1 GLU 1 999.9900 -1.4588 999.9900 -1.0323 .6899 -.6004 .6695 .5030 .5787 -.1257 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6670 .3245 .4672 -.4318 3 GLU 3 -3.2255 -.6022 999.9900 -1.0323 .6899 -1.0425 .6738 .5275 .5884 -.4948 4 VAL 4 -2.7360 999.9900 -1.0788 999.9900 .7810 -1.0113 .6565 .1271 .3477 -.4500 5 HIS 5 825.6309 -1.5062 999.9900 999.9900 .6686 274.9311 .6781 .3315 .4759 165.1606 6 ASN 6 -3.4329 -1.7113 999.9900 999.9900 .7518 -1.4641 .6797 .3905 .5110 -.6644 7 GLN 7 -1.5899 -1.3908 999.9900 1.3059 .5113 -.2909 .6811 .5277 .5916 .0075 8 LEU 8 -.0766 -3.3760 999.9900 999.9900 .9565 -.8320 .6773 .1504 .3699 -.3337 9 GLU 9 -.4497 -2.8418 999.9900 .3501 .6899 -.5629 .6759 .5229 .5866 -.1755 10 ILE 10 -.1366 -.3653 999.9900 999.9900 .6034 .0338 .6580 .0420 .2986 .1603 11 LYS 11 -.2799 -2.9005 999.9900 -.4035 .7460 -.6483 .6760 .1520 .3704 -.3448 12 PHE 12 .0966 .5510 999.9900 999.9900 .7573 .4683 .6791 .0921 .3367 .4352 13 ARG 13 -.4343 -1.7413 999.9900 .1593 .8581 -.1998 .6752 .5208 .5851 .0282 14 LEU 14 -1.7747 -2.9612 999.9900 999.9900 .9565 -1.2598 .6697 .1477 .3652 -.5924 15 THR 15 .7717 999.9900 -.8810 999.9900 .4476 .1128 .6542 -.2608 .1205 .1463 16 ASP 16 .0771 -2.8653 999.9900 999.9900 .8104 -.6593 .6812 .3852 .5085 -.1823 17 GLY 17 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5784 .4682 .5172 .7166 18 SER 18 .2494 999.9900 -.7153 999.9900 .6705 .0682 .6784 .5383 .5967 .2843 19 ASP 19 -.9509 -2.0001 999.9900 999.9900 .8104 -.7135 .6754 .3828 .5048 -.2165 20 ILE 20 -.2252 -3.0500 999.9900 999.9900 .6034 -.8906 .6567 .0365 .2949 -.3957 21 GLY 21 -2.0431 999.9900 999.9900 999.9900 .7883 -.6274 .3394 .4777 .4162 -.1095 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5420 -.3458 .0241 .2551 23 LYS 23 -.3414 -2.9005 999.9900 -.4035 .7460 -.6606 .6708 .1541 .3694 -.3540 24 ALA 24 -.7587 999.9900 999.9900 999.9900 .7458 -.0064 .6674 .3245 .4674 .2448 25 PHE 25 -.0244 -.4548 999.9900 999.9900 .7573 .0927 .5016 .0977 .2660 .1755 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5580 -.3684 .0176 .2647 27 ASP 27 .2994 -2.8653 999.9900 999.9900 .8104 -.5852 .6815 .3842 .5081 -.1380 28 ALA 28 -.8750 999.9900 999.9900 999.9900 .7458 -.0646 .6605 .3183 .4609 .2124 29 THR 29 -.3846 999.9900 -.8810 999.9900 .4476 -.2727 .6632 -.2631 .1229 -.0836 30 THR 30 -.2075 999.9900 -.2947 999.9900 .4476 -.0182 .6534 -.2593 .1210 .0679 31 VAL 31 -.8511 999.9900 .8662 999.9900 .7810 .2654 .6592 .1225 .3462 .3156 32 SER 32 .7360 999.9900 -.7153 999.9900 .6705 .2304 .6739 .5301 .5900 .3790 33 ALA 33 .8001 999.9900 999.9900 999.9900 .7458 .7729 .6666 .3234 .4664 .6340 34 LEU 34 .8786 -3.3760 999.9900 999.9900 .9565 -.5136 .6734 .1561 .3716 -.1423 35 LYS 35 .8536 -1.5020 999.9900 -.4035 .7460 -.1419 .6771 .1489 .3690 .0167 36 GLU 36 .6116 -1.4588 999.9900 .3501 .6899 .0482 .6814 .5166 .5853 .2318 37 THR 37 .7219 999.9900 -.8810 999.9900 .4476 .0962 .6573 -.2776 .1119 .1336 38 VAL 38 1.0462 999.9900 -1.0788 999.9900 .7810 .2495 .6579 .1215 .3450 .3056 39 ILE 39 .2963 .4743 999.9900 999.9900 .6034 .4580 .6549 .0466 .3000 .4151 40 SER 40 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6814 .5289 .5924 .4083 41 GLU 41 .1025 -1.4588 999.9900 -1.0323 .6899 -.4247 .6762 .5101 .5793 -.0854 42 TRP 42 .1017 -.1373 999.9900 999.9900 .9378 .3007 .5022 .1865 .3181 .3182 43 PRO 43 -.5949 999.9900 999.9900 999.9900 .4496 -.0726 .5507 -.3725 .0121 .0082 44 ARG 44 .2784 -2.8571 999.9900 .1593 .8581 -.2804 .6809 .5265 .5909 -.0278 45 GLU 45 .0765 -.7281 999.9900 -1.0323 .6899 -.2485 .6792 .5294 .5919 .0358 46 LYS 46 -3.5196 -1.4228 999.9900 -.0770 .7460 -.8701 .6837 .1558 .3758 -.5016 47 GLU 47 -1.1136 -2.1111 999.9900 -1.0323 .6899 -.8918 .6766 .5300 .5911 -.3934 48 ASN 48 .0003 -1.7113 999.9900 999.9900 .7518 -.3197 .6787 .3942 .5127 .0227 49 GLY 49 -.8082 999.9900 999.9900 999.9900 .7883 -.0100 .3687 .4776 .4292 .2066 50 PRO 50 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5361 -.3637 .0112 .0814 51 LYS 51 -3.5196 -1.5020 999.9900 -.4035 .7460 -1.0165 .6760 .1618 .3760 -.6064 52 THR 52 -.4146 999.9900 -.8810 999.9900 .4476 -.2827 .6604 -.2590 .1241 -.0893 53 VAL 53 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6564 .1146 .3403 .2913 54 LYS 54 -.4018 -1.9682 999.9900 -.0397 .7460 -.3407 .6797 .1490 .3701 -.1250 55 GLU 55 -.5648 -1.9198 999.9900 -1.0323 .6899 -.7067 .6831 .5191 .5874 -.2708 56 VAL 56 .0429 999.9900 -1.0788 999.9900 .7810 -.0849 .6584 .1206 .3447 .1048 57 LYS 57 -.2512 -2.1617 999.9900 .9771 .7460 .0575 .6694 .1562 .3700 .1590 58 LEU 58 -.0536 -2.4128 999.9900 999.9900 .9565 -.5033 .6780 .1568 .3740 -.1350 59 ILE 59 -.1241 .0348 999.9900 999.9900 .6034 .1713 .6579 .0377 .2961 .2419 60 SER 60 -1.2119 999.9900 -.7153 999.9900 .6705 -.4189 .6776 .5318 .5925 -.0095 61 ALA 61 -2.2766 999.9900 999.9900 999.9900 .7458 -.7654 .6646 .3148 .4605 -.1378 62 GLY 62 .6407 999.9900 999.9900 999.9900 .7883 .7145 .5737 .4747 .5187 .6193 63 LYS 63 -.2023 -1.2293 999.9900 .8261 .7460 .1933 .6708 .1574 .3713 .2564 64 VAL 64 -.5725 999.9900 .7395 999.9900 .7810 .3160 .6596 .1279 .3495 .3471 65 LEU 65 -.2022 -2.4128 999.9900 999.9900 .9565 -.5528 .6782 .1664 .3797 -.1628 66 GLU 66 -.9870 -1.5476 999.9900 -1.0323 .6899 -.7193 .6683 .5265 .5856 -.2804 67 ASN 67 .6639 .7863 999.9900 999.9900 .7518 .7340 .6746 .3833 .5046 .6520 68 SER 68 .1178 999.9900 -.7153 999.9900 .6705 .0243 .6739 .5268 .5881 .2547 69 LYS 69 -.8956 -.8858 999.9900 .4405 .7460 -.0309 .6797 .1545 .3733 .0971 70 THR 70 -.3846 999.9900 -.8810 999.9900 .4476 -.2727 .6544 -.2562 .1232 -.0840 71 VAL 71 .3707 999.9900 -1.0788 999.9900 .7810 .0243 .6505 .1188 .3403 .1684 72 LYS 72 .8536 .7020 999.9900 .3240 .7460 .5899 .6778 .1539 .3722 .5402 73 ASP 73 1.1359 -2.6388 999.9900 999.9900 .8104 -.2308 .6772 .3854 .5070 .0740 74 TYR 74 -.0083 -4.1972 999.9900 999.9900 .5630 -1.2142 .6761 -.1853 .1736 -.6304 75 ARG 75 -.4439 -1.2607 999.9900 .1593 .8581 -.1056 .6783 .5187 .5852 .0956 76 SER 76 -.5255 999.9900 -.7153 999.9900 .6705 -.1901 .4977 .5274 .5150 .0910 77 PRO 77 -.5949 999.9900 999.9900 999.9900 .4496 -.0726 .5504 -.3787 .0084 .0066 78 VAL 78 -2.9581 999.9900 -1.0788 999.9900 .7810 -1.0853 .6553 .1241 .3454 -.4953 79 SER 79 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6744 .5391 .5955 -.5182 80 ASN 80 -.9637 -2.0766 999.9900 999.9900 .7518 -.7628 .6720 .3868 .5057 -.2459 81 LEU 81 -3.7702 -2.9612 999.9900 999.9900 .9565 -1.9249 .6743 .1575 .3728 -.9886 82 ALA 82 -3.0686 999.9900 999.9900 999.9900 .7458 -1.1614 .6587 .3149 .4582 -.3373 83 GLY 83 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5801 .4598 .5133 -.4145 84 ALA 84 -.9001 999.9900 999.9900 999.9900 .7458 -.0772 .6654 .3186 .4631 .2074 85 VAL 85 -.7345 999.9900 .8662 999.9900 .7810 .3042 .6551 .1316 .3497 .3399 86 THR 86 .0102 999.9900 -.8810 999.9900 .4476 -.1411 .6561 -.2427 .1318 -.0020 87 THR 87 .1937 999.9900 .6346 999.9900 .4476 .4253 .6613 -.2440 .1332 .3386 88 MET 88 -.1902 .2671 999.9900 .9587 .5203 .3890 .6783 .5213 .5867 .4593 89 HIS 89 -.3228 -2.4183 999.9900 999.9900 .6686 -.6909 .6712 .3338 .4744 -.2135 90 VAL 90 -.0145 999.9900 .4980 999.9900 .7810 .4215 .6608 .1242 .3478 .4099 91 ILE 91 .3408 -2.6526 999.9900 999.9900 .6034 -.5695 .6586 .0503 .3038 -.1999 92 ILE 92 -.1621 -3.0500 999.9900 999.9900 .6034 -.8696 .6534 .0395 .2953 -.3832 93 GLN 93 -1.6601 -1.7668 999.9900 1.3059 .5113 -.4024 .6716 .5206 .5836 -.0696 94 ALA 94 -.9610 999.9900 999.9900 999.9900 .7458 -.1076 .4759 .3221 .3862 .1457 95 PRO 95 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5546 -.3602 .0210 .2659 96 VAL 96 -.9399 999.9900 -1.0788 999.9900 .7810 -.4125 .6638 .1201 .3466 -.0907 97 THR 97 -1.2142 999.9900 -.8810 999.9900 .4476 -.5492 .6567 -.2685 .1170 -.2519 98 GLU 98 -.5648 -.4584 999.9900 -1.0323 .6899 -.3414 .6765 .5159 .5828 -.0289 99 LYS 99 -2.7709 -2.9005 999.9900 -.4035 .7460 -1.1465 .6789 .1465 .3684 -.7010 100 GLU 100 -1.6894 -.2670 999.9900 -1.0323 .6899 -.5747 .6802 .5151 .5839 -.1839 101 LYS 101 999.9900 -1.2879 999.9900 -.0397 999.9900 -.4558 .6828 -.0452 .2668 -.1460 Means: 7.7550 -1.6894 -.5710 -.0745 .6979 2.2336 .6481 .2059 .3908 1.5415 2.00 analyzed_3