1 GLY 1 999.9900 999.9900 999.9900 999.9900 .7883 .7883 .7068 .7063 .7066 .7338 2 HIS 2 -1.0475 -3.1083 999.9900 999.9900 .6686 -1.1624 .7057 .7032 .7043 -.4157 3 HIS 3 -.0187 -1.1713 999.9900 999.9900 .6686 -.1738 .7059 .7042 .7049 .1778 4 HIS 4 -.3517 -2.0147 999.9900 999.9900 .6686 -.5659 .7048 .7030 .7037 -.0580 5 HIS 5 .0195 -1.3248 999.9900 999.9900 .6686 -.2122 .7056 .7038 .7046 .1546 6 HIS 6 -.3517 -2.4183 999.9900 999.9900 .6686 -.7005 .7063 .7031 .7044 -.1384 7 HIS 7 -2.1861 -.9211 999.9900 999.9900 .6686 -.8129 .7060 .7032 .7044 -.2059 8 LEU 8 -1.5272 -.7315 999.9900 999.9900 .8331 -.4752 .7064 .7028 .7043 -.0033 9 GLU 9 -.3890 -1.6501 999.9900 .3501 .6899 -.2498 .7056 .7035 .7044 .0683 10 CYS 10 -.2502 999.9900 .8629 999.9900 1.0610 .5579 .7065 .7033 .7046 .6167 11 SER 11 -1.6828 999.9900 -.7153 999.9900 .8922 -.5020 .7062 .7034 .7046 -.0193 12 SER 12 .8760 999.9900 -.7153 999.9900 .6705 .2770 .7066 .7032 .7046 .4482 13 ASP 13 -.9091 -1.5978 999.9900 999.9900 .7118 -.5983 .7066 .7038 .7049 -.0769 14 SER 14 -1.6828 999.9900 -.7153 999.9900 .6705 -.5759 .7067 .7017 .7038 -.0638 15 LEU 15 -.7230 -2.4128 999.9900 999.9900 .8331 -.7676 .7057 .7021 .7036 -.1790 16 GLN 16 -3.1236 -1.6169 999.9900 1.3059 .5113 -.7308 .7060 .7037 .7047 -.2523 17 LEU 17 -.4371 -1.9410 999.9900 999.9900 .8331 -.5150 .7053 .7023 .7035 -.0275 18 HIS 18 -.6701 -2.4183 999.9900 999.9900 .6686 -.8066 .7058 .7035 .7045 -.2021 19 ASN 19 -.5865 -3.3254 999.9900 999.9900 .7518 -1.0534 .7067 .7020 .7039 -.3503 20 VAL 20 .0764 999.9900 -.2457 999.9900 .7810 .2039 .7068 .7065 .7066 .4050 21 PHE 21 -.2560 .1483 999.9900 999.9900 .7573 .2166 .7064 .7031 .7045 .4118 22 VAL 22 -2.6451 999.9900 -.5532 999.9900 .7810 -.8058 .7070 .7062 .7065 -.2008 23 TYR 23 -3.6999 -.0292 999.9900 999.9900 .5630 -1.0554 .7057 .7032 .7042 -.3514 24 GLY 24 -1.7786 999.9900 999.9900 999.9900 .8897 -.4444 .7069 .7054 .7060 .1308 25 SER 25 .5661 999.9900 .8786 999.9900 .6705 .7051 .7066 .7030 .7045 .7050 26 PHE 26 -.6888 .2875 999.9900 999.9900 .7573 .1187 .7065 .7026 .7042 .3530 27 GLN 27 .3572 -2.6982 999.9900 1.3059 .5113 -.1310 .7064 .7031 .7045 .1476 28 ASP 28 -.5526 -1.2611 999.9900 999.9900 .8104 -.3344 .7062 .6575 .6778 .0721 29 PRO 29 -.1156 999.9900 999.9900 999.9900 .4496 .1670 .7065 .6098 .6501 .4126 30 ASP 30 1.1359 -2.0928 999.9900 999.9900 .8104 -.0489 .7062 .7038 .7048 .2527 31 VAL 31 -.1540 999.9900 .3968 999.9900 .7810 .3413 .7068 .7063 .7065 .4874 32 ILE 32 .0556 -.3653 999.9900 999.9900 1.0081 .2328 .7060 .7062 .7061 .4221 33 ASN 33 1.1117 -2.0766 999.9900 999.9900 .7518 -.0710 .7065 .7032 .7046 .2393 34 VAL 34 -.2954 999.9900 -.0276 999.9900 .8960 .1910 .7069 .7059 .7063 .3972 35 MET 35 .5476 -2.5481 999.9900 .9587 .5203 -.1304 .7065 .7034 .7047 .1481 36 LEU 36 -3.7702 -2.9612 999.9900 999.9900 .8331 -1.9661 .7068 .7035 .7049 -.8976 37 ASP 37 -3.3417 -2.0928 999.9900 999.9900 .7118 -1.5742 .7066 .7029 .7044 -.6627 38 ARG 38 -1.6049 -2.3766 999.9900 .7862 .6728 -.3473 .7060 .7020 .7036 -.0469 39 THR 39 -.9300 999.9900 -.8810 999.9900 .4476 -.4545 .7066 .6599 .6794 .0006 40 PRO 40 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7069 .6011 .6452 .5443 41 GLU 41 -.7635 -1.4588 999.9900 -1.0323 .6899 -.6412 .7064 .7024 .7041 -.1926 42 ILE 42 -.2252 -1.9342 999.9900 999.9900 1.0081 -.3838 .7065 .7057 .7060 .0522 43 VAL 43 .0764 999.9900 -1.0788 999.9900 .8778 -.0415 .7068 .7062 .7065 .2577 44 SER 44 -.5457 999.9900 .6576 999.9900 .6705 .2608 .7069 .7036 .7050 .4386 45 ALA 45 -.5509 999.9900 999.9900 999.9900 .7458 .0974 .7068 .7051 .7058 .4017 46 THR 46 .5084 999.9900 .8779 999.9900 .4476 .6113 .7063 .7062 .7062 .6493 47 LEU 47 -2.0123 -.7461 999.9900 999.9900 .8331 -.6418 .7060 .6550 .6762 -.1129 48 PRO 48 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7052 .6107 .6501 .5463 49 GLY 49 1.0314 999.9900 999.9900 999.9900 .8277 .9295 .7066 .7057 .7061 .8178 50 PHE 50 -.0803 -.1548 999.9900 999.9900 .8629 .2093 .7066 .7031 .7045 .4075 51 GLN 51 -.3431 -2.6982 999.9900 1.3059 .7898 -.2364 .7069 .7037 .7050 .0775 52 ARG 52 -.4155 -.4122 999.9900 .1593 .8581 .0698 .7067 .7035 .7048 .2513 53 PHE 53 .1032 -1.5726 999.9900 999.9900 .8629 -.2022 .7061 .7027 .7041 .1604 54 ARG 54 -.2612 -2.8571 999.9900 .1593 .8581 -.3883 .7050 .7031 .7039 -.0762 55 LEU 55 -3.7702 -3.3760 999.9900 999.9900 .8331 -2.1043 .7061 .7024 .7039 -.9809 56 LYS 56 -2.1934 -1.6955 999.9900 -.0770 .7460 -.6594 .7062 .7030 .7043 -.2697 57 GLY 57 -1.3026 999.9900 999.9900 999.9900 .8277 -.2374 .7063 .7053 .7058 .2342 58 ARG 58 -2.9267 -1.6149 999.9900 .6901 .8581 -.4607 .7057 .7033 .7043 -.1278 59 LEU 59 -1.3472 -.8871 999.9900 999.9900 .9565 -.4259 .7060 .7019 .7036 .0260 60 TYR 60 -.4486 -.7135 999.9900 999.9900 .5630 -.1997 .7066 .6522 .6749 .1519 61 PRO 61 -2.5362 999.9900 999.9900 999.9900 .4496 -1.0433 .7060 .6089 .6494 -.1929 62 CYS 62 -2.4999 999.9900 .1296 999.9900 .9108 -.4865 .7064 .7040 .7050 -.0098 63 ILE 63 -.1366 -.0177 999.9900 999.9900 1.0081 .2846 .7058 .7058 .7058 .4531 64 VAL 64 -.3288 999.9900 -.2457 999.9900 .7810 .0688 .7070 .6592 .6791 .3146 65 PRO 65 .0120 999.9900 999.9900 999.9900 .6931 .3525 .7065 .6149 .6531 .5066 66 SER 66 .0184 999.9900 -.7153 999.9900 .6705 -.0088 .7068 .7025 .7043 .2766 67 GLU 67 .8733 -1.4588 999.9900 -1.0323 .6899 -.2320 .7065 .7023 .7040 .0801 68 LYS 68 -3.5196 -1.2879 999.9900 .5368 .7460 -.5976 .7057 .7031 .7042 -.2256 69 GLY 69 -1.0699 999.9900 999.9900 999.9900 .7883 -.1408 .7052 .7053 .7052 .2822 70 GLU 70 -.4325 -1.5476 999.9900 .3501 .6899 -.2350 .7068 .7030 .7046 .0783 71 VAL 71 .4077 999.9900 .5873 999.9900 .7810 .5920 .7062 .7062 .7062 .6377 72 HIS 72 -.5132 .0552 999.9900 999.9900 .6686 .0702 .7063 .7033 .7045 .3240 73 GLY 73 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .7064 .7059 .7061 .0108 74 LYS 74 -.2978 -1.5918 999.9900 .3240 .8827 -.0718 .7065 .7021 .7039 .1500 75 VAL 75 .5332 999.9900 -.5532 999.9900 .7810 .2537 .7064 .7053 .7058 .4346 76 LEU 76 -.7094 -.1374 999.9900 999.9900 .8331 -.0046 .7061 .7029 .7042 .2791 77 MET 77 -.3657 -1.4323 999.9900 .9587 .5203 -.0797 .7042 .7019 .7028 .1812 78 GLY 78 -.3903 999.9900 999.9900 999.9900 .7883 .1990 .7064 .7055 .7059 .4525 79 VAL 79 -.4842 999.9900 .9224 999.9900 .7810 .4064 .7067 .7047 .7055 .5261 80 THR 80 -.2569 999.9900 -.8810 999.9900 .7246 -.1378 .7067 .7063 .7065 .1999 81 SER 81 .0086 999.9900 -.7153 999.9900 .6705 -.0121 .7059 .7033 .7044 .2746 82 ASP 82 .6354 -1.2276 999.9900 999.9900 .7118 .0399 .7067 .7040 .7051 .3061 83 GLU 83 1.0761 -1.7714 999.9900 -1.0323 .6899 -.2594 .7052 .7030 .7040 .0618 84 LEU 84 .0926 -2.7185 999.9900 999.9900 .9565 -.5565 .7063 .7028 .7042 -.0521 85 GLU 85 .6833 -1.4588 999.9900 -1.0323 .6899 -.2795 .7064 .7037 .7048 .0487 86 ASN 86 .9310 -3.3254 999.9900 999.9900 .7518 -.5475 .7066 .7033 .7047 -.0465 87 LEU 87 .9913 .3561 999.9900 999.9900 .8331 .7268 .7064 .7037 .7048 .7181 88 ASP 88 .8349 -.3515 999.9900 999.9900 .8104 .4313 .7067 .7043 .7053 .5410 89 ALA 89 .3637 999.9900 999.9900 999.9900 .7458 .5548 .7069 .7051 .7058 .6304 90 VAL 90 .2188 999.9900 .6672 999.9900 .7810 .5557 .7065 .7064 .7064 .6160 91 GLU 91 -.1289 -1.1891 999.9900 -1.0323 .6899 -.4151 .7056 .7024 .7037 -.0421 92 GLY 92 .0582 999.9900 999.9900 999.9900 .7883 .4232 .7058 .7058 .7058 .5645 93 ASN 93 .9642 -.7217 999.9900 999.9900 .7518 .3314 .7058 .7037 .7046 .4808 94 GLU 94 -2.3953 -.8834 999.9900 -1.0323 .3568 -.9886 .7055 .7025 .7037 -.4244 95 TYR 95 -.9465 -.4024 999.9900 999.9900 .5630 -.2620 .7064 .7036 .7048 .1248 96 GLU 96 -.5863 .2905 999.9900 -1.0323 .3568 -.2428 .7067 .7025 .7043 .0730 97 ARG 97 -.3136 -.5720 999.9900 1.3169 .8581 .5213 .7067 .7028 .7044 .5737 98 VAL 98 -.0523 999.9900 -1.0788 999.9900 .7810 -.1167 .7064 .7050 .7056 .2123 99 THR 99 .0466 999.9900 -.8810 999.9900 .4476 -.1289 .7066 .7058 .7061 .2051 100 VAL 100 -.7132 999.9900 -1.0788 999.9900 .7810 -.3370 .7057 .7057 .7057 .0801 101 GLY 101 -1.0419 999.9900 999.9900 999.9900 .7883 -.1268 .7063 .7056 .7059 .2896 102 ILE 102 -1.0140 -2.2551 999.9900 999.9900 1.0081 -.7537 .7063 .7058 .7060 -.1698 103 VAL 103 -.4337 999.9900 .2799 999.9900 .7810 .2091 .7060 .7062 .7061 .4079 104 ARG 104 -.5733 -2.3766 999.9900 .1593 .8581 -.3546 .7064 .7032 .7045 -.0519 105 GLU 105 .0468 .6687 999.9900 .3501 .6899 .4389 .7066 .7028 .7043 .5275 106 ASP 106 -1.1493 -2.0928 999.9900 999.9900 .7118 -.8435 .7060 .7042 .7049 -.2240 107 ASN 107 -.2917 -3.3254 999.9900 999.9900 .6279 -.9964 .7060 .7031 .7044 -.3160 108 SER 108 -2.1138 999.9900 -.7153 999.9900 .6705 -.7195 .7060 .7032 .7044 -.1499 109 GLU 109 -1.1136 -.9977 999.9900 -1.0323 .6899 -.6134 .7068 .7024 .7043 -.1741 110 LYS 110 -.2400 -.2178 999.9900 -.4035 .8827 -.0764 .7066 .7027 .7043 .1467 111 MET 111 -.4670 -2.5481 999.9900 .9587 .5203 -.3841 .7066 .7036 .7048 -.0210 112 ALA 112 -.9131 999.9900 999.9900 999.9900 .7458 -.0837 .7065 .7057 .7060 .3112 113 VAL 113 -.7132 999.9900 -1.0788 999.9900 .8960 -.2986 .7065 .7056 .7060 .1032 114 LYS 114 -.3038 -1.5020 999.9900 -.0770 .7460 -.2428 .7067 .7028 .7044 .0280 115 THR 115 -.0676 999.9900 -.8810 999.9900 .4476 -.1670 .7061 .7064 .7063 .1823 116 TYR 116 .6244 -2.9749 999.9900 999.9900 .8158 -.5116 .7067 .7040 .7051 -.0248 117 MET 117 -.5247 -1.5870 999.9900 .9587 .8447 -.0771 .7061 .7028 .7042 .1834 118 TRP 118 -.4879 -3.3859 999.9900 999.9900 .9378 -.9787 .7065 .7033 .7046 -.3052 119 ILE 119 .4667 -1.9342 999.9900 999.9900 .6034 -.2880 .7070 .7064 .7066 .1098 120 ASN 120 1.0488 -1.5725 999.9900 999.9900 .8079 .0947 .7068 .7025 .7043 .3387 121 LYS 121 -1.8854 .0381 999.9900 -.0770 .8827 -.2237 .7068 .7030 .7046 .0416 122 ALA 122 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .7063 .7055 .7058 -.3268 123 ASP 123 .0214 -2.6388 999.9900 999.9900 .8104 -.6023 .7065 .6540 .6759 -.0893 124 PRO 124 -.5342 999.9900 999.9900 999.9900 .9143 .1900 .7064 .6155 .6534 .4255 125 ASP 125 -.2299 .0721 999.9900 999.9900 .8104 .2175 .7063 .7031 .7044 .4124 126 MET 126 -.4857 -2.5481 999.9900 .9587 .8447 -.3076 .7065 .7038 .7049 .0300 127 PHE 127 -3.6149 .1164 999.9900 999.9900 .7573 -.9137 .7061 .7033 .7045 -.2663 128 GLY 128 -1.4779 999.9900 999.9900 999.9900 .8277 -.3251 .7059 .7056 .7058 .1903 129 GLU 129 -.5863 .0026 999.9900 -1.0323 .6899 -.2315 .7060 .7029 .7042 .0805 130 TRP 130 -.4195 -3.3859 999.9900 999.9900 .9378 -.9559 .7066 .7040 .7050 -.2914 131 ASN 131 -.4092 -3.3254 999.9900 999.9900 .7518 -.9942 .7062 .7028 .7042 -.3147 132 PHE 132 .4032 .5510 999.9900 999.9900 .7573 .5705 .7058 .7027 .7040 .6240 133 GLU 133 .6116 -1.9198 999.9900 -1.0323 .6899 -.4126 .7061 .7031 .7043 -.0402 134 GLU 134 -.2011 -.2810 999.9900 -1.0323 .6899 -.2061 .7049 .7032 .7039 .0973 135 TRP 135 .7294 .3450 999.9900 999.9900 .9378 .6707 .7069 .7044 .7055 .6847 136 LYS 136 .2857 -1.8181 999.9900 -.0397 .7460 -.1732 .7070 .7022 .7042 .0776 137 ARG 137 .6655 -1.4154 999.9900 1.0005 .8581 .4218 .7057 .7025 .7039 .5025 138 LEU 138 .6509 -1.0469 999.9900 999.9900 .8331 .1457 .7065 .7031 .7045 .3693 139 HIS 139 -.3228 -1.1713 999.9900 999.9900 .6686 -.2752 .7058 .7025 .7039 .1166 140 LYS 140 .6780 -.1697 999.9900 -.4035 .8827 .1168 .7068 .7024 .7042 .2847 141 LYS 141 -.1232 -.6840 999.9900 -.4035 .8827 -.1463 .7067 .7018 .7038 .0967 142 LYS 142 .9451 -2.1617 999.9900 -.0770 .7460 -.1249 .7069 .7033 .7048 .1122 143 PHE 143 -.0639 -3.3183 999.9900 999.9900 .7573 -.8750 .7064 .7027 .7043 -.2432 144 ILE 144 .0556 -.0177 999.9900 999.9900 .6034 .2137 .7057 .7065 .7062 .4107 145 GLU 145 -.1187 -1.2470 999.9900 -1.0323 .6899 -.4270 .7065 .7022 .7040 -.0499 146 THR 146 -.3004 999.9900 .8779 999.9900 .4476 .3417 .7062 .7062 .7062 .4875 147 PHE 147 .7405 -4.3038 999.9900 999.9900 .7573 -.9353 .7069 .7027 .7045 -.2793 148 LYS 148 1.0429 -.1469 999.9900 .3546 .8827 .4976 .7067 .7026 .7043 .5567 149 LYS 149 .6780 -.8530 999.9900 .3546 .8827 .2834 .7067 .7033 .7047 .4038 150 ILE 150 .6852 .8237 999.9900 999.9900 1.0081 .8390 .7062 .7065 .7064 .7860 151 MET 151 .5476 -.3742 999.9900 .9587 .5203 .4131 .7064 .7028 .7043 .5103 152 GLU 152 .6116 -2.1111 999.9900 -1.0323 .6899 -.4605 .7045 .7024 .7033 -.0725 153 CYS 153 .8160 999.9900 .1296 999.9900 .9108 .6188 .7067 .7041 .7052 .6534 154 LYS 154 .8536 -.2432 999.9900 .4778 .8827 .4897 .7067 .7031 .7046 .5512 155 LYS 155 -3.5196 -1.5918 999.9900 -.0770 .8827 -.8765 .7065 .7017 .7037 -.4249 156 LYS 156 -.2799 -1.8181 999.9900 .1140 .7460 -.2248 .7068 .6608 .6800 .0348 157 PRO 157 -1.1662 999.9900 999.9900 999.9900 .4496 -.3583 .7070 .6110 .6510 .1504 158 GLN 158 -2.6620 -.9749 999.9900 2.7911 .5113 -.0836 .7063 .7037 .7048 .1793 159 GLY 159 -.5849 999.9900 999.9900 999.9900 .8277 .1214 .7061 .7045 .7052 .4133 160 GLN 160 -.6665 -1.2219 999.9900 1.3059 .5113 -.0178 .7069 .7028 .7045 .2231 161 GLY 161 -.7692 999.9900 999.9900 999.9900 .8277 .0292 .7067 .7043 .7054 .3674 162 ASN 162 -.8440 -1.1653 999.9900 999.9900 .8079 -.4005 .7063 .7029 .7043 .0416 163 ASP 163 -.5288 -2.1980 999.9900 999.9900 .8104 -.6388 .7068 .7042 .7053 -.1011 164 ASP 164 -1.0941 -1.8420 999.9900 999.9900 .8104 -.7086 .7057 .7037 .7045 -.1433 165 ILE 165 -2.7096 -.6477 999.9900 999.9900 .4912 -.9554 .7065 .7061 .7062 -.2907 166 SER 166 .1304 999.9900 -.7153 999.9900 .6705 .0285 .7066 .7022 .7040 .2989 167 HIS 167 -.6280 -2.4183 999.9900 999.9900 .6686 -.7926 .7061 .7035 .7046 -.1936 168 VAL 168 -1.4748 999.9900 -.2457 999.9900 .7810 -.3132 .7065 .7051 .7057 .0944 169 LEU 169 -.1897 -3.3760 999.9900 999.9900 .9565 -.8697 .7068 .7035 .7049 -.2398 170 ARG 170 -1.6049 -1.6149 999.9900 .1593 .8581 -.4086 .7069 .7035 .7049 -.0904 171 GLU 171 -1.9801 -.8493 999.9900 -1.0323 .6899 -.7930 .7061 .7033 .7045 -.2937 172 ASP 172 -2.5838 -1.6521 999.9900 999.9900 .8104 -1.1418 .7060 .7033 .7045 -.4032 173 GLN 173 999.9900 -.1406 999.9900 1.3059 999.9900 .5826 .7069 .6998 .7028 .6430 Means: -.5460 -1.4280 -.2257 .1545 .7455 -.2255 .7063 .6979 .7014 .1257 2.00 analyzed_15