1 GLY 1 999.9900 999.9900 999.9900 999.9900 .7883 .7883 .7056 .7060 .7058 .7333 2 HIS 2 -1.4902 -2.0147 999.9900 999.9900 .6686 -.9454 .7069 .7027 .7044 -.2854 3 HIS 3 -1.7665 -3.1083 999.9900 999.9900 .6686 -1.4021 .7055 .7044 .7048 -.5593 4 HIS 4 -.2681 -1.5062 999.9900 999.9900 .6686 -.3686 .7055 .7038 .7045 .0607 5 HIS 5 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .7066 .7036 .7048 -.8236 6 HIS 6 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .7063 .7035 .7047 -.8236 7 HIS 7 -.9818 -1.5062 999.9900 999.9900 .6686 -.6065 .7047 .7035 .7040 -.0822 8 LEU 8 -2.3851 -2.5464 999.9900 999.9900 .9565 -1.3250 .7060 .7029 .7042 -.5132 9 GLU 9 -1.5287 -2.1111 999.9900 .3501 .6899 -.6500 .7068 .7033 .7048 -.1983 10 CYS 10 -1.4460 999.9900 .1296 999.9900 1.0610 -.0851 .7068 .7032 .7047 .2309 11 SER 11 -2.5541 999.9900 -.7153 999.9900 .8922 -.7924 .7060 .7032 .7044 -.1936 12 SER 12 1.0911 999.9900 -.0289 999.9900 .6705 .5776 .7068 .7028 .7045 .6285 13 ASP 13 -.4109 -3.1847 999.9900 999.9900 .7118 -.9613 .7068 .7035 .7049 -.2947 14 SER 14 -3.7598 999.9900 -.0289 999.9900 .6705 -1.0394 .7059 .7032 .7043 -.3418 15 LEU 15 -3.7702 -2.9612 999.9900 999.9900 .8331 -1.9661 .7060 .7029 .7042 -.8979 16 GLN 16 -1.3198 -.4594 999.9900 1.3059 .5113 .0095 .7061 .7043 .7050 .2414 17 LEU 17 -.4371 -1.9410 999.9900 999.9900 .8331 -.5150 .7062 .7036 .7047 -.0270 18 HIS 18 -.6701 -2.4183 999.9900 999.9900 .6686 -.8066 .7062 .7039 .7048 -.2020 19 ASN 19 -.3337 -3.3254 999.9900 999.9900 .8079 -.9504 .7065 .7023 .7040 -.2885 20 VAL 20 -.0463 999.9900 .5873 999.9900 .7810 .4407 .7066 .7056 .7060 .5469 21 PHE 21 -.2560 .5389 999.9900 999.9900 .7573 .3467 .7065 .7038 .7049 .4901 22 VAL 22 -1.1939 999.9900 -.2457 999.9900 .7810 -.2195 .7062 .7052 .7056 .1506 23 TYR 23 -1.0804 -1.2283 999.9900 999.9900 .5630 -.5819 .7067 .7028 .7044 -.0673 24 GLY 24 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .7071 .7051 .7060 -.3116 25 SER 25 .5661 999.9900 -.7153 999.9900 .6705 .1737 .7069 .7034 .7048 .3863 26 PHE 26 -2.5364 -.5590 999.9900 999.9900 .7573 -.7793 .7062 .7029 .7043 -.1858 27 GLN 27 .0311 -1.3011 999.9900 1.3059 .5113 .1368 .7056 .7036 .7044 .3261 28 ASP 28 -.4515 -1.3712 999.9900 999.9900 .8104 -.3374 .7069 .6562 .6773 .0702 29 PRO 29 -.1156 999.9900 999.9900 999.9900 .4496 .1670 .7068 .6117 .6513 .4131 30 ASP 30 1.0149 -.0074 999.9900 999.9900 .8104 .6060 .7063 .7031 .7044 .6455 31 VAL 31 .3707 999.9900 -1.0788 999.9900 .7810 .0243 .7067 .7057 .7061 .2971 32 ILE 32 1.0115 -.3653 999.9900 999.9900 .6034 .4165 .7056 .7059 .7058 .5322 33 ASN 33 1.1117 -3.3254 999.9900 999.9900 .8079 -.4686 .7067 .7028 .7044 .0008 34 VAL 34 -.2954 999.9900 .8662 999.9900 .7810 .4506 .7065 .7065 .7065 .5530 35 MET 35 .5476 -2.5481 999.9900 .9587 .5203 -.1304 .7053 .7033 .7041 .1478 36 LEU 36 -3.7702 -2.9612 999.9900 999.9900 .8331 -1.9661 .7055 .7020 .7034 -.8981 37 ASP 37 -3.3417 -2.1980 999.9900 999.9900 .7118 -1.6093 .7060 .7032 .7044 -.6837 38 ARG 38 -2.5097 -.4990 999.9900 .6901 .6728 -.1912 .7056 .7006 .7027 .0644 39 THR 39 -1.4518 999.9900 -.8810 999.9900 .4476 -.6284 .7065 .6611 .6800 -.1035 40 PRO 40 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7063 .6179 .6548 .5484 41 GLU 41 -.7635 -1.9198 999.9900 -1.0323 .6899 -.7564 .7063 .7038 .7048 -.2693 42 ILE 42 .2593 -1.9342 999.9900 999.9900 1.0081 -.2223 .7065 .7058 .7061 .1491 43 VAL 43 .0764 999.9900 -.2457 999.9900 .8778 .2362 .7066 .7053 .7059 .4241 44 SER 44 -.5457 999.9900 1.0592 999.9900 .7781 .4305 .7069 .7023 .7042 .5402 45 ALA 45 -.5509 999.9900 999.9900 999.9900 .8416 .1454 .7058 .7051 .7054 .4254 46 THR 46 .5084 999.9900 .8779 999.9900 .4476 .6113 .7048 .7060 .7055 .6489 47 LEU 47 -2.0123 -.0669 999.9900 999.9900 .8331 -.4154 .7063 .6525 .6749 .0225 48 PRO 48 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7055 .6107 .6502 .5464 49 GLY 49 1.0314 999.9900 999.9900 999.9900 .8277 .9295 .7059 .7057 .7058 .8177 50 PHE 50 -.0803 -.1548 999.9900 999.9900 .7573 .1741 .7069 .7038 .7051 .3866 51 GLN 51 -.3431 -1.3011 999.9900 2.7911 .5113 .4145 .7063 .7026 .7041 .5112 52 ARG 52 -.3214 -1.8960 999.9900 1.2696 .8581 .2360 .7058 .7025 .7039 .3697 53 PHE 53 .1161 -1.7109 999.9900 999.9900 .8629 -.2440 .7062 .7027 .7042 .1354 54 ARG 54 -.4155 -2.8571 999.9900 .1593 .8581 -.4192 .7048 .7035 .7040 -.0982 55 LEU 55 -3.7702 -3.3760 999.9900 999.9900 .8331 -2.1043 .7058 .7025 .7039 -.9809 56 LYS 56 -3.5196 -1.5020 999.9900 -.4035 .8827 -.9892 .7064 .7025 .7041 -.5053 57 GLY 57 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .7066 .7042 .7053 -.3120 58 ARG 58 -2.9267 -2.3766 999.9900 .1593 .8581 -.8253 .7066 .7033 .7047 -.3881 59 LEU 59 -.8032 -.0082 999.9900 999.9900 .9565 .0484 .7064 .7013 .7034 .3106 60 TYR 60 -.6610 -4.1972 999.9900 999.9900 .5630 -1.4317 .7068 .6540 .6760 -.5869 61 PRO 61 -2.5362 999.9900 999.9900 999.9900 .4496 -1.0433 .7059 .6149 .6528 -.1914 62 CYS 62 -2.4999 999.9900 .1296 999.9900 .9108 -.4865 .7053 .7036 .7043 -.0101 63 ILE 63 -.3358 -.0414 999.9900 999.9900 1.0081 .2103 .7067 .7066 .7067 .4089 64 VAL 64 -.8680 999.9900 -1.0788 999.9900 .7810 -.3886 .7063 .6580 .6781 .0397 65 PRO 65 .0120 999.9900 999.9900 999.9900 .6931 .3525 .7065 .6180 .6549 .5074 66 SER 66 .2241 999.9900 -.7153 999.9900 .6705 .0598 .7064 .7042 .7051 .3180 67 GLU 67 .8733 -2.3808 999.9900 -1.0323 .6899 -.4625 .7062 .7024 .7040 -.0736 68 LYS 68 -3.5196 -.1697 999.9900 .1731 .7460 -.5194 .7059 .7034 .7044 -.1697 69 GLY 69 -1.0699 999.9900 999.9900 999.9900 .8277 -.1211 .7054 .7045 .7049 .2919 70 GLU 70 -.4325 -.8169 999.9900 .3501 .6899 -.0524 .7065 .7019 .7038 .1998 71 VAL 71 .5332 999.9900 .5873 999.9900 .7810 .6338 .7057 .7060 .7059 .6627 72 HIS 72 -.5132 -1.1713 999.9900 999.9900 .6686 -.3386 .7054 .7016 .7032 .0782 73 GLY 73 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .7066 .7051 .7057 -.0646 74 LYS 74 -.3223 -1.5918 999.9900 -.4035 .8827 -.3677 .7066 .7025 .7042 -.0614 75 VAL 75 .5332 999.9900 -.0276 999.9900 .7810 .4289 .7053 .7058 .7056 .5395 76 LEU 76 -.8349 -1.3209 999.9900 999.9900 .8331 -.4409 .7064 .7032 .7045 .0174 77 MET 77 -.9371 -1.0247 999.9900 .9587 .5203 -.1207 .7069 .7030 .7046 .1545 78 GLY 78 .9055 999.9900 999.9900 999.9900 .7883 .8469 .7066 .7052 .7058 .7764 79 VAL 79 -1.2071 999.9900 -1.0788 999.9900 .7810 -.5016 .7055 .7048 .7051 -.0189 80 THR 80 -.1761 999.9900 -.8810 999.9900 .7246 -.1109 .7059 .7065 .7062 .2160 81 SER 81 .7360 999.9900 -.7153 999.9900 .6705 .2304 .7064 .7033 .7046 .4202 82 ASP 82 1.0149 .1670 999.9900 999.9900 .7118 .6312 .7058 .7033 .7044 .6606 83 GLU 83 .8733 -1.9198 999.9900 -1.0323 .6899 -.3472 .7063 .7021 .7039 .0033 84 LEU 84 .8182 -2.4128 999.9900 999.9900 .8331 -.2538 .7057 .7025 .7039 .1294 85 GLU 85 .6833 -2.8418 999.9900 -1.0323 .6899 -.6253 .7065 .7029 .7044 -.1819 86 ASN 86 1.3908 -3.3254 999.9900 999.9900 .7518 -.3942 .7060 .7025 .7040 .0452 87 LEU 87 .8182 -.9564 999.9900 999.9900 .8331 .2316 .7065 .7029 .7044 .4209 88 ASP 88 1.1285 -.9533 999.9900 999.9900 .8104 .3286 .7064 .7035 .7047 .4791 89 ALA 89 -.1584 999.9900 999.9900 999.9900 .7458 .2937 .7067 .7047 .7055 .4997 90 VAL 90 -.1888 999.9900 .8662 999.9900 .7810 .4861 .7066 .7063 .7064 .5743 91 GLU 91 -.1289 -1.6501 999.9900 1.1588 .6899 .0174 .7053 .7034 .7042 .2464 92 GLY 92 -.3460 999.9900 999.9900 999.9900 .8277 .2408 .7065 .7059 .7062 .4735 93 ASN 93 .1528 -1.8756 999.9900 999.9900 .7518 -.3236 .7066 .7024 .7041 .0876 94 GLU 94 -2.8104 -1.4588 999.9900 -1.0323 .3568 -1.2362 .7062 .7038 .7048 -.5891 95 TYR 95 -.0390 .3565 999.9900 999.9900 .5630 .2935 .7061 .7037 .7047 .4580 96 GLU 96 -.5863 -.2267 999.9900 1.1588 .3568 .1756 .7070 .7028 .7045 .3520 97 ARG 97 -.4945 -.3536 999.9900 .1593 .8581 .0657 .7069 .7025 .7043 .2483 98 VAL 98 -.0523 999.9900 -1.0788 999.9900 .7810 -.1167 .7061 .7055 .7057 .2123 99 THR 99 .2423 999.9900 -.8810 999.9900 .4476 -.0637 .7065 .7064 .7065 .2444 100 VAL 100 -.3548 999.9900 -1.0788 999.9900 .7810 -.2175 .7067 .7061 .7064 .1521 101 GLY 101 -1.0419 999.9900 999.9900 999.9900 .7883 -.1268 .7052 .7046 .7049 .2890 102 ILE 102 -1.4952 -2.4201 999.9900 999.9900 1.0081 -.9690 .7070 .7066 .7067 -.2987 103 VAL 103 .1158 999.9900 -.2457 999.9900 .7810 .2170 .7070 .7061 .7065 .4128 104 ARG 104 -.4945 -1.0274 999.9900 1.0856 .8581 .3015 .7065 .7029 .7044 .4167 105 GLU 105 -.5648 .8592 999.9900 -1.0323 .6899 -.0120 .7066 .7035 .7048 .2270 106 ASP 106 -.2149 -2.0928 999.9900 999.9900 .8104 -.4991 .7063 .7038 .7048 -.0174 107 ASN 107 -.6706 -.4258 999.9900 999.9900 .6279 -.1561 .7067 .7028 .7044 .1882 108 SER 108 -2.1138 999.9900 -.7153 999.9900 .6705 -.7195 .7052 .7032 .7040 -.1500 109 GLU 109 -1.0793 .6194 999.9900 .3501 .6899 .1450 .7063 .7028 .7043 .3315 110 LYS 110 -.3038 -.8530 999.9900 .2495 .8827 .0450 .7064 .7026 .7042 .2334 111 MET 111 -.4670 -2.5481 999.9900 .9587 .4206 -.4090 .7063 .7029 .7043 -.0378 112 ALA 112 -.9131 999.9900 999.9900 999.9900 .7458 -.0837 .7065 .7043 .7052 .3109 113 VAL 113 -.7132 999.9900 -1.0788 999.9900 .8960 -.2986 .7062 .7043 .7051 .1029 114 LYS 114 -.3038 -1.5918 999.9900 -.4035 .7460 -.3913 .7068 .7028 .7045 -.0782 115 THR 115 -.0676 999.9900 -.2947 999.9900 .7246 .1207 .7068 .7055 .7060 .3549 116 TYR 116 .6244 .2551 999.9900 999.9900 .8158 .5651 .7063 .7040 .7049 .6211 117 MET 117 -.5247 -1.7864 999.9900 .9587 .5203 -.2080 .7052 .7035 .7042 .0961 118 TRP 118 -.2452 -3.3859 999.9900 999.9900 .9378 -.8978 .7065 .7036 .7048 -.2566 119 ILE 119 .6852 -1.5793 999.9900 999.9900 .6034 -.0969 .7067 .7062 .7064 .2244 120 ASN 120 1.1272 -.2320 999.9900 999.9900 .8079 .5677 .7065 .7020 .7038 .6223 121 LYS 121 -1.3259 .0465 999.9900 -.4035 .8827 -.2407 .7067 .7031 .7046 .0295 122 ALA 122 -2.1491 999.9900 999.9900 999.9900 .7458 -.7016 .7067 .7049 .7057 .0021 123 ASP 123 -.6569 -2.3194 999.9900 999.9900 .8104 -.7220 .7069 .6553 .6768 -.1608 124 PRO 124 -.1156 999.9900 999.9900 999.9900 .9143 .3993 .7064 .6110 .6508 .5290 125 ASP 125 -2.8635 .7430 999.9900 999.9900 .8104 -.4367 .7069 .7037 .7050 .0201 126 MET 126 -2.6662 -2.5481 999.9900 .9587 .5203 -.9338 .7064 .7037 .7048 -.3875 127 PHE 127 -1.2843 -1.2232 999.9900 999.9900 .7573 -.5834 .7062 .7024 .7039 -.0683 128 GLY 128 -2.4582 999.9900 999.9900 999.9900 .8277 -.8153 .7056 .7053 .7054 -.0549 129 GLU 129 -.3633 -1.1891 999.9900 -1.0323 .6899 -.4737 .7046 .7037 .7041 -.0811 130 TRP 130 -.2197 -3.3859 999.9900 999.9900 .9378 -.8893 .7064 .7041 .7050 -.2515 131 ASN 131 -2.0408 -1.2512 999.9900 999.9900 .7518 -.8467 .7062 .7026 .7041 -.2263 132 PHE 132 1.0502 -4.3038 999.9900 999.9900 .7573 -.8321 .7058 .7032 .7043 -.2175 133 GLU 133 .7157 -.3402 999.9900 -1.0323 .3568 -.0750 .7065 .7028 .7043 .1849 134 GLU 134 .8604 -2.3808 999.9900 -1.0323 .6899 -.4657 .7051 .7027 .7037 -.0758 135 TRP 135 .8412 -1.6686 999.9900 999.9900 .9378 .0368 .7061 .7043 .7050 .3042 136 LYS 136 .7090 -2.4344 999.9900 .2495 .7460 -.0961 .7064 .7012 .7034 .1325 137 ARG 137 .6323 -.3171 999.9900 .6901 .8581 .5107 .7062 .7027 .7042 .5661 138 LEU 138 -.2213 -1.6805 999.9900 999.9900 .8331 -.3562 .7061 .7021 .7038 .0679 139 HIS 139 -.4783 -3.1083 999.9900 999.9900 .6686 -.9727 .7065 .7033 .7047 -.3016 140 LYS 140 .8536 -.1697 999.9900 -.4035 .8827 .1519 .7068 .7023 .7042 .3098 141 LYS 141 -.1232 -1.2293 999.9900 .3240 .8827 .0357 .7064 .7022 .7039 .2267 142 LYS 142 .9451 .8596 999.9900 -.4035 .7460 .3487 .7066 .7021 .7040 .4503 143 PHE 143 -.0639 -.7766 999.9900 999.9900 .7573 -.0277 .7067 .7038 .7050 .2655 144 ILE 144 .0556 -.0177 999.9900 999.9900 .6034 .2137 .7066 .7058 .7061 .4107 145 GLU 145 -.1187 -.3719 999.9900 .3501 .6899 .1373 .7060 .7015 .7034 .3261 146 THR 146 -.3004 999.9900 .8779 999.9900 .4476 .3417 .7063 .7061 .7062 .4875 147 PHE 147 .7405 -4.3038 999.9900 999.9900 .7573 -.9353 .7066 .7028 .7044 -.2793 148 LYS 148 1.0429 -2.9005 999.9900 -.4035 .8827 -.3564 .7069 .7024 .7043 -.0532 149 LYS 149 .6780 .0031 999.9900 -.4035 .8827 .1514 .7066 .7017 .7037 .3093 150 ILE 150 1.0067 .2838 999.9900 999.9900 1.0081 .7662 .7066 .7056 .7060 .7422 151 MET 151 .1537 -1.3058 999.9900 .9587 .5203 .0817 .7068 .7025 .7043 .2894 152 GLU 152 .6116 -2.8418 999.9900 -1.0323 .6899 -.6432 .7056 .7023 .7037 -.1941 153 CYS 153 .8322 999.9900 .1296 999.9900 .9108 .6242 .7062 .7029 .7043 .6563 154 LYS 154 .8536 .1621 999.9900 .4411 .8827 .5561 .7065 .7034 .7047 .5987 155 LYS 155 -3.5196 -2.4344 999.9900 -.4035 .8827 -1.1757 .7068 .7019 .7039 -.6385 156 LYS 156 -.8813 -.1933 999.9900 -.4035 .8827 -.1998 .7069 .6630 .6813 .0530 157 PRO 157 -2.2417 999.9900 999.9900 999.9900 .4496 -.8960 .7062 .6007 .6446 -.1213 158 GLN 158 -1.8275 -2.6982 999.9900 1.3059 .5113 -.6771 .7058 .7030 .7042 -.2166 159 GLY 159 -1.1293 999.9900 999.9900 999.9900 .8277 -.1508 .7065 .7045 .7054 .2773 160 GLN 160 -.5591 -2.6982 999.9900 1.3059 .5113 -.3600 .7060 .7032 .7043 -.0052 161 GLY 161 -1.4779 999.9900 999.9900 999.9900 .8277 -.3251 .7066 .7056 .7060 .1905 162 ASN 162 -1.6439 -1.7113 999.9900 999.9900 .7518 -.8678 .7056 .7032 .7042 -.2389 163 ASP 163 -1.0430 -2.8653 999.9900 999.9900 .8104 -1.0326 .7057 .7043 .7049 -.3376 164 ASP 164 -1.0430 -1.0010 999.9900 999.9900 .8104 -.4112 .7056 .7035 .7044 .0351 165 ILE 165 -1.3847 -1.0451 999.9900 999.9900 .4912 -.6462 .7069 .7055 .7061 -.1052 166 SER 166 -1.7311 999.9900 -.7153 999.9900 .6705 -.5920 .7061 .7020 .7037 -.0736 167 HIS 167 -1.7665 -3.1083 999.9900 999.9900 .6686 -1.4021 .7065 .7021 .7040 -.5595 168 VAL 168 .0764 999.9900 -1.0788 999.9900 .7810 -.0738 .7060 .7053 .7056 .2380 169 LEU 169 -.3571 -2.9612 999.9900 999.9900 .9565 -.7873 .7066 .7026 .7043 -.1905 170 ARG 170 -2.9267 -1.8960 999.9900 .6901 .8581 -.5169 .7058 .7017 .7034 -.1681 171 GLU 171 -2.0601 -2.3808 999.9900 -1.0323 .6899 -1.1958 .7059 .7037 .7046 -.5623 172 ASP 172 -3.3417 -1.0785 999.9900 999.9900 .8104 -1.2033 .7058 .7037 .7045 -.4401 173 GLN 173 999.9900 -2.6982 999.9900 1.3059 999.9900 -.6962 .7067 .7007 .7033 .0038 Means: -.6770 -1.5670 -.2877 .1606 .7393 -.2982 .7063 .6979 .7014 .0805 2.00 analyzed_11