1 GLY 1 999.9900 999.9900 999.9900 999.9900 .7883 .7883 .7064 .7061 .7063 .7336 2 HIS 2 -3.0884 .0958 999.9900 999.9900 .6686 -.7746 .7062 .7036 .7047 -.1828 3 HIS 3 -3.0884 -1.7284 999.9900 999.9900 .6686 -1.3827 .7064 .7036 .7048 -.5476 4 HIS 4 -3.0884 -2.0147 999.9900 999.9900 .6686 -1.4782 .7056 .7038 .7046 -.6050 5 HIS 5 -.4447 -2.0147 999.9900 999.9900 .6686 -.5970 .7057 .7038 .7046 -.0763 6 HIS 6 -1.9498 -3.1083 999.9900 999.9900 .6686 -1.4632 .7057 .7026 .7039 -.5962 7 HIS 7 -1.7665 -3.1083 999.9900 999.9900 .6686 -1.4021 .7068 .7037 .7050 -.5592 8 LEU 8 -1.9664 -.6635 999.9900 999.9900 .9565 -.5578 .7053 .7019 .7033 -.0532 9 GLU 9 -3.2255 -2.3808 999.9900 -1.0323 .6899 -1.4872 .7064 .7028 .7043 -.7566 10 CYS 10 -2.1588 999.9900 .1296 999.9900 .4013 -.5426 .7067 .7033 .7047 -.0436 11 SER 11 -.6802 999.9900 .6576 999.9900 .8922 .2899 .7068 .7030 .7046 .4559 12 SER 12 -.4057 999.9900 -.7153 999.9900 .6705 -.1502 .7069 .7031 .7047 .1919 13 ASP 13 -3.3417 -2.0928 999.9900 999.9900 .7118 -1.5742 .7067 .7037 .7050 -.6625 14 SER 14 -1.7828 999.9900 -.7153 999.9900 .6705 -.6092 .7068 .7016 .7038 -.0838 15 LEU 15 -1.8089 -2.4128 999.9900 999.9900 .8331 -1.1295 .7066 .7024 .7041 -.3959 16 GLN 16 -3.1236 -2.6982 999.9900 1.3059 .5113 -1.0012 .7063 .7031 .7045 -.4325 17 LEU 17 -.4930 .2036 999.9900 999.9900 .8331 .1812 .7059 .7033 .7044 .3906 18 HIS 18 -.5497 -1.3248 999.9900 999.9900 .6686 -.4020 .7066 .7039 .7050 .0409 19 ASN 19 -.7163 -.6268 999.9900 999.9900 .7518 -.1971 .7064 .7033 .7046 .1637 20 VAL 20 -.0463 999.9900 -.0276 999.9900 .7810 .2357 .7065 .7060 .7062 .4239 21 PHE 21 -.0400 .3192 999.9900 999.9900 .7573 .3455 .7063 .7025 .7041 .4891 22 VAL 22 -1.2206 999.9900 -1.0788 999.9900 .8778 -.4738 .7062 .7057 .7059 -.0019 23 TYR 23 -3.6999 -1.5559 999.9900 999.9900 .5630 -1.5643 .7056 .7020 .7035 -.6571 24 GLY 24 -3.4864 999.9900 999.9900 999.9900 .8897 -1.2983 .7061 .7056 .7058 -.2962 25 SER 25 .8349 999.9900 -.0289 999.9900 .8922 .5661 .7060 .7031 .7043 .6215 26 PHE 26 -3.0756 .0765 999.9900 999.9900 .7573 -.7472 .7060 .7027 .7041 -.1666 27 GLN 27 .1338 -1.9601 999.9900 1.3059 .5113 -.0023 .7067 .7029 .7045 .2334 28 ASP 28 -.6028 -1.6521 999.9900 999.9900 .8104 -.4815 .7066 .6561 .6771 -.0164 29 PRO 29 -.1156 999.9900 999.9900 999.9900 .4496 .1670 .7066 .6089 .6496 .4124 30 ASP 30 1.0149 -.4801 999.9900 999.9900 .8104 .4484 .7060 .7036 .7046 .5510 31 VAL 31 .3707 999.9900 -1.0788 999.9900 .8960 .0626 .7064 .7053 .7058 .3199 32 ILE 32 1.0067 -1.0628 999.9900 999.9900 .6034 .1824 .7067 .7062 .7064 .3920 33 ASN 33 1.1117 -.6730 999.9900 999.9900 .8079 .4155 .7060 .7023 .7039 .5310 34 VAL 34 -.2954 999.9900 -.5532 999.9900 .7810 -.0225 .7068 .7050 .7057 .2688 35 MET 35 .5476 -2.5481 999.9900 .9587 .5203 -.1304 .7062 .7031 .7044 .1480 36 LEU 36 -3.7702 -2.9612 999.9900 999.9900 .8331 -1.9661 .7067 .7031 .7046 -.8977 37 ASP 37 -3.3417 -2.8653 999.9900 999.9900 .8104 -1.7989 .7071 .7033 .7049 -.7973 38 ARG 38 -1.6049 -1.1946 999.9900 .1593 .6728 -.3616 .7060 .7026 .7040 -.0571 39 THR 39 -.4672 999.9900 -.8810 999.9900 .9813 -.1223 .7064 .6571 .6776 .1993 40 PRO 40 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7064 .6113 .6509 .5468 41 GLU 41 -.6811 -1.6501 999.9900 1.7325 .6899 .0228 .7063 .7032 .7045 .2501 42 ILE 42 -.2252 -2.2551 999.9900 999.9900 1.0081 -.4907 .7068 .7063 .7065 -.0118 43 VAL 43 .0764 999.9900 -1.0788 999.9900 .8778 -.0415 .7069 .7062 .7065 .2577 44 SER 44 -.7578 999.9900 .3727 999.9900 .7781 .1310 .7065 .7036 .7048 .3606 45 ALA 45 -.5509 999.9900 999.9900 999.9900 .8416 .1454 .7061 .7049 .7054 .4254 46 THR 46 .5084 999.9900 .8779 999.9900 .4476 .6113 .7068 .7059 .7063 .6493 47 LEU 47 -2.5767 -.7461 999.9900 999.9900 .9565 -.7888 .7068 .6592 .6790 -.2001 48 PRO 48 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7060 .6143 .6525 .5474 49 GLY 49 1.0314 999.9900 999.9900 999.9900 .8277 .9295 .7067 .7053 .7059 .8178 50 PHE 50 -.0803 -.1548 999.9900 999.9900 .7573 .1741 .7049 .7026 .7036 .3860 51 GLN 51 -.3431 -2.6982 999.9900 1.3059 .7898 -.2364 .7070 .7026 .7044 .0773 52 ARG 52 -.3214 .7037 999.9900 .1593 .8581 .3118 .7067 .7016 .7038 .4239 53 PHE 53 .1032 -1.7109 999.9900 999.9900 .8629 -.2483 .7066 .7030 .7045 .1330 54 ARG 54 -.0990 -.1311 999.9900 1.0005 .8581 .5258 .7067 .7025 .7043 .5769 55 LEU 55 -3.7702 -2.9612 999.9900 999.9900 .8331 -1.9661 .7061 .7030 .7043 -.8978 56 LYS 56 -2.2985 .5334 999.9900 -.0397 .7460 -.2197 .7058 .7021 .7036 .0442 57 GLY 57 -2.1575 999.9900 999.9900 999.9900 .8277 -.6649 .7069 .7051 .7059 .0205 58 ARG 58 -1.6049 -2.3766 999.9900 .1593 .8581 -.5609 .7062 .7031 .7044 -.1993 59 LEU 59 -.4930 .5315 999.9900 999.9900 .9565 .3317 .7064 .7025 .7041 .4808 60 TYR 60 -.5773 -2.9749 999.9900 999.9900 .5630 -.9964 .7065 .6539 .6758 -.3258 61 PRO 61 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .7063 .6127 .6517 -.1370 62 CYS 62 -.8048 999.9900 .1296 999.9900 .9108 .0785 .7063 .7037 .7048 .3291 63 ILE 63 -1.1094 -.0414 999.9900 999.9900 .6034 -.1825 .7065 .7054 .7059 .1729 64 VAL 64 -.8680 999.9900 .1416 999.9900 .7810 .0182 .7070 .6602 .6797 .2844 65 PRO 65 .3744 999.9900 999.9900 999.9900 .6931 .5337 .7066 .6122 .6515 .5966 66 SER 66 .0184 999.9900 .6576 999.9900 .6705 .4488 .7067 .7028 .7044 .5512 67 GLU 67 .6116 -.9977 999.9900 .3501 .6899 .1635 .7065 .7024 .7041 .3438 68 LYS 68 -3.5196 .2033 999.9900 -.0397 .7460 -.5299 .7066 .7028 .7043 -.1772 69 GLY 69 -1.2645 999.9900 999.9900 999.9900 .7883 -.2381 .7055 .7048 .7051 .2335 70 GLU 70 -.4325 -.6748 999.9900 .3501 .6899 -.0168 .7061 .7021 .7037 .2235 71 VAL 71 .4077 999.9900 .9224 999.9900 .7810 .7037 .7065 .7061 .7063 .7047 72 HIS 72 -.5132 -.3484 999.9900 999.9900 .6686 -.0643 .7054 .7031 .7040 .2431 73 GLY 73 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .7068 .7058 .7062 -.1929 74 LYS 74 -.3223 -2.1617 999.9900 -.0770 .8827 -.3511 .7070 .7032 .7048 -.0493 75 VAL 75 .5332 999.9900 -.5532 999.9900 .7810 .2537 .7067 .7055 .7060 .4346 76 LEU 76 -.7094 -1.8410 999.9900 999.9900 .8331 -.5724 .7069 .7040 .7052 -.0613 77 MET 77 -.5247 -.7184 999.9900 .9587 .5203 .0590 .7056 .7036 .7044 .2742 78 GLY 78 .1123 999.9900 999.9900 999.9900 .7883 .4503 .7067 .7051 .7059 .5781 79 VAL 79 -.6207 999.9900 -1.0788 999.9900 .7810 -.3061 .7064 .7055 .7059 .0987 80 THR 80 -.3368 999.9900 -.8810 999.9900 .7246 -.1644 .7054 .7064 .7060 .1837 81 SER 81 .7360 999.9900 -.7153 999.9900 .6705 .2304 .7066 .7023 .7041 .4200 82 ASP 82 1.1359 -2.1980 999.9900 999.9900 .7118 -.1168 .7060 .7036 .7046 .2119 83 GLU 83 1.0761 .2661 999.9900 1.1588 .6899 .7977 .7067 .7027 .7044 .7667 84 LEU 84 .8182 .3261 999.9900 999.9900 .9565 .7003 .7062 .7030 .7043 .7020 85 GLU 85 .8733 -2.1111 999.9900 .3501 .6899 -.0495 .7061 .7024 .7039 .2018 86 ASN 86 1.0488 -3.3254 999.9900 999.9900 .7518 -.5083 .7060 .7027 .7041 -.0232 87 LEU 87 .9913 .6031 999.9900 999.9900 .8331 .8092 .7060 .7035 .7045 .7674 88 ASP 88 1.1285 -.7683 999.9900 999.9900 .8104 .3902 .7070 .7039 .7052 .5163 89 ALA 89 -.5981 999.9900 999.9900 999.9900 .7458 .0739 .7067 .7050 .7057 .3899 90 VAL 90 .2188 999.9900 .4980 999.9900 .7810 .4993 .7067 .7061 .7063 .5821 91 GLU 91 -.1289 -2.1111 999.9900 -1.0323 .6899 -.6456 .7062 .7033 .7045 -.1955 92 GLY 92 -.3460 999.9900 999.9900 999.9900 .8277 .2408 .7062 .7055 .7058 .4733 93 ASN 93 .1528 -1.3461 999.9900 999.9900 .7518 -.1472 .7064 .7038 .7049 .1938 94 GLU 94 -2.8104 -.9977 999.9900 -1.0323 .3568 -1.1209 .7060 .7024 .7039 -.5125 95 TYR 95 -.0390 .3565 999.9900 999.9900 .5630 .2935 .7061 .7023 .7039 .4577 96 GLU 96 -.5863 -.4964 999.9900 1.1588 .6899 .1915 .7064 .7031 .7045 .3626 97 ARG 97 -.4945 -.3536 999.9900 .1593 .8581 .0657 .7070 .7032 .7048 .2484 98 VAL 98 -.0582 999.9900 -1.0788 999.9900 .7810 -.1186 .7058 .7057 .7057 .2111 99 THR 99 .0466 999.9900 -.8810 999.9900 .4476 -.1289 .7060 .7056 .7058 .2050 100 VAL 100 -.3548 999.9900 -.2457 999.9900 .7810 .0602 .7059 .7059 .7059 .3185 101 GLY 101 -.9159 999.9900 999.9900 999.9900 .7883 -.0638 .7056 .7054 .7055 .3208 102 ILE 102 -.7823 -2.2551 999.9900 999.9900 1.0081 -.6764 .7055 .7056 .7056 -.1236 103 VAL 103 .1158 999.9900 .2799 999.9900 .7810 .3922 .7068 .7057 .7061 .5178 104 ARG 104 -1.1554 -2.0954 999.9900 .6901 .8581 -.2025 .7067 .7031 .7046 .0567 105 GLU 105 -.2702 1.0486 999.9900 -1.0323 .6899 .1090 .7067 .7031 .7046 .3076 106 ASP 106 -1.1493 -1.5978 999.9900 999.9900 .8104 -.6456 .7061 .7044 .7051 -.1052 107 ASN 107 -3.4329 -2.7010 999.9900 999.9900 .6279 -1.8353 .7067 .7020 .7039 -.8195 108 SER 108 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .7055 .7023 .7036 -.4794 109 GLU 109 -.4269 -1.3104 999.9900 -1.0323 .6899 -.5199 .7059 .7024 .7038 -.1119 110 LYS 110 -.3350 -1.9682 999.9900 -.4035 .8827 -.4455 .7059 .7027 .7041 -.1170 111 MET 111 -.5247 -1.1990 999.9900 .9587 .5203 -.0612 .7068 .7029 .7045 .1942 112 ALA 112 -.9131 999.9900 999.9900 999.9900 .7458 -.0837 .7063 .7056 .7059 .3111 113 VAL 113 -.7132 999.9900 -1.0788 999.9900 .7810 -.3370 .7066 .7046 .7055 .0801 114 LYS 114 -.4232 -.3256 999.9900 -.0397 .7460 -.0165 .7060 .7022 .7038 .1894 115 THR 115 -.0676 999.9900 .0483 999.9900 .7246 .2351 .7065 .7064 .7065 .4236 116 TYR 116 .4225 .2551 999.9900 999.9900 .8158 .4978 .7054 .7029 .7039 .5804 117 MET 117 -.5247 -1.7864 999.9900 .9587 .5203 -.2080 .7047 .7030 .7037 .0959 118 TRP 118 .1017 -3.3859 999.9900 999.9900 .9378 -.7821 .7070 .7040 .7052 -.1871 119 ILE 119 .6852 -1.6252 999.9900 999.9900 .6034 -.1122 .7066 .7063 .7064 .2153 120 ASN 120 -.6931 -.7732 999.9900 999.9900 .8079 -.2195 .7065 .7018 .7038 .1500 121 LYS 121 -1.8854 .1550 999.9900 -.4035 .8827 -.3309 .7065 .7025 .7042 -.0351 122 ALA 122 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .7066 .7050 .7057 -.3268 123 ASP 123 -.0929 -3.7306 999.9900 999.9900 .8104 -1.0043 .7066 .6522 .6748 -.3309 124 PRO 124 -.1497 999.9900 999.9900 999.9900 .9143 .3823 .7062 .6216 .6568 .5231 125 ASP 125 -2.3854 .5924 999.9900 999.9900 .8104 -.3275 .7066 .7042 .7052 .0857 126 MET 126 -.7108 -2.0676 999.9900 .9587 .8447 -.2438 .7069 .7025 .7043 .0724 127 PHE 127 -3.6149 -1.8165 999.9900 999.9900 .7573 -1.5580 .7062 .7021 .7038 -.6531 128 GLY 128 -.2180 999.9900 999.9900 999.9900 .8277 .3048 .7063 .7046 .7054 .5051 129 GLU 129 -.5239 -.8834 999.9900 -1.0323 .6899 -.4374 .7057 .7024 .7038 -.0569 130 TRP 130 -.4195 -3.3859 999.9900 999.9900 .9378 -.9559 .7056 .7037 .7045 -.2916 131 ASN 131 -1.7258 1.2520 999.9900 999.9900 .7518 .0927 .7065 .7032 .7045 .3375 132 PHE 132 .6090 -.5590 999.9900 999.9900 .7573 .2691 .7057 .7029 .7040 .4432 133 GLU 133 .7157 -2.1111 999.9900 -1.0323 .6899 -.4345 .7066 .7032 .7046 -.0547 134 GLU 134 .8733 -.8169 999.9900 1.7325 .6899 .6197 .7041 .7030 .7034 .6476 135 TRP 135 .5979 -1.6686 999.9900 999.9900 .9378 -.0443 .7064 .7031 .7045 .2554 136 LYS 136 .9451 -2.4344 999.9900 .3546 .7460 -.0068 .7065 .7025 .7041 .1964 137 ARG 137 .9011 -2.0954 999.9900 .1593 .8581 -.0035 .7060 .7026 .7040 .1987 138 LEU 138 .2872 -1.0593 999.9900 999.9900 .8331 .0203 .7064 .7020 .7038 .2939 139 HIS 139 .4898 -2.4183 999.9900 999.9900 .6686 -.4200 .7052 .7033 .7041 .0297 140 LYS 140 .2805 -.1697 999.9900 .4411 .8827 .3752 .7065 .7024 .7041 .4693 141 LYS 141 -.1232 -.2178 999.9900 -.4035 .8827 -.0531 .7059 .7027 .7041 .1633 142 LYS 142 .9451 -2.1617 999.9900 .9312 .7460 .2784 .7068 .7023 .7042 .4001 143 PHE 143 -.0639 -3.3183 999.9900 999.9900 .7573 -.8750 .7065 .7034 .7047 -.2430 144 ILE 144 .0556 -.0177 999.9900 999.9900 1.0081 .3487 .7068 .7059 .7063 .4917 145 GLU 145 -.1187 -1.4588 999.9900 -1.0323 .3568 -.5633 .7068 .7033 .7047 -.1405 146 THR 146 -.3004 999.9900 .2916 999.9900 .4476 .1463 .7066 .7062 .7064 .3703 147 PHE 147 .7405 -4.3038 999.9900 999.9900 .7573 -.9353 .7068 .7023 .7042 -.2794 148 LYS 148 1.0429 -.1697 999.9900 -.4035 .8827 .1898 .7065 .7026 .7042 .3368 149 LYS 149 .6780 -.9951 999.9900 .4411 .8827 .2896 .7062 .7025 .7041 .4081 150 ILE 150 .4667 .6227 999.9900 999.9900 1.0081 .6992 .7069 .7060 .7064 .7021 151 MET 151 .8064 -2.5481 999.9900 .9587 .5203 -.0657 .7061 .7035 .7046 .1911 152 GLU 152 .6833 -.9574 999.9900 .3501 .3568 .1082 .7067 .7041 .7052 .3072 153 CYS 153 .6740 999.9900 .1296 999.9900 .9108 .5715 .7065 .7032 .7045 .6248 154 LYS 154 1.0429 -.8858 999.9900 .3546 .7460 .3225 .7066 .7028 .7044 .4317 155 LYS 155 -1.7210 .5334 999.9900 -.0397 .8827 -.0769 .7066 .7022 .7040 .1463 156 LYS 156 -3.0472 -1.5020 999.9900 -.4035 .8827 -.8947 .7066 .6508 .6741 -.4452 157 PRO 157 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7061 .6027 .6457 .5445 158 GLN 158 -2.2003 -2.6982 999.9900 1.3059 .5113 -.7703 .7052 .7038 .7044 -.2787 159 GLY 159 -.8286 999.9900 999.9900 999.9900 .8277 -.0005 .7066 .7047 .7055 .3526 160 GLN 160 -2.0516 -2.6982 999.9900 1.3059 .5113 -.7332 .7066 .7032 .7046 -.2538 161 GLY 161 -1.5840 999.9900 999.9900 999.9900 .8277 -.3782 .7067 .7053 .7059 .1639 162 ASN 162 -2.3558 -3.3254 999.9900 999.9900 .8079 -1.6244 .7064 .7027 .7042 -.6928 163 ASP 163 -2.8635 -1.8420 999.9900 999.9900 .8104 -1.2984 .7058 .7035 .7045 -.4972 164 ASP 164 -3.3417 -.9304 999.9900 999.9900 .8104 -1.1539 .7058 .7043 .7049 -.4103 165 ILE 165 -2.6050 -1.1818 999.9900 999.9900 .6034 -1.0612 .7066 .7065 .7066 -.3541 166 SER 166 -.2251 999.9900 -.7153 999.9900 .6705 -.0900 .7065 .7022 .7040 .2278 167 HIS 167 -1.6168 -3.1083 999.9900 999.9900 .6686 -1.3522 .7066 .7035 .7048 -.5293 168 VAL 168 -2.3041 999.9900 -.0276 999.9900 .7810 -.5169 .7069 .7063 .7065 -.0275 169 LEU 169 -3.7702 -2.5464 999.9900 999.9900 .9565 -1.7867 .7070 .7036 .7050 -.7899 170 ARG 170 -1.3837 -1.7413 999.9900 .7862 .8581 -.1389 .7056 .7028 .7040 .1020 171 GLU 171 -2.3953 .6046 999.9900 1.1588 .6899 .0145 .7050 .7023 .7034 .2442 172 ASP 172 -1.8260 -2.4630 999.9900 999.9900 .8104 -1.1595 .7065 .7039 .7050 -.4136 173 GLN 173 999.9900 -1.7668 999.9900 1.3059 999.9900 -.2305 .7066 .7012 .7035 .2367 Means: -.7560 -1.3596 -.2725 .2767 .7457 -.2611 .7063 .6979 .7014 .1035 2.00 analyzed_2