Analysis of modes: RMS FLUCTUATIONS Atom no. rmsX rmsY rmsZ rms 1 2.279 1.847 0.549 2.985 2 1.874 1.916 1.823 3.242 3 3.099 2.555 0.236 4.023 4 2.113 1.398 2.002 3.229 5 0.363 0.520 0.442 0.773 6 0.846 0.033 0.144 0.859 7 0.763 0.033 0.822 1.122 8 1.378 0.505 1.067 1.815 9 0.348 0.817 0.482 1.010 10 0.240 0.306 0.919 0.998 11 0.352 0.916 1.681 1.946 12 1.515 0.222 1.162 1.922 13 0.265 0.317 1.457 1.515 14 0.131 1.512 0.851 1.740 15 0.642 1.638 1.347 2.216 16 0.944 1.146 0.389 1.535 17 1.083 2.401 0.799 2.753 18 0.825 0.828 0.660 1.343 19 0.770 0.271 0.007 0.816 20 0.628 0.144 0.039 0.645 21 0.819 0.634 0.017 1.036 22 0.235 0.069 0.032 0.247 23 0.653 0.054 0.029 0.656 24 0.825 0.067 0.023 0.828 25 0.616 0.249 0.045 0.666 26 0.608 0.087 0.052 0.616 27 0.967 0.164 0.148 0.992 28 0.677 0.495 0.358 0.912 29 0.322 0.411 0.141 0.541 30 0.244 0.407 0.090 0.483 31 0.646 0.459 0.401 0.888 32 0.793 0.345 0.211 0.890 33 1.109 0.102 0.494 1.219 34 2.081 0.355 0.612 2.198 35 1.779 0.395 0.896 2.030 36 1.177 0.927 1.068 1.839 37 0.686 0.595 0.514 1.044 38 0.756 0.419 0.569 1.035 39 0.726 0.510 0.575 1.057 40 0.472 0.276 0.364 0.657 41 0.385 0.210 0.762 0.879 42 0.432 0.195 0.067 0.479 43 0.205 0.245 0.868 0.925 44 0.511 1.139 0.715 1.438 45 0.870 0.713 1.800 2.123 46 0.637 0.488 1.363 1.581 47 1.004 0.522 0.805 1.389 48 0.258 0.896 1.036 1.394 49 0.423 0.541 3.229 3.301 50 0.912 0.120 3.469 3.589 51 1.275 0.820 3.822 4.112 52 1.105 2.496 2.897 3.980 53 1.672 5.080 3.444 6.361 54 0.961 2.971 3.176 4.454 55 1.062 2.429 1.285 2.946 56 0.305 0.883 0.344 0.995 57 0.558 0.016 0.040 0.559 58 0.161 0.059 0.864 0.881 59 0.443 1.037 1.029 1.526 60 0.179 0.263 0.866 0.923 61 0.684 0.499 1.250 1.510 62 1.304 0.242 1.878 2.299 63 0.330 0.000 1.242 1.285 64 0.628 0.036 0.665 0.915 65 1.108 0.617 0.503 1.365 66 1.175 0.360 0.016 1.229 67 0.590 0.453 0.163 0.762 68 0.450 0.606 0.010 0.755 69 0.088 0.073 0.269 0.292 70 1.119 0.074 0.977 1.487 71 1.854 0.785 0.281 2.033 72 1.391 1.044 0.000 1.740 73 1.209 1.347 0.351 1.844 74 1.379 1.368 0.631 2.042 75 1.821 2.274 0.772 3.013 76 2.787 1.913 0.820 3.478 77 2.753 1.874 2.584 4.216 78 0.764 1.666 2.282 2.927 79 0.071 1.751 0.080 1.755 80 0.829 1.848 0.210 2.036 81 0.924 1.256 1.101 1.909 82 3.579 0.058 1.377 3.835 83 1.136 0.441 4.806 4.958 84 0.582 1.856 4.475 4.880 85 0.889 3.168 3.149 4.555