1 MET 999.900 .329 .483 .514 999.900 .498 16.024 18.243 999.90 -1.50 999.90 -1.50 2 GLY .367 .408 999.900 999.900 .387 999.900 13.518 .000 -2.03 999.90 999.90 -2.03 3 HIS .600 .196 .310 .720 .365 .473 11.347 12.403 -2.21 -2.03 999.90 -2.12 4 HIS .294 .450 .525 .840 .367 .646 9.274 10.275 -1.81 -2.36 999.90 -2.08 5 HIS .731 .101 .811 .949 .336 .861 7.649 8.830 39.63 -2.09 999.90 18.77 6 HIS .283 .258 .285 .816 .271 .478 5.705 6.969 -1.75 -2.18 999.90 -1.97 7 HIS .412 .179 .598 .881 .286 .704 4.450 6.126 -1.57 -2.16 999.90 -1.87 8 HIS .469 .308 .728 .676 .383 .701 3.447 5.350 -1.97 -2.55 999.90 -2.26 9 LEU .514 .247 .660 .217 .367 .397 3.123 4.556 -2.42 -2.22 999.90 -2.32 10 GLU .195 .270 .273 .459 .231 .359 3.224 5.039 -1.76 -1.34 999.90 -1.55 11 MET .306 .087 .483 .371 .189 .424 3.272 5.528 -1.77 -1.95 999.90 -1.86 12 ALA .414 .160 999.900 999.900 .276 999.900 3.676 4.197 -2.01 999.90 999.90 -2.01 13 SER .204 .141 .741 999.900 .172 999.900 3.452 4.547 -1.93 999.90 -.29 -1.11 14 GLU .303 .414 .223 .397 .356 .304 3.353 4.024 -2.14 -1.80 999.90 -1.97 15 GLU .308 .002 .843 .681 .141 .748 3.035 3.789 -2.66 -1.55 999.90 -2.10 16 GLY .007 .004 999.900 999.900 .006 999.900 2.860 .000 .93 999.90 999.90 .93 17 GLN .012 .001 .030 .321 .007 .163 2.562 3.207 -.49 -2.41 999.90 -1.45 18 VAL .015 .003 .389 999.900 .009 999.900 2.299 2.138 -.08 999.90 -.40 -.24 19 ILE .012 .002 .004 .258 .007 .122 2.153 2.575 -.40 -.69 999.90 -.54 20 ALA .002 .010 999.900 999.900 .006 999.900 2.278 2.275 -.85 999.90 999.90 -.85 21 CYS .006 .001 .007 999.900 .003 999.900 2.301 2.174 -.43 999.90 .32 -.06 22 HIS .002 .002 .006 .163 .002 .081 2.715 2.999 -.87 .39 999.90 -.24 23 THR .000 .002 .005 999.900 .001 999.900 2.504 2.871 -.67 999.90 -.56 -.61 24 VAL .001 .002 .363 999.900 .001 999.900 2.325 2.525 .43 999.90 -.66 -.11 25 GLU .002 .002 .003 .427 .002 .187 2.526 3.033 .80 -1.72 999.90 -.46 26 THR .001 .001 .004 999.900 .001 999.900 2.406 2.728 .88 999.90 .35 .62 27 TRP .000 .001 .005 .010 .000 .008 1.932 1.510 .80 -1.65 999.90 -.42 28 ASN .002 .001 .006 .084 .002 .044 1.914 1.906 1.05 -2.32 999.90 -.64 29 GLU .000 .001 .006 .218 .001 .106 2.287 3.133 .79 -.96 999.90 -.09 30 GLN .001 .000 .010 .199 .001 .099 2.126 2.464 .76 -2.63 999.90 -.93 31 LEU .001 .000 .000 .002 .000 .001 1.761 1.322 .90 -1.91 999.90 -.50 32 GLN .000 .001 .090 .311 .000 .193 2.087 2.517 .78 -1.36 999.90 -.29 33 LYS .001 .000 .038 .247 .001 .136 2.415 3.134 .88 -.91 999.90 -.02 34 ALA .000 .002 999.900 999.900 .001 999.900 2.146 1.963 .04 999.90 999.90 .04 35 ASN .001 .000 .000 .559 .001 .227 2.071 1.882 .30 -1.87 999.90 -.78 36 GLU .000 .000 .154 .360 .000 .250 2.548 3.042 .16 -.59 999.90 -.22 37 SER .002 .003 .067 999.900 .002 999.900 2.752 3.021 -.44 999.90 -.68 -.56 38 LYS .002 .002 .001 .002 .002 .002 2.535 3.034 -1.28 -1.32 999.90 -1.30 39 THR .006 .000 .000 999.900 .003 999.900 2.175 2.562 -.31 999.90 -.88 -.59 40 LEU .006 .000 .315 .187 .003 .248 1.907 2.318 -.19 -3.14 999.90 -1.66 41 VAL .002 .008 .008 999.900 .005 999.900 1.268 1.238 .19 999.90 -1.05 -.43 42 VAL .005 .004 .111 999.900 .005 999.900 .978 1.288 .31 999.90 -.34 -.02 43 VAL .003 .000 .020 999.900 .001 999.900 .541 .702 -.09 999.90 .06 -.01 44 ASP .002 .006 .126 .274 .004 .197 .716 1.412 -.35 -.67 999.90 -.51 45 PHE .007 .008 .006 .288 .007 .135 .960 1.453 -.17 -.04 999.90 -.10 46 THR .005 .003 .038 999.900 .004 999.900 1.519 1.503 -.15 999.90 -.85 -.50 47 ALA .000 .009 999.900 999.900 .005 999.900 2.024 2.191 -.68 999.90 999.90 -.68 48 SER .000 .001 .353 999.900 .001 999.900 2.635 3.043 .71 999.90 -.38 .16 49 TRP .002 .001 .012 .125 .002 .067 2.674 3.074 -1.22 -2.50 999.90 -1.86 50 CYS .000 .008 .014 .024 .004 .019 2.126 1.789 -1.01 -1.98 999.90 -1.50 51 GLY .029 .005 999.900 999.900 .017 999.900 1.802 .000 -2.09 999.90 999.90 -2.09 52 PRO .000 .003 999.900 999.900 .002 999.900 1.497 1.801 -.68 999.90 999.90 -.68 53 CYS .002 .001 .065 .085 .002 .075 1.348 1.625 .51 -1.58 999.90 -.53 54 ARG .000 .000 .025 .361 .000 .176 1.449 2.856 .59 -.90 999.90 -.15 55 PHE .009 .004 .004 .200 .007 .097 1.371 1.735 -.64 -.88 999.90 -.76 56 ILE .004 .002 .023 .102 .003 .062 1.257 1.206 -1.48 -2.64 999.90 -2.06 57 ALA .001 .001 999.900 999.900 .001 999.900 1.497 1.517 .51 999.90 999.90 .51 58 PRO .000 .000 999.900 999.900 .000 999.900 1.853 1.817 -1.11 999.90 999.90 -1.11 59 PHE .000 .001 .003 .200 .001 .096 1.765 2.039 .83 -1.64 999.90 -.40 60 PHE .000 .001 .078 .067 .001 .073 1.664 1.550 .67 -1.05 999.90 -.19 61 ALA .002 .002 999.900 999.900 .002 999.900 2.097 2.081 .53 999.90 999.90 .53 62 ASP .003 .003 .003 .405 .003 .179 2.377 2.789 1.05 -1.68 999.90 -.31 63 LEU .002 .006 .087 .118 .004 .102 2.298 2.257 .58 -2.45 999.90 -.93 64 ALA .003 .005 999.900 999.900 .004 999.900 2.412 2.197 .66 999.90 999.90 .66 65 LYS .003 .003 .114 .182 .003 .147 2.809 3.475 .17 -.85 999.90 -.34 66 LYS .009 .006 .141 .376 .008 .249 2.797 3.220 .06 -1.33 999.90 -.63 67 LEU .051 .067 .032 .177 .059 .101 2.690 2.912 -1.48 -2.34 999.90 -1.91 68 PRO .000 .133 999.900 999.900 .064 999.900 2.762 2.831 -1.96 999.90 999.90 -1.96 69 ASN .138 .252 .223 .398 .193 .305 2.769 3.919 -.80 -1.96 999.90 -1.38 70 VAL .062 .001 .055 999.900 .031 999.900 2.521 2.377 -.11 999.90 .22 .05 71 LEU .013 .007 .061 .453 .010 .232 2.009 2.631 -.13 -2.54 999.90 -1.34 72 PHE .004 .000 .005 .182 .002 .089 1.798 2.271 .11 -1.33 999.90 -.61 73 LEU .003 .008 .003 .037 .006 .020 1.390 1.706 -.53 -2.62 999.90 -1.57 74 LYS .007 .006 .028 .775 .006 .294 1.617 2.310 -.28 -2.05 999.90 -1.17 75 VAL .003 .004 .008 999.900 .004 999.900 1.568 1.544 .26 999.90 .24 .25 76 ASP .006 .007 .046 .245 .006 .140 2.092 2.380 -.17 -2.66 999.90 -1.41 77 THR .001 .003 .161 999.900 .002 999.900 2.346 2.058 .33 999.90 -.21 .06 78 ASP .007 .008 .011 .079 .007 .044 2.955 3.174 .63 -1.96 999.90 -.66 79 GLU .018 .003 .003 .721 .010 .268 3.127 3.773 -2.10 -1.98 999.90 -2.04 80 LEU .032 .024 .008 .923 .028 .297 2.639 2.844 -2.53 -2.74 999.90 -2.64 81 LYS .001 .003 .329 .222 .002 .274 2.798 3.889 .85 -1.52 999.90 -.34 82 SER .002 .001 .402 999.900 .001 999.900 2.873 3.217 1.13 999.90 -.49 .32 83 VAL .003 .006 .003 999.900 .005 999.900 2.353 2.242 .57 999.90 -.42 .07 84 ALA .004 .005 999.900 999.900 .004 999.900 2.269 2.225 .71 999.90 999.90 .71 85 SER .003 .001 .152 999.900 .002 999.900 2.768 3.235 1.04 999.90 -.61 .21 86 ASP .004 .000 .021 .359 .002 .173 2.480 2.696 .95 -2.18 999.90 -.61 87 TRP .005 .011 .004 .012 .008 .008 2.091 1.639 -.83 .09 999.90 -.37 88 ALA .011 .033 999.900 999.900 .022 999.900 2.388 2.643 -2.50 999.90 999.90 -2.50 89 ILE .036 .014 .009 .458 .025 .201 2.302 1.859 -1.98 -.19 999.90 -1.09 90 GLN .008 .016 .191 .417 .012 .295 2.589 3.804 -1.04 -1.63 999.90 -1.34 91 ALA .015 .005 999.900 999.900 .010 999.900 2.103 2.410 -.98 999.90 999.90 -.98 92 MET .005 .001 .015 .125 .003 .069 1.671 1.812 -.63 -1.07 999.90 -.85 93 PRO .000 .000 999.900 999.900 .000 999.900 1.201 1.179 .42 999.90 999.90 .42 94 THR .003 .000 .171 999.900 .001 999.900 .879 1.337 .49 999.90 -.88 -.20 95 PHE .003 .001 .021 .559 .002 .241 .872 1.258 -.15 -.61 999.90 -.38 96 MET .007 .004 .012 .223 .006 .111 .810 1.389 -.33 -.94 999.90 -.64 97 PHE .009 .004 .015 .816 .006 .291 1.258 1.788 -.24 -3.81 999.90 -2.03 98 LEU .002 .000 .271 .221 .001 .246 1.447 1.454 -1.16 -3.15 999.90 -2.16 99 LYS .000 .002 .001 .002 .001 .002 1.800 2.514 -.50 -.37 999.90 -.44 100 GLU .001 .006 .014 .058 .003 .036 1.803 2.640 -1.49 -.12 999.90 -.81 101 GLY .004 .002 999.900 999.900 .003 999.900 1.450 .000 1.05 999.90 999.90 1.05 102 LYS .002 .000 .139 .212 .001 .174 1.622 2.440 -.33 -1.09 999.90 -.71 103 ILE .000 .000 .024 .223 .000 .118 1.808 1.851 -1.25 -.14 999.90 -.70 104 LEU .001 .003 .082 .079 .002 .081 2.000 2.257 -2.54 -1.03 999.90 -1.79 105 ASP .008 .001 .370 .385 .005 .377 1.705 2.344 -.78 -2.54 999.90 -1.66 106 LYS .012 .010 .349 .296 .011 .322 1.732 2.269 -.75 -1.61 999.90 -1.18 107 VAL .004 .001 .045 999.900 .002 999.900 1.512 1.929 -.16 999.90 .28 .06 108 VAL .004 .000 .004 999.900 .002 999.900 1.719 2.034 .01 999.90 -1.03 -.51 109 GLY .010 .015 999.900 999.900 .013 999.900 1.442 .000 -.50 999.90 999.90 -.50 110 ALA .005 .000 999.900 999.900 .002 999.900 1.467 1.349 -1.47 999.90 999.90 -1.47 111 LYS .000 .004 .060 .091 .002 .075 1.698 2.600 -.88 -1.63 999.90 -1.25 112 LYS .005 .002 .011 .199 .004 .100 2.018 2.326 1.04 -1.77 999.90 -.37 113 ASP .001 .004 .285 .370 .002 .326 2.383 3.071 .85 -1.70 999.90 -.43 114 GLU .007 .006 .060 .648 .007 .290 2.168 2.552 .75 -1.44 999.90 -.34 115 LEU .000 .000 .002 .006 .000 .004 2.008 1.691 .24 -2.54 999.90 -1.15 116 GLN .001 .000 .257 .582 .000 .398 2.518 3.411 .19 -1.19 999.90 -.50 117 SER .001 .002 .071 999.900 .001 999.900 2.573 2.785 .87 999.90 -.66 .10 118 THR .001 .000 .004 999.900 .001 999.900 2.262 1.900 .83 999.90 -.29 .27 119 ILE .001 .000 .002 .760 .001 .274 2.579 2.533 .70 -.35 999.90 .17 120 ALA .000 .000 999.900 999.900 .000 999.900 3.024 3.141 .54 999.90 999.90 .54 121 LYS .000 .001 .000 .001 .000 .001 2.910 2.851 1.05 -2.74 999.90 -.85 122 HIS .001 .001 .001 .001 .001 .001 2.943 2.337 .12 .59 999.90 .35 123 LEU .001 .022 .060 .668 .012 .295 3.395 3.698 -.79 -3.36 999.90 -2.07 124 ALA .568 999.900 999.900 999.900 999.900 999.900 3.907 4.005 999.90 999.90 999.90 .00