1 GLY 1 999.9900 999.9900 999.9900 999.9900 .7883 .7883 .7066 .7062 .7064 .7337 2 HIS 2 -.4125 -.3484 999.9900 999.9900 .6686 -.0308 .7066 .7025 .7042 .2634 3 HIS 3 -.9209 -3.1083 999.9900 999.9900 .6686 -1.1202 .7064 .7044 .7052 -.3900 4 HIS 4 -.2420 -3.1083 999.9900 999.9900 .6686 -.8939 .7065 .7037 .7049 -.2543 5 HIS 5 -.6280 -3.1083 999.9900 999.9900 .6686 -1.0226 .7054 .7036 .7044 -.3317 6 HIS 6 -1.9498 -.2312 999.9900 999.9900 .6686 -.5041 .7057 .7032 .7042 -.0207 7 HIS 7 -.1684 -1.7284 999.9900 999.9900 .6686 -.4094 .7054 .7025 .7037 .0359 8 LEU 8 -.7230 -1.7554 999.9900 999.9900 .9565 -.5073 .7060 .7030 .7042 -.0226 9 GLU 9 -1.3476 -2.3808 999.9900 1.1588 .6899 -.4699 .7056 .7040 .7046 -.0784 10 CYS 10 -1.2346 999.9900 .1296 999.9900 1.0610 -.0147 .7062 .7026 .7041 .2730 11 SER 11 -2.5541 999.9900 .6576 999.9900 .8922 -.3348 .7070 .7028 .7045 .0811 12 SER 12 .2739 999.9900 -.7153 999.9900 .7781 .1122 .7066 .7023 .7041 .3491 13 ASP 13 -2.8635 -2.3194 999.9900 999.9900 .9215 -1.4205 .7068 .7041 .7052 -.5701 14 SER 14 .0280 999.9900 -.7153 999.9900 .6705 -.0056 .7065 .7017 .7037 .2783 15 LEU 15 -3.7702 -2.0611 999.9900 999.9900 .8331 -1.6660 .7061 .7038 .7047 -.7177 16 GLN 16 -.4918 -1.9601 999.9900 1.3059 .5113 -.1587 .7059 .7028 .7041 .1290 17 LEU 17 -.4416 .5521 999.9900 999.9900 .8331 .3146 .7066 .7024 .7042 .4705 18 HIS 18 -.6701 -2.4183 999.9900 999.9900 .6686 -.8066 .7062 .7038 .7048 -.2020 19 ASN 19 -.2649 -2.3357 999.9900 999.9900 .8079 -.5976 .7062 .7032 .7044 -.0767 20 VAL 20 -.0463 999.9900 .2799 999.9900 .7810 .3382 .7069 .7056 .7061 .4854 21 PHE 21 -.2457 -.1636 999.9900 999.9900 .7573 .1160 .7063 .7017 .7036 .3512 22 VAL 22 -2.6451 999.9900 .1416 999.9900 .8778 -.5419 .7060 .7059 .7060 -.0428 23 TYR 23 -3.1208 -1.5559 999.9900 999.9900 .5630 -1.3713 .7067 .7032 .7047 -.5408 24 GLY 24 -3.4864 999.9900 999.9900 999.9900 .8897 -1.2983 .7063 .7054 .7058 -.2963 25 SER 25 .8349 999.9900 -.0289 999.9900 .6705 .4922 .7063 .7025 .7041 .5771 26 PHE 26 -2.7602 .0765 999.9900 999.9900 .7573 -.6421 .7065 .7034 .7047 -.1033 27 GLN 27 -2.2003 -1.7668 999.9900 1.3059 .5113 -.5375 .7068 .7037 .7050 -.1232 28 ASP 28 -.5899 -1.3712 999.9900 999.9900 .8104 -.3836 .7065 .6609 .6799 .0433 29 PRO 29 -.1156 999.9900 999.9900 999.9900 .4496 .1670 .7066 .6213 .6568 .4155 30 ASP 30 1.0149 -1.4992 999.9900 999.9900 .8104 .1087 .7068 .7034 .7049 .3473 31 VAL 31 -.2793 999.9900 -1.0788 999.9900 .7810 -.1923 .7062 .7065 .7064 .1672 32 ILE 32 .5785 -1.0628 999.9900 999.9900 .6034 .0397 .7068 .7066 .7067 .3065 33 ASN 33 .7786 -.6730 999.9900 999.9900 .8079 .3045 .7069 .7020 .7041 .4645 34 VAL 34 -.2954 999.9900 .5873 999.9900 .7810 .3576 .7063 .7063 .7063 .4971 35 MET 35 .5476 -2.5481 999.9900 .9587 .5203 -.1304 .7061 .7023 .7039 .1478 36 LEU 36 -3.7702 -2.9612 999.9900 999.9900 .8331 -1.9661 .7068 .7024 .7042 -.8978 37 ASP 37 -3.3417 -2.4630 999.9900 999.9900 .7118 -1.6976 .7070 .7039 .7052 -.7364 38 ARG 38 -1.6049 .3891 999.9900 .1593 .8581 -.0078 .7063 .7024 .7040 .1957 39 THR 39 -.4672 999.9900 .8779 999.9900 .4476 .2861 .7068 .6590 .6789 .4448 40 PRO 40 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7064 .6095 .6499 .5463 41 GLU 41 -.5578 -1.7714 999.9900 -1.0323 .6899 -.6679 .7059 .7029 .7041 -.2105 42 ILE 42 -.2252 -1.7901 999.9900 999.9900 1.0081 -.3357 .7064 .7061 .7062 .0811 43 VAL 43 .0764 999.9900 -1.0788 999.9900 .8778 -.0415 .7069 .7060 .7064 .2577 44 SER 44 -.7578 999.9900 -.0289 999.9900 .7781 -.0028 .7071 .7033 .7049 .2804 45 ALA 45 -.5509 999.9900 999.9900 999.9900 .8416 .1454 .7065 .7051 .7057 .4256 46 THR 46 .5084 999.9900 .8779 999.9900 .4476 .6113 .7064 .7064 .7064 .6493 47 LEU 47 -2.5767 .4002 999.9900 999.9900 .8331 -.4478 .7066 .6625 .6809 .0051 48 PRO 48 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7060 .6200 .6558 .5488 49 GLY 49 .7683 999.9900 999.9900 999.9900 .8277 .7980 .7067 .7051 .7058 .7520 50 PHE 50 .2240 -.1548 999.9900 999.9900 .7573 .2755 .7061 .7029 .7042 .4471 51 GLN 51 -.3431 -2.2325 999.9900 1.3059 .5113 -.1896 .7066 .7035 .7048 .1086 52 ARG 52 -.3214 -2.3766 999.9900 .1593 .8581 -.3043 .7067 .7024 .7042 -.0160 53 PHE 53 -.0244 -1.5308 999.9900 999.9900 .7573 -.2660 .7065 .7031 .7045 .1223 54 ARG 54 -.3294 -2.3766 999.9900 .5548 .8581 -.1476 .7057 .7029 .7041 .0958 55 LEU 55 -3.7702 -1.2483 999.9900 999.9900 .8331 -1.3951 .7060 .7025 .7040 -.5554 56 LYS 56 -3.5196 -1.9682 999.9900 .3546 .7460 -.8065 .7058 .7036 .7045 -.3747 57 GLY 57 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .7069 .7048 .7057 -.3118 58 ARG 58 -2.9267 -2.8571 999.9900 .1593 .8581 -.9214 .7060 .7029 .7042 -.4569 59 LEU 59 -.8032 -.0082 999.9900 999.9900 .9565 .0484 .7063 .7028 .7043 .3109 60 TYR 60 -.5773 -.7135 999.9900 999.9900 .5630 -.2426 .7062 .6528 .6750 .1262 61 PRO 61 -2.8996 999.9900 999.9900 999.9900 .4496 -1.2250 .7055 .6149 .6527 -.2824 62 CYS 62 -2.1588 999.9900 .1296 999.9900 .9108 -.3728 .7069 .7037 .7051 .0585 63 ILE 63 -.1535 -.0177 999.9900 999.9900 1.0081 .2790 .7063 .7061 .7062 .4499 64 VAL 64 -.3288 999.9900 -1.0788 999.9900 .8960 -.1705 .7066 .6613 .6802 .1713 65 PRO 65 .0120 999.9900 999.9900 999.9900 .6931 .3525 .7066 .6106 .6506 .5056 66 SER 66 .2241 999.9900 -.7153 999.9900 .6705 .0598 .7065 .7030 .7045 .3178 67 GLU 67 1.0761 -1.2470 999.9900 .3501 .6899 .2173 .7058 .7023 .7037 .3795 68 LYS 68 -3.5196 -.5697 999.9900 -.0397 .7460 -.6845 .7067 .7027 .7044 -.2876 69 GLY 69 -1.0699 999.9900 999.9900 999.9900 .8277 -.1211 .7067 .7045 .7055 .2922 70 GLU 70 -.5790 -1.3104 999.9900 1.1588 .6899 -.0102 .7058 .7024 .7038 .2279 71 VAL 71 .3372 999.9900 .5873 999.9900 .8960 .6069 .7064 .7064 .7064 .6467 72 HIS 72 -.2681 -1.5062 999.9900 999.9900 .6686 -.3686 .7055 .7022 .7036 .0604 73 GLY 73 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .7050 .7055 .7053 -.0648 74 LYS 74 -.3223 -2.1617 999.9900 -.4035 .8827 -.4817 .7070 .7031 .7047 -.1426 75 VAL 75 .3372 999.9900 -1.0788 999.9900 .7810 .0132 .7064 .7060 .7062 .2904 76 LEU 76 -.7094 -1.3209 999.9900 999.9900 .8331 -.3991 .7056 .7020 .7035 .0421 77 MET 77 -.3657 -1.4323 999.9900 .9587 .5203 -.0797 .7058 .7031 .7042 .1816 78 GLY 78 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .7069 .7053 .7060 .0108 79 VAL 79 .3116 999.9900 -.0276 999.9900 .7810 .3550 .7064 .7048 .7054 .4952 80 THR 80 -.1761 999.9900 -.8810 999.9900 .7246 -.1109 .7065 .7062 .7063 .2160 81 SER 81 .1304 999.9900 -.7153 999.9900 .6705 .0285 .7066 .7031 .7046 .2991 82 ASP 82 .6354 -2.4630 999.9900 999.9900 .7118 -.3719 .7071 .7029 .7046 .0588 83 GLU 83 .7157 .5502 999.9900 -1.0323 .6899 .2309 .7050 .7032 .7040 .3886 84 LEU 84 .8182 -3.3760 999.9900 999.9900 .9565 -.5337 .7066 .7034 .7047 -.0383 85 GLU 85 .6116 .0559 999.9900 -1.0323 .6899 .0813 .7053 .7029 .7039 .2889 86 ASN 86 1.0488 -3.3254 999.9900 999.9900 .7518 -.5083 .7050 .7018 .7031 -.0236 87 LEU 87 .6296 .8847 999.9900 999.9900 .8331 .7825 .7060 .7034 .7045 .7514 88 ASP 88 .8349 -1.1646 999.9900 999.9900 .8104 .1603 .7066 .7041 .7051 .3783 89 ALA 89 -.5981 999.9900 999.9900 999.9900 .7458 .0739 .7069 .7055 .7061 .3900 90 VAL 90 .2188 999.9900 .5873 999.9900 .7810 .5291 .7066 .7064 .7065 .6000 91 GLU 91 .0765 -2.1111 999.9900 1.1588 .6899 -.0465 .7040 .7032 .7035 .2035 92 GLY 92 -.3460 999.9900 999.9900 999.9900 .7883 .2211 .7059 .7056 .7057 .4634 93 ASN 93 .7786 .2511 999.9900 999.9900 .7518 .5938 .7065 .7035 .7048 .6383 94 GLU 94 -3.2255 -2.1111 999.9900 -1.0323 .3568 -1.5031 .7064 .7039 .7050 -.7670 95 TYR 95 -.2656 .3565 999.9900 999.9900 .5630 .2180 .7069 .7033 .7048 .4128 96 GLU 96 -.5239 -.7564 999.9900 2.1776 .3568 .3135 .7059 .7034 .7045 .4439 97 ARG 97 -.4945 .7078 999.9900 .1593 .8581 .2780 .7065 .7024 .7041 .3998 98 VAL 98 -.0523 999.9900 -1.0788 999.9900 .7810 -.1167 .7066 .7053 .7058 .2124 99 THR 99 .0466 999.9900 -.8810 999.9900 .4476 -.1289 .7062 .7064 .7063 .2051 100 VAL 100 -.3548 999.9900 -.5532 999.9900 .7810 -.0423 .7069 .7062 .7065 .2572 101 GLY 101 -.9638 999.9900 999.9900 999.9900 .7883 -.0878 .7060 .7048 .7053 .3088 102 ILE 102 -.7823 -2.0226 999.9900 999.9900 1.0081 -.5989 .7069 .7055 .7061 -.0769 103 VAL 103 .1158 999.9900 .1416 999.9900 .7810 .3462 .7070 .7063 .7066 .4903 104 ARG 104 -.5733 -1.6149 999.9900 .6901 .8581 .0100 .7066 .7033 .7047 .2086 105 GLU 105 -.2702 1.2230 999.9900 .3501 .6899 .4982 .7068 .7038 .7051 .5672 106 ASP 106 -1.1493 -1.6521 999.9900 999.9900 .8104 -.6637 .7062 .7043 .7051 -.1161 107 ASN 107 -2.8943 -3.3254 999.9900 999.9900 .6279 -1.8639 .7068 .7029 .7045 -.8364 108 SER 108 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .7063 .7029 .7043 -.4791 109 GLU 109 -.6811 -.6022 999.9900 -1.0323 .6899 -.4064 .7061 .7030 .7043 -.0361 110 LYS 110 -.2858 -1.0793 999.9900 .3240 .8827 .0331 .7070 .7028 .7045 .2251 111 MET 111 -.8637 -2.0676 999.9900 1.7963 .5203 -.1537 .7066 .7028 .7044 .1325 112 ALA 112 -1.1448 999.9900 999.9900 999.9900 .7458 -.1995 .7066 .7052 .7058 .2532 113 VAL 113 -.7132 999.9900 -1.0788 999.9900 .8960 -.2986 .7064 .7055 .7059 .1032 114 LYS 114 -.7069 -1.2879 999.9900 .1731 .7460 -.1805 .7068 .7031 .7046 .0725 115 THR 115 -1.0935 999.9900 -.8810 999.9900 .4476 -.5090 .7065 .7066 .7066 -.0227 116 TYR 116 -.2794 -.9018 999.9900 999.9900 .5630 -.2061 .7067 .7031 .7046 .1583 117 MET 117 -.9371 -.7698 999.9900 .9587 .5203 -.0570 .7061 .7033 .7045 .1969 118 TRP 118 -.4879 -1.9067 999.9900 999.9900 .9378 -.4856 .7065 .7027 .7043 -.0095 119 ILE 119 .4667 -2.2551 999.9900 999.9900 .6034 -.3950 .7070 .7057 .7063 .0456 120 ASN 120 -1.7258 -.5009 999.9900 999.9900 .8079 -.4729 .7065 .7026 .7042 -.0019 121 LYS 121 -.1232 .0549 999.9900 -.4035 .8827 .0015 .7069 .7030 .7046 .2025 122 ALA 122 -1.8459 999.9900 999.9900 999.9900 .7458 -.5501 .7054 .7051 .7052 .0776 123 ASP 123 -1.1787 -3.7306 999.9900 999.9900 .8104 -1.3663 .7059 .6553 .6764 -.5475 124 PRO 124 -.5342 999.9900 999.9900 999.9900 .4496 -.0423 .7057 .6108 .6503 .3080 125 ASP 125 .3915 -2.6388 999.9900 999.9900 .8104 -.4790 .7065 .7040 .7050 -.0053 126 MET 126 -2.6662 -2.5481 999.9900 .9587 .5203 -.9338 .7068 .7037 .7050 -.3875 127 PHE 127 -2.1010 -4.3038 999.9900 999.9900 .7573 -1.8825 .7054 .7033 .7042 -.8478 128 GLY 128 -.9638 999.9900 999.9900 999.9900 .8277 -.0681 .7070 .7051 .7060 .3190 129 GLU 129 -.3533 -2.8418 999.9900 -1.0323 .6899 -.8844 .7063 .7033 .7046 -.3547 130 TRP 130 -.7928 -3.3859 999.9900 999.9900 .9378 -1.0803 .7065 .7035 .7047 -.3662 131 ASN 131 .3666 .4350 999.9900 999.9900 .7518 .5178 .7062 .7026 .7041 .5924 132 PHE 132 .6259 -4.3038 999.9900 999.9900 .8629 -.9384 .7061 .7036 .7046 -.2811 133 GLU 133 .6833 -2.3808 999.9900 -1.0323 .6899 -.5100 .7053 .7028 .7038 -.1053 134 GLU 134 .8604 .3024 999.9900 .3501 .6899 .5507 .7056 .7032 .7042 .6019 135 TRP 135 .7294 .3450 999.9900 999.9900 .8342 .6362 .7070 .7033 .7048 .6638 136 LYS 136 .9451 -1.2293 999.9900 -.4035 .7460 -.0690 .7069 .7028 .7045 .1521 137 ARG 137 .6655 -1.4154 999.9900 .1593 .8581 .0854 .7056 .7025 .7038 .2621 138 LEU 138 .6509 -.1374 999.9900 999.9900 .8331 .4489 .7057 .7027 .7039 .5510 139 HIS 139 -.9209 -2.4183 999.9900 999.9900 .6686 -.8902 .7055 .7028 .7039 -.2525 140 LYS 140 .6780 -.1697 999.9900 .4411 .8827 .4546 .7069 .7027 .7044 .5261 141 LYS 141 -.1232 -1.6955 999.9900 -.4035 .8827 -.3486 .7067 .7021 .7040 -.0477 142 LYS 142 .9451 .7568 999.9900 -.4035 .7460 .3282 .7065 .7028 .7043 .4357 143 PHE 143 .0766 -.7766 999.9900 999.9900 .7573 .0191 .7062 .7026 .7041 .2932 144 ILE 144 .0556 -.0177 999.9900 999.9900 1.0081 .3487 .7067 .7059 .7062 .4917 145 GLU 145 .0908 -1.5476 999.9900 -1.0323 .3568 -.5331 .7068 .7024 .7042 -.1205 146 THR 146 .1421 999.9900 -.8810 999.9900 .4476 -.0971 .7069 .7065 .7067 .2244 147 PHE 147 .7405 -4.3038 999.9900 999.9900 .7573 -.9353 .7068 .7019 .7040 -.2794 148 LYS 148 1.0429 .0952 999.9900 .2495 .8827 .5040 .7061 .7022 .7038 .5612 149 LYS 149 .6780 -1.6955 999.9900 .6812 .8827 .2455 .7070 .7025 .7044 .3767 150 ILE 150 .2963 .8778 999.9900 999.9900 1.0081 .7274 .7067 .7059 .7062 .7190 151 MET 151 .6473 -2.5481 999.9900 .9587 .8447 -.0244 .7068 .7037 .7050 .2188 152 GLU 152 .6116 -.9977 999.9900 -1.0323 .6899 -.1821 .7064 .7029 .7044 .1135 153 CYS 153 1.0802 999.9900 .1296 999.9900 .9108 .7069 .7069 .7037 .7050 .7062 154 LYS 154 -.0075 -.3256 999.9900 .3546 .8827 .2518 .7064 .7032 .7045 .3812 155 LYS 155 .1686 .4277 999.9900 .1731 .8827 .3650 .7068 .7027 .7044 .4621 156 LYS 156 -2.1934 -.6840 999.9900 .4778 .7460 -.2352 .7069 .6584 .6786 .0271 157 PRO 157 -2.7614 999.9900 999.9900 999.9900 .4496 -1.1559 .7063 .6009 .6448 -.2512 158 GLN 158 -3.1236 -2.6982 999.9900 2.7911 .5113 -.6299 .7063 .7034 .7046 -.1850 159 GLY 159 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .7067 .7051 .7058 -.3117 160 GLN 160 -3.1236 -2.6982 999.9900 1.3059 .5113 -1.0012 .7069 .7028 .7045 -.4325 161 GLY 161 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .7068 .7055 .7061 -.3116 162 ASN 162 -1.3289 -2.7010 999.9900 999.9900 .7518 -1.0927 .7067 .7029 .7045 -.3737 163 ASP 163 -1.6875 -2.8653 999.9900 999.9900 .8104 -1.2475 .7068 .7032 .7047 -.4665 164 ASP 164 -.9091 -.5463 999.9900 999.9900 .8104 -.2150 .7070 .7033 .7048 .1531 165 ILE 165 .3059 -1.3043 999.9900 999.9900 .6034 -.1317 .7070 .7064 .7067 .2037 166 SER 166 -3.7598 999.9900 .6576 999.9900 .6705 -.8105 .7063 .7026 .7041 -.2045 167 HIS 167 -2.5191 -1.7284 999.9900 999.9900 .6686 -1.1929 .7062 .7038 .7048 -.4338 168 VAL 168 -4.3409 999.9900 -.5532 999.9900 .7810 -1.3710 .7061 .7055 .7058 -.5403 169 LEU 169 -.1775 -2.5464 999.9900 999.9900 .9565 -.5891 .7069 .7029 .7046 -.0715 170 ARG 170 -2.9267 .8949 999.9900 .1593 .8581 -.1710 .7068 .7029 .7045 .0792 171 GLU 171 -.6163 -1.4588 999.9900 .3501 .6899 -.2588 .7059 .7041 .7048 .0625 172 ASP 172 -1.4290 -.3623 999.9900 999.9900 .8104 -.3270 .7062 .7036 .7047 .0858 173 GLN 173 999.9900 -2.6982 999.9900 1.3059 999.9900 -.6962 .7068 .7007 .7033 .0038 Means: -.7419 -1.4093 -.2721 .2722 .7425 -.2687 .7064 .6981 .7015 .0989 2.00 analyzed_13