1 GLU 1 999.9900 -2.3808 999.9900 -1.0323 .6899 -.9077 .6778 .5199 .5917 -.3051 2 ALA 2 -1.8133 999.9900 999.9900 999.9900 .7458 -.5337 .6626 .3168 .4609 -.0220 3 GLU 3 -2.2616 -2.3808 999.9900 -1.0323 .6899 -1.2462 .6751 .5192 .5842 -.6318 4 VAL 4 -1.6193 999.9900 -1.0788 999.9900 .7810 -.6390 .6562 .1208 .3439 -.2280 5 HIS 5 -1.4902 -2.4183 999.9900 999.9900 .6686 -1.0800 .6819 .3237 .4730 -.4469 6 ASN 6 -2.8943 -2.3357 999.9900 999.9900 .7518 -1.4927 .6729 .3724 .4976 -.6866 7 GLN 7 -1.5899 -2.2325 999.9900 1.3059 .5113 -.5013 .6738 .5107 .5786 -.1368 8 LEU 8 -.0766 -3.3760 999.9900 999.9900 .9565 -.8320 .6798 .1585 .3757 -.3316 9 GLU 9 -.4497 -2.8418 999.9900 -1.0323 .6899 -.9085 .6790 .5203 .5864 -.4058 10 ILE 10 -.1366 .2838 999.9900 999.9900 .6034 .2502 .6604 .0421 .2997 .2906 11 LYS 11 -.1715 -2.9005 999.9900 .4411 .7460 -.2887 .6758 .1600 .3749 -.0869 12 PHE 12 .0490 .6915 999.9900 999.9900 .7573 .4993 .6733 .1072 .3431 .4557 13 ARG 13 -.7228 -2.8571 999.9900 .1593 .8581 -.4806 .6756 .5193 .5844 -.1726 14 LEU 14 -1.6816 -1.4996 999.9900 999.9900 .9565 -.7416 .6803 .1511 .3716 -.2787 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6596 -.2658 .1198 .0881 16 ASP 16 .0771 -2.4630 999.9900 999.9900 .8104 -.5252 .6739 .3728 .4982 -.1058 17 GLY 17 .8709 999.9900 999.9900 999.9900 .7883 .8296 .5798 .4708 .5193 .6774 18 SER 18 .2908 999.9900 -.7153 999.9900 .6705 .0820 .6781 .5365 .5955 .2921 19 ASP 19 -1.2415 -2.3194 999.9900 999.9900 .8104 -.9168 .6781 .3810 .5048 -.3383 20 ILE 20 -.2252 -3.0500 999.9900 999.9900 .6034 -.8906 .6590 .0478 .3024 -.3930 21 GLY 21 -1.2645 999.9900 999.9900 999.9900 .7883 -.2381 .3668 .4652 .4215 .0889 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5518 -.3735 .0120 .2506 23 LYS 23 -.3414 -1.4228 999.9900 -.4035 .7460 -.3650 .6773 .1512 .3704 -.1424 24 ALA 24 -.7342 999.9900 999.9900 999.9900 .7458 .0058 .6698 .3187 .4650 .2500 25 PHE 25 -.8057 .0765 999.9900 999.9900 .7573 .0094 .4789 .1034 .2599 .1221 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5386 -.3822 .0015 .2564 27 ASP 27 .2994 -.9533 999.9900 999.9900 .8104 .0522 .6807 .3773 .5037 .2429 28 ALA 28 -.8750 999.9900 999.9900 999.9900 .7458 -.0646 .6621 .3136 .4588 .2116 29 THR 29 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6604 -.2611 .1229 -.0516 30 THR 30 -.6210 999.9900 -.8810 999.9900 .4476 -.3515 .6548 -.2823 .1081 -.1364 31 VAL 31 -.6460 999.9900 -.0276 999.9900 .7810 .0358 .6639 .1211 .3472 .1785 32 SER 32 .9506 999.9900 -.7153 999.9900 .6705 .3019 .6757 .5311 .5913 .4225 33 ALA 33 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6657 .3102 .4583 .5928 34 LEU 34 .8786 -3.3760 999.9900 999.9900 .9565 -.5136 .6743 .1621 .3755 -.1409 35 LYS 35 .8536 -2.9005 999.9900 -.4035 .7460 -.4216 .6774 .1597 .3754 -.1816 36 GLU 36 .8604 -1.4588 999.9900 -1.0323 .6899 -.2352 .6773 .5306 .5917 .0445 37 THR 37 .8449 999.9900 -.2947 999.9900 .4476 .3326 .6592 -.2517 .1279 .2811 38 VAL 38 .5660 999.9900 .7395 999.9900 .7810 .6955 .6599 .1176 .3436 .5728 39 ILE 39 .6852 -1.6252 999.9900 999.9900 .6034 -.1122 .6601 .0522 .3055 .0752 40 SER 40 .0652 999.9900 -.7153 999.9900 .6705 .0068 .6712 .5254 .5861 .2434 41 GLU 41 .8733 -1.2470 999.9900 .3501 .6899 .1666 .6817 .5208 .5878 .3115 42 TRP 42 -.2716 -1.4740 999.9900 999.9900 .9378 -.2693 .4751 .1958 .3122 -.0274 43 PRO 43 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .5410 -.3696 .0098 -.4239 44 ARG 44 .0418 -1.8960 999.9900 .1593 .8581 -.1355 .6788 .5159 .5838 .0739 45 GLU 45 .6833 -2.3808 999.9900 -1.0323 .6899 -.5100 .6800 .5230 .5884 -.1395 46 LYS 46 -3.5196 -2.1617 999.9900 -.4035 .7460 -1.1485 .6745 .1554 .3717 -.7018 47 GLU 47 -3.2255 -2.3808 999.9900 .3501 .6899 -1.1416 .6804 .5243 .5893 -.5603 48 ASN 48 .5843 -.2921 999.9900 999.9900 .7518 .3480 .6751 .3855 .5062 .4209 49 GLY 49 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .3580 .4794 .4254 -.4652 50 PRO 50 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5430 -.3755 .0072 .2012 51 LYS 51 -3.5196 -.6840 999.9900 -.4035 .7460 -.8529 .6782 .1555 .3733 -.4901 52 THR 52 -.2075 999.9900 -.2947 999.9900 .4476 -.0182 .6559 -.2628 .1200 .0677 53 VAL 53 1.0462 999.9900 -1.0788 999.9900 .7810 .2495 .6631 .1238 .3485 .3071 54 LYS 54 1.0429 -.7918 999.9900 -.4035 .7460 .0380 .6786 .1415 .3653 .1443 55 GLU 55 .0468 -.0757 999.9900 .3501 .6899 .2528 .6736 .5161 .5817 .3668 56 VAL 56 .3116 999.9900 .7395 999.9900 .7810 .6107 .6614 .1104 .3400 .5208 57 LYS 57 -.2512 -2.1617 999.9900 -.0397 .7460 -.3493 .6692 .1535 .3684 -.1319 58 LEU 58 .1006 -2.9612 999.9900 999.9900 .9565 -.6347 .6773 .1625 .3770 -.2129 59 ILE 59 .3408 -2.6526 999.9900 999.9900 .6034 -.5695 .6557 .0463 .3002 -.2013 60 SER 60 -.7180 999.9900 -.7153 999.9900 .6705 -.2543 .6747 .5310 .5909 .0886 61 ALA 61 -1.8133 999.9900 999.9900 999.9900 .7458 -.5337 .6637 .3236 .4653 -.0200 62 GLY 62 .5273 999.9900 999.9900 999.9900 .7883 .6578 .5878 .4714 .5231 .5937 63 LYS 63 -.1919 -1.9682 999.9900 -.0770 .7460 -.3136 .6766 .1528 .3711 -.1055 64 VAL 64 -.4485 999.9900 .8055 999.9900 .7810 .3793 .6549 .1307 .3491 .3847 65 LEU 65 -.2246 -1.7966 999.9900 999.9900 .9565 -.3549 .6702 .1565 .3705 -.0476 66 GLU 66 -.6163 -1.6501 999.9900 1.7325 .6899 .0390 .6816 .5146 .5842 .2254 67 ASN 67 .6639 -1.5725 999.9900 999.9900 .7518 -.0522 .6758 .3917 .5101 .1822 68 SER 68 .1093 999.9900 -.7153 999.9900 .6705 .0215 .6716 .5255 .5864 .2523 69 LYS 69 -1.2016 -.2831 999.9900 -.4035 .7460 -.3091 .6801 .1609 .3773 -.1007 70 THR 70 -.1684 999.9900 -.2947 999.9900 .4476 -.0052 .6555 -.2532 .1254 .0773 71 VAL 71 .7260 999.9900 .6672 999.9900 .7810 .7248 .6570 .1255 .3470 .5914 72 LYS 72 .6751 -1.8181 999.9900 -.4035 .7460 -.2408 .6773 .1521 .3709 -.0535 73 ASP 73 .8349 -2.4630 999.9900 999.9900 .8104 -.2726 .6751 .3773 .5014 .0470 74 TYR 74 -1.0449 -4.1972 999.9900 999.9900 .5630 -1.5597 .6780 -.1609 .1887 -.8324 75 ARG 75 -1.4842 -2.3766 999.9900 .1593 .8581 -.5368 .6817 .5200 .5874 -.2118 76 SER 76 -.1309 999.9900 -.7153 999.9900 .6705 -.0586 .5062 .5357 .5234 .1732 77 PRO 77 -1.1662 999.9900 999.9900 999.9900 .4496 -.3583 .5573 -.3499 .0281 -.1273 78 VAL 78 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .6596 .1213 .3456 -.7715 79 SER 79 -2.0349 999.9900 -.0289 999.9900 .6705 -.4644 .6733 .5381 .5945 -.0364 80 ASN 80 -1.1452 -1.3461 999.9900 999.9900 .7518 -.5798 .6789 .3889 .5098 -.1343 81 LEU 81 -3.7702 -3.3760 999.9900 999.9900 .9565 -2.0632 .6803 .1507 .3714 -1.0717 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6661 .3194 .4639 -.4333 83 GLY 83 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5967 .4862 .5353 -.2753 84 ALA 84 -1.0292 999.9900 999.9900 999.9900 .7458 -.1417 .6665 .3230 .4661 .1765 85 VAL 85 -.7345 999.9900 .5873 999.9900 .7810 .2113 .6601 .1095 .3389 .2807 86 THR 86 .3363 999.9900 .4804 999.9900 .4476 .4214 .6626 -.2470 .1320 .3360 87 THR 87 .2184 999.9900 .6346 999.9900 .4476 .4335 .6607 -.2506 .1291 .3421 88 MET 88 -.1902 -2.5481 999.9900 .9587 .5203 -.3148 .6791 .5181 .5852 -.0104 89 HIS 89 -.2420 -2.0147 999.9900 999.9900 .6686 -.5294 .6762 .3234 .4704 -.1177 90 VAL 90 -.0145 999.9900 -.5532 999.9900 .7810 .0711 .6599 .1274 .3493 .2001 91 ILE 91 -.2113 -2.6526 999.9900 999.9900 .6034 -.7535 .6543 .0266 .2882 -.3159 92 ILE 92 -.0918 -1.0628 999.9900 999.9900 .6034 -.1837 .6655 .0482 .3054 .0325 93 GLN 93 -1.6601 -.7562 999.9900 1.3059 .5113 -.1498 .6751 .5223 .5860 .0997 94 ALA 94 -.9610 999.9900 999.9900 999.9900 .7458 -.1076 .4823 .3201 .3877 .1468 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5478 -.3657 .0149 .0838 96 VAL 96 -1.7973 999.9900 -.2457 999.9900 .7810 -.4206 .6628 .1312 .3527 -.0936 97 THR 97 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6580 -.2380 .1353 -.0474 98 GLU 98 -2.8104 .5502 999.9900 -1.0323 .6899 -.6507 .6725 .5233 .5855 -.2345 99 LYS 99 -3.5196 -2.4344 999.9900 -.4035 .7460 -1.2030 .6761 .1608 .3755 -.7397 100 GLU 100 -2.5676 -1.1891 999.9900 -1.0323 .6899 -1.0248 .6745 .5181 .5833 -.4844 101 LYS 101 999.9900 -2.9005 999.9900 .6133 999.9900 -.5580 .6831 -.0527 .2627 -.2087 Means: -.6404 -1.8683 -.3014 -.1022 .6979 -.3354 .6487 .2056 .3909 -.0428 2.00 analyzed_10