1 GLU 1 999.9900 -1.6501 999.9900 -1.0323 .6899 -.6642 .6687 .5085 .5813 -.1631 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6714 .3225 .4679 -.4312 3 GLU 3 -3.2255 -2.1111 999.9900 -1.0323 .6899 -1.4198 .6770 .5250 .5883 -.7462 4 VAL 4 -2.7360 999.9900 -.0276 999.9900 .7810 -.6609 .6568 .1255 .3469 -.2401 5 HIS 5 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6756 .3355 .4772 -.9034 6 ASN 6 -.6706 -3.3254 999.9900 999.9900 .7518 -1.0814 .6776 .3915 .5107 -.4350 7 GLN 7 -1.5899 -1.1512 999.9900 1.3059 .5113 -.2310 .6725 .5224 .5850 .0452 8 LEU 8 -.0766 -2.9612 999.9900 999.9900 .9565 -.6937 .6798 .1710 .3830 -.2461 9 GLU 9 -.4497 -2.8418 999.9900 -1.0323 .6899 -.9085 .6687 .5214 .5828 -.4073 10 ILE 10 -.1366 -.3653 999.9900 999.9900 .6034 .0338 .6547 .0328 .2919 .1578 11 LYS 11 -.3223 -2.4344 999.9900 .3546 .7460 -.2603 .6791 .1587 .3755 -.0662 12 PHE 12 .1032 -.9508 999.9900 999.9900 .7573 -.0301 .6785 .1022 .3424 .1381 13 ARG 13 -.4439 -2.3766 999.9900 .1593 .8581 -.3287 .6783 .5204 .5862 -.0636 14 LEU 14 -.9403 -2.9612 999.9900 999.9900 .9565 -.9816 .6771 .1579 .3742 -.4220 15 THR 15 .8748 999.9900 .0483 999.9900 .4476 .4569 .6556 -.2343 .1365 .3584 16 ASP 16 .0771 -.0958 999.9900 999.9900 .8104 .2639 .6682 .3734 .4962 .3666 17 GLY 17 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5829 .4774 .5243 .7200 18 SER 18 .1093 999.9900 -.7153 999.9900 .6705 .0215 .6744 .5374 .5945 .2553 19 ASP 19 -.9509 -2.0928 999.9900 999.9900 .8104 -.7444 .6795 .3851 .5077 -.2338 20 ILE 20 .2593 .6122 999.9900 999.9900 .6034 .4916 .6606 .0541 .3068 .4379 21 GLY 21 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .3539 .4740 .4206 .0218 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5400 -.3677 .0105 .2491 23 LYS 23 -.3414 -1.9682 999.9900 -.4035 .7460 -.4741 .6805 .1637 .3790 -.2180 24 ALA 24 -.7342 999.9900 999.9900 999.9900 .7458 .0058 .6598 .3044 .4525 .2439 25 PHE 25 -.8057 .0765 999.9900 999.9900 .7573 .0094 .4898 .0904 .2568 .1217 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5501 -.3714 .0125 .2620 27 ASP 27 .2994 -1.0518 999.9900 999.9900 .8104 .0193 .6772 .3898 .5096 .2250 28 ALA 28 -.8750 999.9900 999.9900 999.9900 .7458 -.0646 .6632 .3078 .4559 .2104 29 THR 29 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6586 -.2560 .1251 -.0509 30 THR 30 -.6474 999.9900 -.8810 999.9900 .4476 -.3603 .6544 -.2563 .1232 -.1365 31 VAL 31 -.8511 999.9900 .8662 999.9900 .7810 .2654 .6553 .1205 .3433 .3144 32 SER 32 .8349 999.9900 -.7153 999.9900 .6705 .2633 .6762 .5287 .5901 .3990 33 ALA 33 -.2135 999.9900 999.9900 999.9900 .7458 .2661 .6659 .3107 .4587 .3772 34 LEU 34 .8182 -3.3760 999.9900 999.9900 .9565 -.5337 .6778 .1641 .3782 -.1519 35 LYS 35 1.2214 -.5094 999.9900 -.4035 .7460 .1302 .6776 .1453 .3671 .2106 36 GLU 36 .7157 -1.1891 999.9900 -1.0323 .6899 -.2040 .6793 .5086 .5797 .0620 37 THR 37 .8449 999.9900 -.2947 999.9900 .4476 .3326 .6534 -.2561 .1228 .2790 38 VAL 38 1.0462 999.9900 .6672 999.9900 .7810 .8315 .6630 .1274 .3505 .6570 39 ILE 39 .4667 .2838 999.9900 999.9900 .6034 .4513 .6577 .0433 .2993 .4110 40 SER 40 .8651 999.9900 -.0289 999.9900 .6705 .5023 .6797 .5417 .5992 .5456 41 GLU 41 .0765 -.8493 999.9900 -1.0323 .6899 -.2788 .6795 .5290 .5917 .0155 42 TRP 42 .1017 -3.3859 999.9900 999.9900 .9378 -.7821 .4970 .1941 .3203 -.3310 43 PRO 43 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5385 -.3684 .0094 .2485 44 ARG 44 .2784 -.9796 999.9900 .1593 .8581 .0951 .6821 .5209 .5881 .2398 45 GLU 45 -.6897 -.9977 999.9900 -1.0323 .6899 -.5075 .6724 .5166 .5815 -.1401 46 LYS 46 -3.5196 -2.9005 999.9900 -.4035 .7460 -1.2962 .6785 .1556 .3734 -.8067 47 GLU 47 -2.1524 -.3719 999.9900 -1.0323 .6899 -.7167 .6735 .5310 .5904 -.2770 48 ASN 48 -.9968 -.2320 999.9900 999.9900 .7518 -.1590 .6816 .3818 .5067 .1173 49 GLY 49 -.6468 999.9900 999.9900 999.9900 .7883 .0708 .3527 .4684 .4170 .2406 50 PRO 50 -1.1662 999.9900 999.9900 999.9900 .4496 -.3583 .5331 -.3646 .0095 -.1370 51 LYS 51 -3.5196 .7114 999.9900 -.4035 .7460 -.5738 .6737 .1540 .3705 -.2916 52 THR 52 -.1684 999.9900 .0483 999.9900 .4476 .1091 .6607 -.2630 .1219 .1450 53 VAL 53 .1911 999.9900 -1.0788 999.9900 .7810 -.0355 .6524 .1146 .3387 .1321 54 LYS 54 .0195 -1.8181 999.9900 .1140 .7460 -.1649 .6757 .1474 .3675 -.0002 55 GLU 55 -1.1136 -1.4588 999.9900 3.5600 .6899 .4194 .6827 .5163 .5856 .4794 56 VAL 56 .3758 999.9900 1.1539 999.9900 .7810 .7703 .6606 .1300 .3511 .6203 57 LYS 57 -.2512 -.9951 999.9900 .4778 .7460 .0911 .6809 .1672 .3812 .1862 58 LEU 58 -.0536 -1.4262 999.9900 999.9900 .9565 -.1744 .6747 .1627 .3760 .0628 59 ILE 59 .2593 -3.0500 999.9900 999.9900 .6034 -.7291 .6600 .0412 .2990 -.2972 60 SER 60 -1.2119 999.9900 -.7153 999.9900 .6705 -.4189 .6752 .5344 .5931 -.0094 61 ALA 61 -1.8459 999.9900 999.9900 999.9900 .7458 -.5501 .6621 .3150 .4596 -.0308 62 GLY 62 -.1741 999.9900 999.9900 999.9900 .7883 .3071 .5759 .4694 .5168 .4149 63 LYS 63 -.2345 -2.9005 999.9900 -.0770 .7460 -.5086 .6830 .1610 .3785 -.2427 64 VAL 64 -.3682 999.9900 .7395 999.9900 .7810 .3841 .6604 .1190 .3446 .3864 65 LEU 65 -.2246 -2.9612 999.9900 999.9900 .9565 -.7431 .6726 .1689 .3788 -.2776 66 GLU 66 -.6163 -1.7714 999.9900 -1.0323 .6899 -.6825 .6710 .5189 .5822 -.2567 67 ASN 67 .1528 -1.2512 999.9900 999.9900 .7518 -.1155 .6808 .3919 .5123 .1452 68 SER 68 .1093 999.9900 -.7153 999.9900 .6705 .0215 .6702 .5250 .5855 .2519 69 LYS 69 -1.2016 .0381 999.9900 -.4035 .7460 -.2449 .6791 .1625 .3778 -.0547 70 THR 70 -.4045 999.9900 -.8810 999.9900 .4476 -.2793 .6538 -.2600 .1207 -.0888 71 VAL 71 .7260 999.9900 .3968 999.9900 .7810 .6346 .6632 .1169 .3445 .5368 72 LYS 72 .8536 -.3868 999.9900 .1140 .7460 .2882 .6774 .1460 .3674 .3235 73 ASP 73 .2251 -1.9171 999.9900 999.9900 .8104 -.2939 .6742 .3828 .5042 .0351 74 TYR 74 -1.2400 -4.1972 999.9900 999.9900 .5630 -1.6248 .6781 -.1692 .1839 -.8731 75 ARG 75 -.4155 -2.8571 999.9900 .6901 .8581 -.2069 .6765 .5242 .5876 .0237 76 SER 76 -.1309 999.9900 -.7153 999.9900 .6705 -.0586 .4907 .5358 .5170 .1702 77 PRO 77 -2.2417 999.9900 999.9900 999.9900 .4496 -.8960 .5429 -.3563 .0183 -.4014 78 VAL 78 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .6562 .1244 .3460 -.7716 79 SER 79 .1787 999.9900 -.7153 999.9900 .6705 .0446 .6846 .5364 .5981 .2710 80 ASN 80 -.4415 -1.5725 999.9900 999.9900 .7518 -.4207 .6780 .3786 .5034 -.0411 81 LEU 81 -3.7702 -3.3760 999.9900 999.9900 .9565 -2.0632 .6798 .1702 .3826 -1.0679 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6673 .3265 .4685 -.4312 83 GLY 83 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 .5828 .4785 .5249 -.2055 84 ALA 84 -1.0292 999.9900 999.9900 999.9900 .7458 -.1417 .6691 .3330 .4730 .1797 85 VAL 85 -.6656 999.9900 -.0276 999.9900 .7810 .0293 .6508 .1245 .3438 .1726 86 THR 86 .1734 999.9900 .4804 999.9900 .4476 .3671 .6542 -.2587 .1217 .2994 87 THR 87 .4171 999.9900 .2916 999.9900 .4476 .3854 .6547 -.2500 .1269 .3122 88 MET 88 -.2651 -1.7864 999.9900 .9587 .5203 -.1431 .6743 .5119 .5796 .1023 89 HIS 89 -.4125 1.3372 999.9900 999.9900 .6686 .5311 .6782 .3143 .4660 .5172 90 VAL 90 -.9687 999.9900 .3968 999.9900 .7810 .0697 .6625 .1222 .3473 .1988 91 ILE 91 .3408 -3.0500 999.9900 999.9900 .6034 -.7019 .6588 .0363 .2957 -.2821 92 ILE 92 -.0879 -2.2551 999.9900 999.9900 .6034 -.5799 .6539 .0450 .2987 -.2081 93 GLN 93 -1.2769 -1.3908 999.9900 1.3059 .5113 -.2126 .6803 .5312 .5933 .0602 94 ALA 94 -.9610 999.9900 999.9900 999.9900 .7458 -.1076 .4804 .3130 .3827 .1445 95 PRO 95 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5480 -.3775 .0081 .2020 96 VAL 96 -2.0685 999.9900 .3968 999.9900 .7810 -.2969 .6567 .1315 .3503 -.0205 97 THR 97 -3.0201 999.9900 -.8810 999.9900 .4476 -1.1512 .6558 -.2556 .1242 -.6107 98 GLU 98 -2.8104 -2.8418 999.9900 -1.0323 .6899 -1.4987 .6763 .5288 .5903 -.7983 99 LYS 99 -3.5196 -2.4344 999.9900 -.4035 .7460 -1.2030 .6780 .1468 .3681 -.7415 100 GLU 100 -.6478 -.8493 999.9900 -1.0323 .6899 -.4599 .6800 .5204 .5869 -.1065 101 LYS 101 999.9900 -.3256 999.9900 -.4035 999.9900 -.3776 .6772 -.0453 .2643 -.1002 Means: -.6659 -1.6373 -.1803 -.1104 .6979 -.2951 .6478 .2069 .3912 -.0179 2.00 analyzed_9