .6165 63 LYS 63 -.2023 -1.5918 999.9900 -.4035 .7460 -.3710 .6850 .1587 .3780 -.1445 64 VAL 64 -.4192 999.9900 -1.0788 999.9900 .7810 -.2390 .6616 .1138 .3421 .0117 65 LEU 65 -.3112 -1.7966 999.9900 999.9900 .9565 -.3838 .6730 .1523 .3693 -.0652 66 GLU 66 -.7347 -2.3808 999.9900 -1.0323 .6899 -.8645 .6783 .5123 .5815 -.3779 67 ASN 67 .6639 -2.3357 999.9900 999.9900 .7518 -.3067 .6780 .3725 .4998 .0261 68 SER 68 .1178 999.9900 .3727 999.9900 .6705 .3870 .6827 .5321 .5948 .4752 69 LYS 69 -.8956 -1.2293 999.9900 -.4035 .7460 -.4372 .6773 .1400 .3639 -.1955 70 THR 70 -.3846 999.9900 -.8810 999.9900 .4476 -.2727 .6596 -.2698 .1174 -.0857 71 VAL 71 -.2793 999.9900 1.1539 999.9900 .7810 .5519 .6592 .1177 .3434 .4865 72 LYS 72 .9480 -.9566 999.9900 -.4035 .7460 -.0139 .6819 .1632 .3794 .1108 73 ASP 73 .2251 -1.5978 999.9900 999.9900 .8104 -.1874 .6784 .3778 .5031 .0988 74 TYR 74 -1.2852 -4.1972 999.9900 999.9900 .5630 -1.6398 .6769 -.1615 .1878 -.8808 75 ARG 75 -2.9267 -2.8571 999.9900 1.0005 .8581 -.5849 .6760 .5223 .5864 -.2466 76 SER 76 -.6327 999.9900 -.7153 999.9900 .6705 -.2258 .4961 .5255 .5132 .0688 77 PRO 77 -3.8843 999.9900 999.9900 999.9900 .4496 -1.7173 .5453 -.3827 .0039 -.8180 78 VAL 78 -2.5638 999.9900 -1.0788 999.9900 .7810 -.9538 .6611 .1242 .3479 -.4152 79 SER 79 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6771 .5321 .5925 -.5191 80 ASN 80 -3.4329 -1.8756 999.9900 999.9900 .7518 -1.5189 .6751 .3752 .5002 -.7013 81 LEU 81 -3.7702 -3.3760 999.9900 999.9900 .9565 -2.0632 .6794 .1459 .3682 -1.0729 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6674 .3137 .4611 -.4344 83 GLY 83 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5912 .4867 .5332 -.0195 84 ALA 84 -.9610 999.9900 999.9900 999.9900 .7458 -.1076 .6581 .3162 .4587 .1898 85 VAL 85 -.7345 999.9900 -.0276 999.9900 .7810 .0063 .6502 .1257 .3443 .1590 86 THR 86 .0102 999.9900 .6346 999.9900 .4476 .3641 .6622 -.2490 .1307 .3011 87 THR 87 .2184 999.9900 -.8810 999.9900 .4476 -.0717 .6572 -.2414 .1330 .0401 88 MET 88 -.3657 -.3164 999.9900 .9587 .5203 .1992 .6708 .5220 .5840 .3316 89 HIS 89 -.2420 -.5551 999.9900 999.9900 .6686 -.0428 .6736 .3303 .4733 .1751 90 VAL 90 -.3909 999.9900 .7395 999.9900 .7810 .3765 .6627 .1282 .3509 .3841 91 ILE 91 .3543 -3.0500 999.9900 999.9900 .6034 -.6974 .6509 .0378 .2933 -.2807 92 ILE 92 -.0879 -2.2551 999.9900 999.9900 .6034 -.5799 .6611 .0465 .3026 -.2064 93 GLN 93 -1.2769 -2.6982 999.9900 1.3059 .5113 -.5395 .6738 .5205 .5844 -.1606 94 ALA 94 -1.1160 999.9900 999.9900 999.9900 .7458 -.1851 .4747 .3169 .3826 .1053 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5413 -.3619 .0145 .0831 96 VAL 96 -2.8391 999.9900 -1.0788 999.9900 .7810 -1.0456 .6541 .1207 .3429 -.4724 97 THR 97 -.5585 999.9900 -.8810 999.9900 .4476 -.3307 .6607 -.2523 .1282 -.1167 98 GLU 98 -3.2255 -2.8418 999.9900 -1.0323 .6899 -1.6024 .6724 .5254 .5867 -.8687 99 LYS 99 -2.7709 -.9566 999.9900 .4996 .7460 -.3965 .6679 .1540 .3681 -.1658 100 GLU 100 -1.9096 -2.8418 999.9900 -1.0323 .6899 -1.2735 .6694 .5196 .5820 -.6508 101 LYS 101 999.9900 -.9566 999.9900 .7677 999.9900 .1929 .6758 -.0278 .2737 .2453 Means: -.7162 -1.7609 -.2889 .0773 .6979 -.3150 .6479 .2041 .3897 -.0306 2.00 analyzed_12