1 MET 1 999.9900 .3975 999.9900 .9587 .5203 .6255 .6803 .5121 .5886 .6138 2 GLY 2 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5902 .4705 .5237 -.4094 3 HIS 3 -2.5191 -3.1083 999.9900 999.9900 .6686 -1.6529 .6831 .3243 .4738 -.7903 4 HIS 4 -1.9498 -1.7284 999.9900 999.9900 .6686 -1.0032 .6782 .3223 .4706 -.4018 5 HIS 5 -3.0884 -.3484 999.9900 999.9900 .6686 -.9227 .6747 .3267 .4717 -.3534 6 HIS 6 -1.6168 -3.1083 999.9900 999.9900 .6686 -1.3522 .6753 .3261 .4716 -.6110 7 HIS 7 -1.4902 -1.5062 999.9900 999.9900 .6686 -.7759 .6827 .3218 .4722 -.2647 8 HIS 8 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6704 .3227 .4676 -.9070 9 LEU 9 -1.2495 -2.9612 999.9900 999.9900 .9565 -1.0847 .6805 .1640 .3792 -.4819 10 GLU 10 -.6163 1.0351 999.9900 -1.0323 .6899 .0191 .6727 .5181 .5825 .2112 11 MET 11 -2.2339 .2671 999.9900 .9587 .5203 -.1220 .6744 .5117 .5795 .1164 12 ALA 12 -1.2411 999.9900 999.9900 999.9900 .7458 -.2477 .6689 .3274 .4697 .1252 13 SER 13 -1.2373 999.9900 -.7153 999.9900 .6705 -.4274 .6738 .5264 .5878 -.0164 14 GLU 14 -.8477 -2.1111 999.9900 -1.0323 .6899 -.8253 .6822 .5218 .5886 -.3495 15 GLU 15 -2.3953 -1.6501 999.9900 -1.0323 .6899 -1.0969 .6792 .5214 .5871 -.5312 16 GLY 16 1.1448 999.9900 999.9900 999.9900 .7883 .9665 .5773 .4688 .5170 .7448 17 GLN 17 -.6340 -2.6982 999.9900 1.3059 .5113 -.3788 .6789 .5143 .5829 -.0536 18 VAL 18 .3372 999.9900 .6672 999.9900 .7810 .5952 .6494 .1120 .3360 .5094 19 ILE 19 -.4647 -.5302 999.9900 999.9900 .6034 -.1305 .6587 .0369 .2960 .0608 20 ALA 20 -.9979 999.9900 999.9900 999.9900 .7458 -.1261 .6687 .3161 .4630 .1832 21 CYS 21 -.3751 999.9900 .1296 999.9900 .9108 .2218 .6759 .3192 .4679 .3321 22 HIS 22 -.9209 -.9211 999.9900 999.9900 .6686 -.3912 .6728 .3196 .4667 -.0362 23 THR 23 -.5585 999.9900 -.8810 999.9900 .4476 -.3307 .6611 -.2609 .1233 -.1184 24 VAL 24 .7260 999.9900 .3968 999.9900 .7810 .6346 .6536 .1153 .3396 .5345 25 GLU 25 .8604 -1.4588 999.9900 .3501 .6899 .1104 .6780 .5149 .5828 .2724 26 THR 26 .9379 999.9900 -.8810 999.9900 .4476 .1682 .6526 -.2686 .1152 .1777 27 TRP 27 .9545 .0052 999.9900 999.9900 .9378 .6325 .6851 .1875 .3948 .5540 28 ASN 28 1.0488 -1.8756 999.9900 999.9900 .7518 -.0250 .6778 .3873 .5083 .1980 29 GLU 29 .7157 -2.3808 999.9900 1.1588 .6899 .0459 .6768 .5209 .5859 .2302 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6762 .5236 .5872 .1760 31 LEU 31 .8182 -1.6805 999.9900 999.9900 .9565 .0314 .6770 .1537 .3717 .1850 32 GLN 32 .7451 -.8354 999.9900 1.3059 .5113 .4317 .6810 .5248 .5899 .4888 33 LYS 33 .8536 -1.2293 999.9900 .2495 .7460 .1739 .6743 .1576 .3729 .2430 34 ALA 34 -.2135 999.9900 999.9900 999.9900 .7458 .2661 .6590 .3247 .4640 .3790 35 ASN 35 .2867 -1.5725 999.9900 999.9900 .7518 -.1780 .6702 .3737 .4973 .1020 36 GLU 36 .1449 .5461 999.9900 -1.0323 .6899 .0871 .6830 .5245 .5905 .2593 37 SER 37 -.3643 999.9900 -.7153 999.9900 .6705 -.1364 .6756 .5357 .5940 .1604 38 LYS 38 -1.3259 -.9951 999.9900 -.0397 .7460 -.3309 .6807 .1604 .3772 -.1162 39 THR 39 -.6341 999.9900 -.8810 999.9900 .4476 -.3558 .6585 -.2500 .1285 -.1318 40 LEU 40 -.2022 -3.3760 999.9900 999.9900 .9565 -.8739 .6767 .1558 .3729 -.3578 41 VAL 41 .0764 999.9900 -1.0788 999.9900 .7810 -.0738 .6592 .1166 .3427 .1109 42 VAL 42 .3894 999.9900 -1.0788 999.9900 .7810 .0306 .6514 .1185 .3406 .1723 43 VAL 43 -.0288 999.9900 .9224 999.9900 .7810 .5582 .6601 .1235 .3471 .4916 44 ASP 44 -.2609 -.9533 999.9900 999.9900 .8104 -.1346 .6764 .3935 .5114 .1332 45 PHE 45 -.0400 .0419 999.9900 999.9900 .7573 .2531 .6787 .1124 .3484 .3101 46 THR 46 -.5830 999.9900 -.8810 999.9900 .4476 -.3388 .6534 -.2573 .1222 -.1241 47 ALA 47 -.7246 999.9900 999.9900 999.9900 .7458 .0106 .6645 .3275 .4679 .2533 48 SER 48 .6980 999.9900 -.7153 999.9900 .6705 .2177 .6755 .5287 .5899 .3715 49 TRP 49 -1.3140 -1.6686 999.9900 999.9900 .9378 -.6816 .6745 .1834 .3880 -.2374 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6767 .3206 .4690 -.1541 51 GLY 51 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .3746 .4768 .4314 -.0009 52 PRO 52 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .5389 -.3814 .0021 .0505 53 CYS 53 1.1322 -1.5342 999.9900 .2382 .9108 .1868 .6707 .3079 .4591 .2876 54 ARG 54 .6041 -2.3766 999.9900 .6901 .8581 .0932 .6734 .5083 .5771 .2353 55 PHE 55 -1.4579 -2.1527 999.9900 999.9900 .7573 -.9511 .6693 .1033 .3391 -.4161 56 ILE 56 -1.5964 -3.0500 999.9900 999.9900 .6034 -1.3477 .6527 .0370 .2935 -.6707 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4706 .3181 .3817 .4746 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5513 -.3536 .0234 -.1166 59 PHE 59 1.0502 -1.6164 999.9900 999.9900 .7573 .0637 .6759 .1071 .3441 .1948 60 PHE 60 .6090 .5389 999.9900 999.9900 .7573 .6351 .6787 .0876 .3339 .5343 61 ALA 61 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6634 .3132 .4591 .5930 62 ASP 62 1.0815 -2.4630 999.9900 999.9900 .8104 -.1904 .6767 .3805 .5039 .0972 63 LEU 63 .4996 -2.4128 999.9900 999.9900 .9565 -.3189 .6827 .1476 .3705 -.0253 64 ALA 64 .6648 999.9900 999.9900 999.9900 .7458 .7053 .6650 .3114 .4588 .5967 65 LYS 65 .0195 -.7357 999.9900 .1140 .7460 .0516 .6766 .1493 .3690 .1548 66 LYS 66 .0419 -1.5918 999.9900 -.4035 .7460 -.3222 .6787 .1548 .3731 -.1111 67 LEU 67 -1.8089 -1.8889 999.9900 999.9900 .9565 -.9138 .5033 .1590 .3025 -.4158 68 PRO 68 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .5560 -.3746 .0132 .0565 69 ASN 69 .2469 -1.5725 999.9900 999.9900 .7518 -.1913 .6766 .3745 .5004 .0955 70 VAL 70 -.1817 999.9900 .2799 999.9900 .7810 .2931 .6565 .1112 .3384 .3294 71 LEU 71 -.1775 -2.5464 999.9900 999.9900 .9565 -.5891 .6740 .1487 .3676 -.1889 72 PHE 72 .1161 -1.2830 999.9900 999.9900 .7573 -.1365 .6765 .0949 .3372 .0724 73 LEU 73 -.5178 -2.9612 999.9900 999.9900 .9565 -.8408 .6715 .1663 .3768 -.3369 74 LYS 74 -.3161 -1.8181 999.9900 -.4035 .7460 -.4390 .6751 .1544 .3714 -.1951 75 VAL 75 .3758 999.9900 -1.0788 999.9900 .7810 .0260 .6557 .1330 .3508 .1734 76 ASP 76 -.0277 -3.7306 999.9900 999.9900 .8104 -.9826 .6742 .3903 .5086 -.3767 77 THR 77 .4802 999.9900 -.2947 999.9900 .4476 .2110 .6601 -.2632 .1215 .2060 78 ASP 78 .2251 -2.6388 999.9900 999.9900 .8104 -.5344 .6729 .3729 .4979 -.1115 79 GLU 79 -2.2616 -2.1111 999.9900 -1.0323 .6899 -1.1788 .6803 .5296 .5924 -.5842 80 LEU 80 -2.0617 -2.2115 999.9900 999.9900 .9565 -1.1055 .6789 .1566 .3742 -.4962 81 LYS 81 .6780 .2033 999.9900 -.0770 .7460 .2947 .6718 .1652 .3763 .3300 82 SER 82 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6807 .5338 .5950 .4712 83 VAL 83 .8065 999.9900 -1.0788 999.9900 .7810 .1696 .6595 .1078 .3377 .2552 84 ALA 84 .6648 999.9900 999.9900 999.9900 .7458 .7053 .6634 .3247 .4658 .5997 85 SER 85 1.0911 999.9900 -.7153 999.9900 .6705 .3488 .6786 .5193 .5857 .4488 86 ASP 86 1.1285 -2.1980 999.9900 999.9900 .8104 -.0864 .6805 .3962 .5146 .1635 87 TRP 87 -.7928 -.0877 999.9900 999.9900 .9378 .0191 .6791 .1946 .3965 .1862 88 ALA 88 -3.0686 999.9900 999.9900 999.9900 .7458 -1.1614 .6602 .3200 .4618 -.3356 89 ILE 89 -1.5964 .2838 999.9900 999.9900 .6034 -.2364 .6596 .0432 .3000 -.0013 90 GLN 90 -.8581 .0960 999.9900 1.3059 .5113 .2638 .6754 .5262 .5884 .3761 91 ALA 91 -.7688 999.9900 999.9900 999.9900 .7458 -.0115 .6651 .3135 .4600 .2389 92 MET 92 -.5247 -1.1990 999.9900 .9587 -1.9874 -.6881 .4768 .5228 .5037 -.2921 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5332 -.3561 .0144 .2616 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6569 -.2490 .1285 .0931 95 PHE 95 -.2457 -.8691 999.9900 999.9900 .7573 -.1192 .6710 .1032 .3398 .0833 96 MET 96 -.2651 -1.5870 999.9900 1.7963 .5203 .1161 .6705 .5241 .5851 .2765 97 PHE 97 -.1586 -4.3038 999.9900 999.9900 .7573 -1.2350 .6740 .1185 .3500 -.5825 98 LEU 98 -1.2649 -3.3760 999.9900 999.9900 .9565 -1.2281 .6796 .1526 .3722 -.5704 99 LYS 99 -.4529 -.2831 999.9900 .1731 .7460 .0712 .6798 .1619 .3777 .1711 100 GLU 100 -1.4621 -1.4588 999.9900 .3501 .6899 -.4702 .6758 .5224 .5863 -.1138 101 GLY 101 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5816 .4728 .5211 .7185 102 LYS 102 -.3161 -.5697 999.9900 -.4035 .7460 -.1894 .6715 .1614 .3739 -.0163 103 ILE 103 -1.3252 .5533 999.9900 999.9900 .6034 -.0562 .6541 .0414 .2967 .1054 104 LEU 104 -2.1729 -.9670 999.9900 999.9900 .9565 -.7278 .6783 .1628 .3776 -.2685 105 ASP 105 -.9091 -3.1847 999.9900 999.9900 .8104 -1.0944 .6782 .3894 .5097 -.4431 106 LYS 106 -1.3827 -2.4344 999.9900 -.4035 .7460 -.7756 .6736 .1459 .3658 -.4369 107 VAL 107 -.3161 999.9900 1.1129 999.9900 .7810 .5259 .6574 .1146 .3408 .4700 108 VAL 108 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .6606 .1304 .3514 .0205 109 GLY 109 -.8286 999.9900 999.9900 999.9900 .7883 -.0201 .5976 .4809 .5328 .2596 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6685 .3309 .4716 .0738 111 LYS 111 -.9887 -1.5918 999.9900 -.4035 .7460 -.5283 .6723 .1567 .3716 -.2589 112 LYS 112 .7090 -1.2879 999.9900 .1731 .7460 .1026 .6781 .1484 .3691 .1914 113 ASP 113 .6354 -3.7306 999.9900 999.9900 .8104 -.7616 .6849 .3863 .5107 -.2427 114 GLU 114 .6833 .8592 999.9900 -1.0323 .6899 .3000 .6743 .5159 .5819 .3984 115 LEU 115 .2355 -2.7185 999.9900 999.9900 .9565 -.5088 .6834 .1496 .3720 -.1387 116 GLN 116 .1632 -.8787 999.9900 1.3059 .5113 .2754 .6732 .5178 .5826 .3821 117 SER 117 .8651 999.9900 .3727 999.9900 .6705 .6361 .6815 .5374 .5974 .6254 118 THR 118 .7717 999.9900 -.8810 999.9900 .4476 .1128 .6547 -.2564 .1232 .1473 119 ILE 119 .6852 .4202 999.9900 999.9900 .6034 .5696 .6571 .0412 .2978 .4814 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6703 .3316 .4727 .5710 121 LYS 121 1.0429 -2.9005 999.9900 -.4035 .7460 -.3837 .6803 .1522 .3723 -.1552 122 HIS 122 .1567 .6357 999.9900 999.9900 .6686 .4870 .6771 .3254 .4720 .4927 123 LEU 123 -.3299 -3.3760 999.9900 999.9900 .9565 -.9165 .6760 .1603 .3751 -.3826 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6612 .2402 .4206 .4507 Means: -.3278 -1.5426 -.4446 .1101 .7026 -.2023 .6587 .2394 .4146 .0501 2.00 analyzed_3