1 MET 1 999.9900 .3244 999.9900 .9587 .5203 .6011 .6759 .5083 .5845 .5975 2 GLY 2 -1.3851 999.9900 999.9900 999.9900 .7883 -.2984 .5807 .4631 .5154 .1118 3 HIS 3 -.0795 -1.1713 999.9900 999.9900 .6686 -.1941 .6809 .3309 .4767 .0859 4 HIS 4 -.6280 -2.4183 999.9900 999.9900 .6686 -.7926 .6717 .3296 .4721 -.2753 5 HIS 5 -3.0884 -1.3248 999.9900 999.9900 .6686 -1.2482 .6762 .3386 .4793 -.5459 6 HIS 6 -2.5191 -3.1083 999.9900 999.9900 .6686 -1.6529 .6768 .3280 .4733 -.7908 7 HIS 7 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6772 .3381 .4794 -.9025 8 HIS 8 -.5879 -3.1083 999.9900 999.9900 .6686 -1.0092 .6704 .3235 .4681 -.4067 9 LEU 9 -1.7422 -2.4128 999.9900 999.9900 .9565 -1.0662 .6764 .1445 .3661 -.4755 10 GLU 10 -1.4945 -1.9198 999.9900 -1.0323 .6899 -.9392 .6754 .5177 .5834 -.4273 11 MET 11 -2.6662 -2.5481 999.9900 .9587 .5203 -.9338 .6756 .5239 .5871 -.4226 12 ALA 12 -1.6256 999.9900 999.9900 999.9900 .7458 -.4399 .6629 .3264 .4666 .0274 13 SER 13 -2.3021 999.9900 -.7153 999.9900 .6705 -.7823 .6772 .5322 .5926 -.2275 14 GLU 14 -2.3953 -1.7714 999.9900 .3501 .6899 -.7817 .6735 .5186 .5832 -.3224 15 GLU 15 -2.0601 -1.6501 999.9900 -1.0323 .6899 -1.0132 .6769 .5169 .5836 -.4765 16 GLY 16 .9290 999.9900 999.9900 999.9900 .7883 .8586 .5815 .4669 .5179 .6914 17 GLN 17 -.3854 -2.2325 999.9900 2.7911 .5113 .1711 .6764 .5186 .5844 .3132 18 VAL 18 -.0951 999.9900 -1.0788 999.9900 .7810 -.1310 .6586 .1354 .3534 .0802 19 ILE 19 -.2299 .0077 999.9900 999.9900 .6034 .1271 .6498 .0464 .2978 .2155 20 ALA 20 -.7587 999.9900 999.9900 999.9900 .7458 -.0064 .6717 .3146 .4634 .2434 21 CYS 21 -.5218 999.9900 .1296 999.9900 .9108 .1729 .6754 .3185 .4672 .3025 22 HIS 22 -.7145 1.3256 999.9900 999.9900 .6686 .4266 .6732 .3191 .4666 .4544 23 THR 23 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6558 -.2547 .1247 -.1682 24 VAL 24 .3707 999.9900 -1.0788 999.9900 .7810 .0243 .6587 .1279 .3491 .1719 25 GLU 25 .7157 -1.7714 999.9900 -1.0323 .6899 -.3495 .6782 .5197 .5857 -.0334 26 THR 26 1.2375 999.9900 .8779 999.9900 .4476 .8543 .6563 -.2584 .1227 .5922 27 TRP 27 .9545 -1.3095 999.9900 999.9900 .9378 .1943 .6814 .1815 .3898 .2891 28 ASN 28 1.0488 -3.3254 999.9900 999.9900 .7518 -.5083 .6797 .3768 .5030 -.0937 29 GLU 29 .8604 -1.9198 999.9900 -1.0323 .6899 -.3505 .6788 .5184 .5853 -.0341 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6752 .5214 .5855 .1754 31 LEU 31 .8182 -2.3037 999.9900 999.9900 .9565 -.1763 .6775 .1542 .3723 .0606 32 GLN 32 .7451 -2.2325 999.9900 1.3059 .5113 .0824 .6777 .5239 .5880 .2552 33 LYS 33 .8536 -2.1617 999.9900 .7261 .7460 .1780 .6797 .1664 .3803 .2480 34 ALA 34 -.1584 999.9900 999.9900 999.9900 .7458 .2937 .6648 .3257 .4670 .3945 35 ASN 35 .6990 -1.5725 999.9900 999.9900 .7518 -.0406 .6709 .3705 .4957 .1839 36 GLU 36 .1449 -1.9198 999.9900 -1.0323 .6899 -.5293 .6795 .5236 .5885 -.1524 37 SER 37 -.3643 999.9900 -.7153 999.9900 .6705 -.1364 .6814 .5385 .5980 .1622 38 LYS 38 -1.3259 -.9951 999.9900 -.0397 .7460 -.3309 .6669 .1474 .3638 -.1200 39 THR 39 -.6341 999.9900 -.8810 999.9900 .4476 -.3558 .6624 -.2538 .1280 -.1318 40 LEU 40 -.1479 -3.3760 999.9900 999.9900 .9565 -.8558 .6725 .1649 .3764 -.3460 41 VAL 41 .3116 999.9900 -1.0788 999.9900 .7810 .0046 .6629 .1296 .3518 .1613 42 VAL 42 .3758 999.9900 -1.0788 999.9900 .7810 .0260 .6571 .1315 .3505 .1734 43 VAL 43 -.0288 999.9900 .1416 999.9900 .7810 .2980 .6579 .1219 .3452 .3347 44 ASP 44 -.2609 -.1954 999.9900 999.9900 .8104 .1180 .6793 .3875 .5091 .2842 45 PHE 45 -.2560 .0419 999.9900 999.9900 .7573 .1811 .6777 .1098 .3464 .2662 46 THR 46 -.5830 999.9900 -.8810 999.9900 .4476 -.3388 .6564 -.2516 .1267 -.1223 47 ALA 47 -.5406 999.9900 999.9900 999.9900 .7458 .1026 .6697 .3305 .4718 .3014 48 SER 48 .6980 999.9900 -.0289 999.9900 .6705 .4465 .6765 .5347 .5938 .5102 49 TRP 49 -1.3140 -1.6686 999.9900 999.9900 .8342 -.7161 .6799 .1953 .3972 -.2546 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6737 .3187 .4666 -.1550 51 GLY 51 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .3547 .4749 .4215 -.1687 52 PRO 52 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .5398 -.3680 .0102 .0541 53 CYS 53 .4024 -2.0054 999.9900 .2382 .9108 -.1135 .6779 .3188 .4684 .0905 54 ARG 54 .8469 -1.1946 999.9900 .1593 .8581 .1658 .6748 .5253 .5876 .2899 55 PHE 55 -.5261 -.8691 999.9900 999.9900 .7573 -.2126 .6773 .0912 .3354 .0261 56 ILE 56 -1.3063 -1.8577 999.9900 999.9900 .6034 -.8535 .6550 .0460 .2997 -.3719 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4704 .3175 .3812 .4744 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5352 -.3785 .0022 -.1269 59 PHE 59 .4032 -1.6164 999.9900 999.9900 .7573 -.1519 .6767 .1080 .3449 .0658 60 PHE 60 .6090 -.4306 999.9900 999.9900 .7573 .3119 .6733 .1097 .3445 .3437 61 ALA 61 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6634 .3242 .4655 .5958 62 ASP 62 .3270 -1.5978 999.9900 999.9900 .8104 -.1535 .6765 .3764 .5014 .1185 63 LEU 63 .4996 -2.4128 999.9900 999.9900 .9565 -.3189 .6769 .1533 .3715 -.0253 64 ALA 64 .9879 999.9900 999.9900 999.9900 .7458 .8668 .6635 .3234 .4651 .6801 65 LYS 65 .0635 -1.8181 999.9900 .8769 .7460 .1491 .6783 .1600 .3760 .2262 66 LYS 66 1.2214 -1.9682 999.9900 -.4035 .7460 -.1616 .6769 .1524 .3709 .0031 67 LEU 67 .1006 -2.3037 999.9900 999.9900 .9565 -.4155 .4862 .1461 .2878 -.1229 68 PRO 68 -4.5055 999.9900 999.9900 999.9900 .4496 -2.0279 .5415 -.3697 .0100 -.9710 69 ASN 69 -2.3558 -1.1653 999.9900 999.9900 .7518 -.9231 .6724 .3800 .5018 -.3434 70 VAL 70 .3116 999.9900 -1.0788 999.9900 .7810 .0046 .6650 .1299 .3528 .1617 71 LEU 71 -1.0889 -3.3760 999.9900 999.9900 .9565 -1.1695 .6752 .1478 .3676 -.5371 72 PHE 72 .1161 .4802 999.9900 999.9900 .7573 .4512 .6770 .1003 .3406 .4262 73 LEU 73 -.3571 -2.9612 999.9900 999.9900 .9565 -.7873 .6807 .1492 .3706 -.3064 74 LYS 74 -.3161 -1.6955 999.9900 -.4035 .7460 -.4145 .6747 .1558 .3720 -.1774 75 VAL 75 .1158 999.9900 -.2457 999.9900 .7810 .2170 .6627 .1211 .3468 .2870 76 ASP 76 -.2530 -2.6388 999.9900 999.9900 .8104 -.6938 .6779 .3761 .5019 -.2055 77 THR 77 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6555 -.2440 .1308 .0917 78 ASP 78 .8349 -.9083 999.9900 999.9900 .8104 .2457 .6759 .3874 .5076 .3601 79 GLU 79 -2.2616 -1.9198 999.9900 -1.0323 .6899 -1.1310 .6760 .5208 .5855 -.5545 80 LEU 80 -2.4740 -2.5464 999.9900 999.9900 .9565 -1.3546 .6800 .1496 .3706 -.6469 81 LYS 81 .9480 -.8217 999.9900 -.4035 .7460 .0131 .6700 .1577 .3711 .1276 82 SER 82 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6730 .5279 .5884 .4685 83 VAL 83 .2188 999.9900 -1.0788 999.9900 .7810 -.0263 .6598 .1223 .3463 .1407 84 ALA 84 .5799 999.9900 999.9900 999.9900 .7458 .6629 .6726 .3293 .4723 .5819 85 SER 85 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6715 .5300 .5890 .4044 86 ASP 86 .2706 -3.1847 999.9900 999.9900 .8104 -.7012 .6762 .3740 .4999 -.2107 87 TRP 87 -.6038 .9467 999.9900 999.9900 .9378 .4269 .6756 .1923 .3937 .4297 88 ALA 88 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6629 .3269 .4669 -.4323 89 ILE 89 -2.3556 .2838 999.9900 999.9900 .6034 -.4895 .6549 .0534 .3040 -.1520 90 GLN 90 -.8581 -1.7668 999.9900 1.3059 .5113 -.2019 .6798 .5313 .5932 .0672 91 ALA 91 -.7739 999.9900 999.9900 999.9900 .7458 -.0141 .6668 .3154 .4618 .2385 92 MET 92 -.5247 -2.5481 999.9900 .9587 -1.9874 -1.0254 .4836 .5190 .5042 -.5165 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5480 -.3465 .0262 .2677 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6593 -.2594 .1234 .0915 95 PHE 95 -.0168 .0967 999.9900 999.9900 .7573 .2791 .6773 .0991 .3401 .3227 96 MET 96 -.2651 .2906 999.9900 .9587 .5203 .3761 .6793 .5193 .5860 .4505 97 PHE 97 -.2255 -2.8600 999.9900 999.9900 .7573 -.7761 .6810 .1022 .3434 -.3090 98 LEU 98 -1.1512 -3.3760 999.9900 999.9900 .9565 -1.1902 .6794 .1543 .3731 -.5474 99 LYS 99 -.3099 -.2831 999.9900 .4996 .7460 .2304 .6790 .1537 .3726 .2836 100 GLU 100 -1.4621 .5971 999.9900 1.7325 .6899 .3894 .6782 .5194 .5856 .4592 101 GLY 101 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5865 .4645 .5187 .7383 102 LYS 102 -.3543 .7020 999.9900 -.0770 .7460 .1879 .6774 .1534 .3717 .2529 103 ILE 103 -1.3252 .0077 999.9900 999.9900 .6034 -.2380 .6474 .0402 .2932 -.0053 104 LEU 104 -1.6816 -.7315 999.9900 999.9900 .9565 -.4856 .6778 .1492 .3695 -.1259 105 ASP 105 -.6293 -.7152 999.9900 999.9900 .8104 -.1780 .6754 .3990 .5142 .1081 106 LYS 106 -.8267 -.5490 999.9900 -.4035 .7460 -.2873 .6758 .1579 .3737 -.0861 107 VAL 107 -.3161 999.9900 .5873 999.9900 .7810 .3507 .6574 .1171 .3422 .3653 108 VAL 108 -.0951 999.9900 -1.0788 999.9900 .7810 -.1310 .6586 .1169 .3426 .0765 109 GLY 109 -1.0699 999.9900 999.9900 999.9900 .7883 -.1408 .5892 .4737 .5250 .1953 110 ALA 110 -1.5027 999.9900 999.9900 999.9900 .7458 -.3784 .6650 .3168 .4619 .0562 111 LYS 111 -.9887 -1.2879 999.9900 -.4035 .7460 -.4675 .6766 .1554 .3726 -.2151 112 LYS 112 1.0429 -1.6955 999.9900 -.4035 .7460 -.1427 .6777 .1474 .3684 .0159 113 ASP 113 .6354 -2.4630 999.9900 999.9900 .8104 -.3391 .6802 .3871 .5092 .0100 114 GLU 114 .8733 -1.5476 999.9900 -1.0323 .6899 -.2542 .6746 .5234 .5864 .0302 115 LEU 115 .2355 -2.7185 999.9900 999.9900 .9565 -.5088 .6798 .1738 .3846 -.1346 116 GLN 116 .1632 -1.3908 999.9900 1.3059 .5113 .1474 .6741 .5165 .5822 .2967 117 SER 117 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6791 .5273 .5905 .4075 118 THR 118 .7717 999.9900 .4804 999.9900 .4476 .5666 .6597 -.2780 .1127 .4163 119 ILE 119 .6852 .8237 999.9900 999.9900 .6034 .7041 .6593 .0478 .3026 .5639 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6611 .3028 .4521 .5615 121 LYS 121 1.0429 -2.9005 999.9900 -.4035 .7460 -.3837 .6797 .1627 .3781 -.1538 122 HIS 122 .2028 .6357 999.9900 999.9900 .6686 .5024 .6796 .3234 .4718 .5020 123 LEU 123 -.9215 -3.3760 999.9900 999.9900 .9565 -1.1137 .6734 .1588 .3732 -.5018 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6613 .2575 .4306 .4594 Means: -.3594 -1.5278 -.5663 .1266 .7018 -.2149 .6584 .2402 .4150 .0425 2.00 analyzed_18