REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2w3r_1_F DATA FIRST_RESID 2 DATA SEQUENCE SVGKPLPHDS ARAHVTGQAR YLDDLPCPAN TLHLAFGLST EASAAITGLD DATA SEQUENCE LEPVRESPGV IAVFTAADLP HDNDASPAPS PEPVLATGEV HFVGQPIFLV DATA SEQUENCE AATSHRAARI AARKARITYA PRPAILTLDQ ALAADSRFEG GPVIWARGDV DATA SEQUENCE ETALAGAAHL AEGCFEIGGQ EHFYLEGQAA LALPAEGGVV IHCSSQHPSE DATA SEQUENCE IQHKVAHALG LAFHDVRVEM RRMGGGFGGK ESQGNHLAIA CAVAARATGR DATA SEQUENCE PCKMRYDRDD DMVITGKRHD FRIRYRIGAD ASGKLLGADF VHLARCGWSA DATA SEQUENCE DLSLPVCDRA MLHADGSYFV PALRIESHRL RTNTQSNTAF RGFGGPQGAL DATA SEQUENCE GMERAIEHLA RGMGRDPAEL RALNFYDPPE XXXXXXXXXX XXXXXXKKTQ DATA SEQUENCE TTHYGQEVAD CVLGELVTRL QKSANFTTRR AEIAAWNSTN RTLARGIALS DATA SEQUENCE PVKFGISFTL THLNQAGALV QIYTDGSVAL NHGGTEMGQG LHAKMVQVAA DATA SEQUENCE AVLGIDPVQV RITATDTSKV PNTSATAASS GADMNGMAVK DACETLRGRL DATA SEQUENCE AGFVAAREGC AARDVIFDAG QVQASGKSWR FAEIVAAAYM ARISLSATGF DATA SEQUENCE YATPKLSWDR LRGQGRPFLY FAYGAAITEV VIDRLTGENR ILRTDILHDA DATA SEQUENCE GASLNPALDI GQIEGAYVQG AGWLTTEELV WDHCGRLMTH APSTYKIPAF DATA SEQUENCE SDRPRIFNVA LWDQPNREET IFRSKAVGEP PFLLGISAFL ALHDACAACG DATA SEQUENCE PHWPDLQAPA TPEAVLAAVR RAEGRA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.473 174.600 -0.211 0.000 1.055 2 S CA 0.000 58.105 58.200 -0.159 0.000 1.107 2 S CB 0.000 63.130 63.200 -0.117 0.000 0.593 3 V N 1.855 121.562 119.914 -0.345 0.000 2.617 3 V HA 0.384 4.504 4.120 -0.000 0.000 0.304 3 V C 1.727 177.645 176.094 -0.293 0.000 1.040 3 V CA 1.827 63.863 62.300 -0.441 0.000 1.149 3 V CB 0.408 31.632 31.823 -0.998 0.000 0.914 3 V HN 0.870 nan 8.190 nan 0.000 0.487 4 G N 3.772 112.450 108.800 -0.203 0.000 2.213 4 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.236 4 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.236 4 G C 0.294 175.137 174.900 -0.095 0.000 0.991 4 G CA 0.039 45.061 45.100 -0.130 0.000 0.629 4 G HN 0.596 nan 8.290 nan 0.000 0.517 5 K N 1.630 121.970 120.400 -0.100 0.000 2.326 5 K HA 0.356 4.675 4.320 -0.000 0.000 0.275 5 K C -2.073 174.492 176.600 -0.058 0.000 1.018 5 K CA -1.074 55.169 56.287 -0.073 0.000 0.962 5 K CB 1.325 33.781 32.500 -0.074 0.000 0.953 5 K HN 0.041 nan 8.250 nan 0.000 0.475 6 P HA 0.093 nan 4.420 nan 0.000 0.218 6 P C -0.628 176.658 177.300 -0.024 0.000 1.793 6 P CA 0.027 63.109 63.100 -0.030 0.000 0.941 6 P CB -0.077 31.608 31.700 -0.024 0.000 1.919 7 L N 2.389 123.594 121.223 -0.031 0.000 2.436 7 L HA 0.348 4.688 4.340 -0.000 0.000 0.265 7 L C -1.412 175.454 176.870 -0.008 0.000 1.168 7 L CA -2.043 52.782 54.840 -0.025 0.000 0.815 7 L CB 0.049 42.083 42.059 -0.041 0.000 1.109 7 L HN 0.054 nan 8.230 nan 0.000 0.462 8 P HA 0.006 nan 4.420 nan 0.000 0.275 8 P C -0.633 176.701 177.300 0.056 0.000 1.266 8 P CA -0.408 62.716 63.100 0.041 0.000 0.793 8 P CB 0.394 32.117 31.700 0.039 0.000 1.074 9 H N 1.312 120.388 119.070 0.010 0.000 2.948 9 H HA -0.073 4.483 4.556 -0.000 0.000 0.351 9 H C 1.321 176.635 175.328 -0.023 0.000 1.079 9 H CA 0.914 56.972 56.048 0.018 0.000 1.407 9 H CB 0.632 30.436 29.762 0.069 0.000 1.373 9 H HN 0.530 nan 8.280 nan 0.000 0.605 10 D N 1.897 122.096 120.400 -0.335 0.000 2.182 10 D HA -0.136 4.504 4.640 -0.000 0.000 0.201 10 D C 0.410 176.680 176.300 -0.050 0.000 0.986 10 D CA 1.069 54.974 54.000 -0.159 0.000 0.847 10 D CB 0.095 40.796 40.800 -0.164 0.000 0.942 10 D HN 0.255 nan 8.370 nan 0.000 0.467 11 S N -0.371 115.378 115.700 0.082 0.000 2.664 11 S HA 0.469 4.939 4.470 -0.000 0.000 0.245 11 S C 1.464 175.724 174.600 -0.567 0.000 1.019 11 S CA -0.001 58.083 58.200 -0.193 0.000 0.996 11 S CB 1.065 64.157 63.200 -0.180 0.000 0.878 11 S HN 0.462 nan 8.310 nan 0.000 0.493 12 A N 2.051 124.732 122.820 -0.232 0.000 2.024 12 A HA -0.102 4.218 4.320 -0.000 0.000 0.220 12 A C 2.079 179.612 177.584 -0.084 0.000 1.164 12 A CA 1.255 53.204 52.037 -0.146 0.000 0.643 12 A CB -0.325 18.701 19.000 0.044 0.000 0.806 12 A HN 0.433 nan 8.150 nan 0.000 0.451 13 R N -0.824 119.625 120.500 -0.085 0.000 2.075 13 R HA 0.047 4.387 4.340 -0.000 0.000 0.226 13 R C 2.356 178.639 176.300 -0.027 0.000 1.114 13 R CA 1.067 57.146 56.100 -0.034 0.000 0.972 13 R CB -0.279 30.004 30.300 -0.029 0.000 0.869 13 R HN 0.447 nan 8.270 nan 0.000 0.437 14 A N 0.197 122.971 122.820 -0.077 0.000 1.930 14 A HA -0.169 4.150 4.320 -0.000 0.000 0.217 14 A C 1.684 179.313 177.584 0.075 0.000 1.175 14 A CA 1.398 53.417 52.037 -0.030 0.000 0.627 14 A CB -0.791 18.170 19.000 -0.066 0.000 0.815 14 A HN 0.520 nan 8.150 nan 0.000 0.443 15 H N -1.460 117.628 119.070 0.031 0.000 2.289 15 H HA -0.125 4.431 4.556 -0.000 0.000 0.296 15 H C 2.118 177.474 175.328 0.048 0.000 1.091 15 H CA 1.156 57.233 56.048 0.049 0.000 1.274 15 H CB -0.136 29.639 29.762 0.022 0.000 1.364 15 H HN 0.273 nan 8.280 nan 0.000 0.490 16 V N 0.921 120.933 119.914 0.163 0.000 2.490 16 V HA -0.215 3.905 4.120 -0.000 0.000 0.250 16 V C 2.452 178.590 176.094 0.074 0.000 1.061 16 V CA 2.250 64.610 62.300 0.101 0.000 1.064 16 V CB -0.392 31.474 31.823 0.071 0.000 0.670 16 V HN 0.714 nan 8.190 nan 0.000 0.461 17 T N -3.212 111.380 114.554 0.064 0.000 3.065 17 T HA 0.244 4.594 4.350 -0.000 0.000 0.252 17 T C 1.451 176.185 174.700 0.056 0.000 1.099 17 T CA 0.706 62.834 62.100 0.047 0.000 1.063 17 T CB 0.433 69.318 68.868 0.029 0.000 0.948 17 T HN 0.977 nan 8.240 nan 0.000 0.506 18 G N 1.551 110.400 108.800 0.082 0.000 2.198 18 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.257 18 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.257 18 G C 0.429 175.373 174.900 0.073 0.000 1.042 18 G CA 0.426 45.581 45.100 0.092 0.000 0.791 18 G HN 0.583 nan 8.290 nan 0.000 0.502 19 Q N -0.770 119.063 119.800 0.056 0.000 2.352 19 Q HA 0.493 4.833 4.340 -0.000 0.000 0.212 19 Q C 1.632 177.630 176.000 -0.004 0.000 0.888 19 Q CA 0.405 56.221 55.803 0.022 0.000 0.934 19 Q CB 0.666 29.407 28.738 0.006 0.000 1.093 19 Q HN 0.853 nan 8.270 nan 0.000 0.523 20 A N 1.579 124.404 122.820 0.008 0.000 2.477 20 A HA 0.215 4.535 4.320 -0.000 0.000 0.246 20 A C -0.299 177.153 177.584 -0.220 0.000 1.078 20 A CA 0.106 52.086 52.037 -0.095 0.000 0.770 20 A CB 0.214 19.206 19.000 -0.014 0.000 1.011 20 A HN 0.194 nan 8.150 nan 0.000 0.494 21 R N 1.272 121.595 120.500 -0.296 0.000 2.255 21 R HA 0.480 4.820 4.340 -0.000 0.000 0.326 21 R C -1.449 174.604 176.300 -0.412 0.000 0.986 21 R CA -0.068 55.886 56.100 -0.243 0.000 0.847 21 R CB 1.021 31.239 30.300 -0.137 0.000 1.111 21 R HN 0.764 nan 8.270 nan 0.000 0.452 22 Y N 1.308 121.597 120.300 -0.017 0.000 2.534 22 Y HA 0.142 4.691 4.550 -0.000 0.000 0.329 22 Y C 1.420 177.293 175.900 -0.046 0.000 1.154 22 Y CA -0.880 57.201 58.100 -0.032 0.000 1.192 22 Y CB 0.942 39.379 38.460 -0.038 0.000 1.275 22 Y HN 0.439 nan 8.280 nan 0.000 0.491 23 L N 0.933 122.218 121.223 0.104 0.000 2.054 23 L HA -0.321 4.018 4.340 -0.000 0.000 0.220 23 L C 1.640 178.519 176.870 0.015 0.000 1.081 23 L CA 2.445 57.301 54.840 0.027 0.000 0.780 23 L CB -0.317 41.751 42.059 0.015 0.000 0.893 23 L HN 0.848 nan 8.230 nan 0.000 0.438 24 D N -1.265 119.153 120.400 0.030 0.000 2.269 24 D HA -0.153 4.487 4.640 -0.000 0.000 0.208 24 D C 1.592 177.908 176.300 0.026 0.000 0.963 24 D CA 0.907 54.917 54.000 0.017 0.000 0.864 24 D CB -0.013 40.783 40.800 -0.007 0.000 0.936 24 D HN 0.485 nan 8.370 nan 0.000 0.505 25 D N -0.242 120.185 120.400 0.044 0.000 2.183 25 D HA -0.032 4.608 4.640 -0.000 0.000 0.203 25 D C 0.658 176.957 176.300 -0.002 0.000 0.969 25 D CA 0.172 54.193 54.000 0.034 0.000 0.842 25 D CB -0.168 40.669 40.800 0.060 0.000 0.957 25 D HN 0.299 nan 8.370 nan 0.000 0.484 26 L N 2.844 124.050 121.223 -0.029 0.000 2.543 26 L HA 0.049 4.389 4.340 -0.000 0.000 0.285 26 L C -1.766 175.078 176.870 -0.043 0.000 1.236 26 L CA -1.031 53.768 54.840 -0.068 0.000 0.871 26 L CB -0.515 41.464 42.059 -0.132 0.000 1.121 26 L HN -0.064 nan 8.230 nan 0.000 0.501 27 P HA 0.224 nan 4.420 nan 0.000 0.275 27 P C -0.991 176.293 177.300 -0.026 0.000 1.228 27 P CA -0.481 62.604 63.100 -0.025 0.000 0.786 27 P CB 1.094 32.779 31.700 -0.025 0.000 0.927 28 C N 0.637 119.933 119.300 -0.008 0.000 3.285 28 C HA 0.628 5.088 4.460 -0.000 0.000 0.325 28 C C -2.791 172.201 174.990 0.004 0.000 1.304 28 C CA -2.126 56.889 59.018 -0.004 0.000 1.319 28 C CB 0.175 27.910 27.740 -0.008 0.000 1.640 28 C HN 0.367 nan 8.230 nan 0.000 0.477 29 P HA 0.280 nan 4.420 nan 0.000 0.269 29 P C 0.955 178.262 177.300 0.013 0.000 1.211 29 P CA 0.610 63.714 63.100 0.007 0.000 0.781 29 P CB 0.381 32.084 31.700 0.006 0.000 0.877 30 A N 2.417 125.248 122.820 0.018 0.000 1.917 30 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 30 A C 1.679 179.282 177.584 0.031 0.000 1.182 30 A CA 2.155 54.209 52.037 0.028 0.000 0.633 30 A CB -1.311 17.704 19.000 0.025 0.000 0.819 30 A HN 0.766 nan 8.150 nan 0.000 0.448 31 N N -0.136 118.577 118.700 0.020 0.000 2.515 31 N HA -0.024 4.715 4.740 -0.000 0.000 0.185 31 N C 0.009 175.520 175.510 0.002 0.000 1.109 31 N CA 0.961 54.023 53.050 0.019 0.000 0.903 31 N CB -1.492 37.005 38.487 0.017 0.000 0.969 31 N HN 0.211 nan 8.380 nan 0.000 0.450 32 T N 2.249 116.790 114.554 -0.022 0.000 2.800 32 T HA 0.039 4.389 4.350 -0.000 0.000 0.283 32 T C 0.624 175.216 174.700 -0.180 0.000 0.999 32 T CA 0.139 62.183 62.100 -0.094 0.000 1.176 32 T CB 0.152 68.952 68.868 -0.113 0.000 0.973 32 T HN 0.148 nan 8.240 nan 0.000 0.519 33 L N 3.575 124.692 121.223 -0.176 0.000 2.469 33 L HA 0.469 4.808 4.340 -0.000 0.000 0.253 33 L C 0.761 177.395 176.870 -0.393 0.000 1.143 33 L CA -0.943 53.810 54.840 -0.145 0.000 0.804 33 L CB 0.475 42.527 42.059 -0.011 0.000 1.214 33 L HN 0.624 nan 8.230 nan 0.000 0.476 34 H N 1.264 120.371 119.070 0.062 0.000 2.667 34 H HA 0.508 5.064 4.556 -0.000 0.000 0.353 34 H C -0.988 174.374 175.328 0.055 0.000 1.072 34 H CA -0.565 55.530 56.048 0.078 0.000 1.214 34 H CB 1.977 31.813 29.762 0.124 0.000 1.600 34 H HN 0.309 nan 8.280 nan 0.000 0.527 35 L N 1.401 122.697 121.223 0.122 0.000 2.332 35 L HA 0.862 5.202 4.340 -0.000 0.000 0.269 35 L C 0.130 176.987 176.870 -0.022 0.000 1.016 35 L CA -1.066 53.787 54.840 0.021 0.000 0.809 35 L CB 1.765 43.776 42.059 -0.079 0.000 1.280 35 L HN 0.601 nan 8.230 nan 0.000 0.447 36 A N 0.813 123.583 122.820 -0.083 0.000 2.574 36 A HA 0.707 5.026 4.320 -0.000 0.000 0.297 36 A C -1.353 176.132 177.584 -0.165 0.000 1.062 36 A CA -0.464 51.504 52.037 -0.115 0.000 0.686 36 A CB 1.058 20.019 19.000 -0.065 0.000 1.285 36 A HN 0.506 nan 8.150 nan 0.000 0.403 37 F N 0.944 120.864 119.950 -0.050 0.000 2.375 37 F HA 0.507 5.034 4.527 -0.000 0.000 0.333 37 F C 1.391 176.939 175.800 -0.421 0.000 1.104 37 F CA 0.052 57.936 58.000 -0.194 0.000 1.149 37 F CB 1.629 40.552 39.000 -0.128 0.000 1.190 37 F HN 0.681 nan 8.300 nan 0.000 0.533 38 G N 3.709 112.089 108.800 -0.700 0.000 2.322 38 G HA2 0.562 4.522 3.960 -0.000 0.000 0.309 38 G HA3 0.562 4.522 3.960 -0.000 0.000 0.309 38 G C -0.934 173.664 174.900 -0.502 0.000 1.121 38 G CA -0.590 43.897 45.100 -1.022 0.000 0.886 38 G HN 0.483 nan 8.290 nan 0.000 0.447 39 L N 1.491 122.562 121.223 -0.254 0.000 2.344 39 L HA 0.477 4.817 4.340 -0.000 0.000 0.272 39 L C 0.980 177.763 176.870 -0.146 0.000 1.035 39 L CA -0.925 53.783 54.840 -0.220 0.000 0.807 39 L CB 1.819 43.747 42.059 -0.219 0.000 1.237 39 L HN 0.535 nan 8.230 nan 0.000 0.442 40 S N -0.243 115.327 115.700 -0.218 0.000 2.531 40 S HA 0.086 4.556 4.470 -0.000 0.000 0.279 40 S C 1.019 175.484 174.600 -0.224 0.000 1.305 40 S CA -0.206 57.903 58.200 -0.153 0.000 1.058 40 S CB 0.701 63.734 63.200 -0.277 0.000 0.899 40 S HN 0.765 nan 8.310 nan 0.000 0.493 41 T N 1.355 115.788 114.554 -0.202 0.000 3.081 41 T HA 0.278 4.628 4.350 -0.000 0.000 0.250 41 T C 0.160 174.627 174.700 -0.389 0.000 1.100 41 T CA -0.073 61.873 62.100 -0.257 0.000 1.038 41 T CB 0.010 68.775 68.868 -0.171 0.000 0.962 41 T HN 0.526 nan 8.240 nan 0.000 0.516 42 E N 0.795 120.661 120.200 -0.556 0.000 2.166 42 E HA 0.618 4.967 4.350 -0.000 0.000 0.275 42 E C 0.680 177.086 176.600 -0.323 0.000 0.941 42 E CA -0.334 55.754 56.400 -0.520 0.000 0.784 42 E CB 1.823 31.038 29.700 -0.808 0.000 1.115 42 E HN 0.240 nan 8.360 nan 0.000 0.399 43 A N 2.618 125.310 122.820 -0.214 0.000 2.015 43 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 43 A C 0.990 178.514 177.584 -0.100 0.000 1.163 43 A CA 0.982 52.947 52.037 -0.120 0.000 0.646 43 A CB 0.320 19.278 19.000 -0.070 0.000 0.806 43 A HN 0.327 nan 8.150 nan 0.000 0.448 44 S N -1.933 113.689 115.700 -0.130 0.000 2.550 44 S HA 0.568 5.038 4.470 -0.000 0.000 0.274 44 S C -0.904 173.630 174.600 -0.110 0.000 1.110 44 S CA 0.215 58.347 58.200 -0.114 0.000 1.013 44 S CB 0.359 63.526 63.200 -0.054 0.000 1.152 44 S HN 1.601 nan 8.310 nan 0.000 0.450 45 A N 2.842 125.596 122.820 -0.110 0.000 2.601 45 A HA 0.920 5.240 4.320 -0.000 0.000 0.291 45 A C -0.581 177.000 177.584 -0.005 0.000 1.075 45 A CA -0.197 51.824 52.037 -0.026 0.000 0.671 45 A CB 0.694 19.712 19.000 0.030 0.000 1.277 45 A HN 1.620 nan 8.150 nan 0.000 0.417 46 A N 0.223 123.059 122.820 0.027 0.000 2.293 46 A HA 0.740 5.060 4.320 -0.000 0.000 0.302 46 A C -0.414 177.190 177.584 0.034 0.000 1.119 46 A CA -0.372 51.674 52.037 0.015 0.000 0.823 46 A CB 0.092 19.096 19.000 0.005 0.000 1.097 46 A HN 0.807 nan 8.150 nan 0.000 0.491 47 I N 1.861 122.419 120.570 -0.020 0.000 2.307 47 I HA 0.179 4.348 4.170 -0.000 0.000 0.289 47 I C 0.985 177.047 176.117 -0.091 0.000 1.021 47 I CA -0.101 61.135 61.300 -0.107 0.000 1.224 47 I CB 1.427 39.352 38.000 -0.125 0.000 1.376 47 I HN 0.770 nan 8.210 nan 0.000 0.470 48 T N 3.814 118.304 114.554 -0.106 0.000 2.894 48 T HA 0.122 4.472 4.350 -0.000 0.000 0.258 48 T C 0.782 175.432 174.700 -0.083 0.000 1.043 48 T CA 0.679 62.737 62.100 -0.071 0.000 1.141 48 T CB 0.163 69.000 68.868 -0.052 0.000 0.873 48 T HN 0.766 nan 8.240 nan 0.000 0.449 49 G N 0.118 108.844 108.800 -0.124 0.000 2.690 49 G HA2 0.590 4.550 3.960 -0.000 0.000 0.293 49 G HA3 0.590 4.550 3.960 -0.000 0.000 0.293 49 G C -2.138 172.675 174.900 -0.146 0.000 1.399 49 G CA -0.535 44.498 45.100 -0.112 0.000 0.890 49 G HN 0.154 nan 8.290 nan 0.000 0.485 50 L N 1.342 122.492 121.223 -0.121 0.000 2.457 50 L HA 0.432 4.772 4.340 -0.000 0.000 0.259 50 L C -0.988 175.797 176.870 -0.142 0.000 1.377 50 L CA -0.617 54.141 54.840 -0.136 0.000 0.887 50 L CB 1.376 43.369 42.059 -0.109 0.000 1.085 50 L HN 0.542 nan 8.230 nan 0.000 0.509 51 D N 2.529 122.845 120.400 -0.139 0.000 2.352 51 D HA 0.242 4.882 4.640 -0.000 0.000 0.245 51 D C 0.501 176.688 176.300 -0.189 0.000 1.224 51 D CA 0.222 54.142 54.000 -0.134 0.000 0.879 51 D CB 0.728 41.468 40.800 -0.099 0.000 1.057 51 D HN 0.537 nan 8.370 nan 0.000 0.491 52 L N 3.348 124.442 121.223 -0.215 0.000 2.872 52 L HA 0.236 4.576 4.340 -0.000 0.000 0.245 52 L C 1.577 178.332 176.870 -0.191 0.000 1.211 52 L CA -0.173 54.490 54.840 -0.294 0.000 1.013 52 L CB 0.154 41.996 42.059 -0.362 0.000 1.326 52 L HN 0.372 nan 8.230 nan 0.000 0.525 53 E N 1.565 121.685 120.200 -0.134 0.000 2.107 53 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 53 E C -0.839 175.717 176.600 -0.074 0.000 0.982 53 E CA 1.049 57.393 56.400 -0.092 0.000 0.809 53 E CB -0.377 29.280 29.700 -0.072 0.000 0.756 53 E HN 0.250 nan 8.360 nan 0.000 0.459 54 P HA -0.023 nan 4.420 nan 0.000 0.241 54 P C 0.763 178.040 177.300 -0.039 0.000 1.191 54 P CA 0.507 63.580 63.100 -0.045 0.000 0.771 54 P CB 0.331 32.009 31.700 -0.036 0.000 0.929 55 V N 0.021 119.893 119.914 -0.070 0.000 2.331 55 V HA -0.089 4.031 4.120 -0.000 0.000 0.242 55 V C 2.432 178.509 176.094 -0.029 0.000 1.034 55 V CA 1.383 63.656 62.300 -0.045 0.000 1.027 55 V CB -0.875 30.875 31.823 -0.121 0.000 0.667 55 V HN 0.019 nan 8.190 nan 0.000 0.457 56 R N 0.219 120.685 120.500 -0.057 0.000 2.120 56 R HA -0.162 4.177 4.340 -0.000 0.000 0.234 56 R C 2.104 178.388 176.300 -0.026 0.000 1.123 56 R CA 1.552 57.625 56.100 -0.044 0.000 0.975 56 R CB -0.210 30.052 30.300 -0.065 0.000 0.866 56 R HN 0.612 nan 8.270 nan 0.000 0.446 57 E N 0.246 120.430 120.200 -0.026 0.000 2.435 57 E HA 0.012 4.362 4.350 -0.000 0.000 0.195 57 E C 0.260 176.857 176.600 -0.005 0.000 1.029 57 E CA -0.123 56.267 56.400 -0.016 0.000 0.865 57 E CB 0.331 30.020 29.700 -0.020 0.000 0.833 57 E HN 0.011 nan 8.360 nan 0.000 0.510 58 S N 1.677 117.378 115.700 0.001 0.000 2.562 58 S HA 0.085 4.555 4.470 -0.000 0.000 0.281 58 S C -2.382 172.228 174.600 0.016 0.000 1.333 58 S CA -1.579 56.628 58.200 0.012 0.000 1.052 58 S CB 0.446 63.659 63.200 0.022 0.000 0.884 58 S HN -0.151 nan 8.310 nan 0.000 0.506 59 P HA 0.165 nan 4.420 nan 0.000 0.262 59 P C 0.886 178.202 177.300 0.027 0.000 1.182 59 P CA 1.200 64.311 63.100 0.019 0.000 0.761 59 P CB 0.129 31.839 31.700 0.017 0.000 0.795 60 G N 1.346 110.164 108.800 0.030 0.000 2.268 60 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.240 60 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.240 60 G C 0.166 175.096 174.900 0.049 0.000 1.010 60 G CA -0.021 45.103 45.100 0.041 0.000 0.618 60 G HN 0.546 nan 8.290 nan 0.000 0.516 61 V N 2.634 122.574 119.914 0.043 0.000 2.655 61 V HA 0.274 4.394 4.120 -0.000 0.000 0.300 61 V C 1.651 177.769 176.094 0.039 0.000 1.044 61 V CA 0.495 62.825 62.300 0.049 0.000 1.095 61 V CB 1.236 33.084 31.823 0.041 0.000 0.952 61 V HN 0.258 nan 8.190 nan 0.000 0.485 62 I N 2.484 123.085 120.570 0.052 0.000 3.300 62 I HA 0.401 4.571 4.170 -0.000 0.000 0.279 62 I C 0.867 176.992 176.117 0.013 0.000 1.172 62 I CA 0.891 62.215 61.300 0.040 0.000 1.431 62 I CB -0.089 37.948 38.000 0.062 0.000 1.240 62 I HN 0.699 nan 8.210 nan 0.000 0.453 63 A N 0.550 123.385 122.820 0.025 0.000 2.572 63 A HA 0.746 5.066 4.320 -0.000 0.000 0.295 63 A C -1.329 176.193 177.584 -0.104 0.000 1.072 63 A CA -0.365 51.608 52.037 -0.106 0.000 0.691 63 A CB 2.117 21.035 19.000 -0.136 0.000 1.291 63 A HN -0.158 nan 8.150 nan 0.000 0.404 64 V N 1.163 120.889 119.914 -0.313 0.000 2.577 64 V HA 0.607 4.727 4.120 -0.000 0.000 0.303 64 V C -1.425 174.497 176.094 -0.287 0.000 1.042 64 V CA -0.271 61.959 62.300 -0.116 0.000 0.872 64 V CB 1.375 33.157 31.823 -0.069 0.000 0.998 64 V HN 0.722 nan 8.190 nan 0.000 0.423 65 F N 1.680 121.730 119.950 0.166 0.000 2.495 65 F HA 0.755 5.282 4.527 -0.000 0.000 0.327 65 F C 0.602 176.521 175.800 0.197 0.000 1.103 65 F CA -0.367 57.725 58.000 0.155 0.000 0.949 65 F CB 2.472 41.564 39.000 0.154 0.000 1.142 65 F HN 0.368 nan 8.300 nan 0.000 0.457 66 T N 0.771 115.510 114.554 0.309 0.000 2.930 66 T HA 0.483 4.833 4.350 -0.000 0.000 0.290 66 T C 0.925 175.753 174.700 0.213 0.000 1.052 66 T CA -0.216 62.026 62.100 0.237 0.000 1.017 66 T CB 1.854 70.801 68.868 0.131 0.000 1.137 66 T HN 0.664 nan 8.240 nan 0.000 0.511 67 A N 0.860 123.781 122.820 0.169 0.000 2.032 67 A HA 0.008 4.327 4.320 -0.000 0.000 0.221 67 A C 2.352 180.003 177.584 0.111 0.000 1.165 67 A CA 2.102 54.221 52.037 0.137 0.000 0.645 67 A CB -1.052 18.017 19.000 0.115 0.000 0.807 67 A HN 0.919 nan 8.150 nan 0.000 0.453 68 A N -0.261 122.617 122.820 0.097 0.000 1.969 68 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 68 A C 1.678 179.308 177.584 0.078 0.000 1.169 68 A CA 1.571 53.649 52.037 0.069 0.000 0.635 68 A CB -0.362 18.667 19.000 0.047 0.000 0.810 68 A HN 0.525 nan 8.150 nan 0.000 0.445 69 D N -0.282 120.191 120.400 0.121 0.000 2.323 69 D HA 0.058 4.698 4.640 -0.000 0.000 0.209 69 D C 0.255 176.663 176.300 0.179 0.000 0.973 69 D CA 0.208 54.300 54.000 0.154 0.000 0.874 69 D CB -0.068 40.864 40.800 0.219 0.000 0.930 69 D HN 0.369 nan 8.370 nan 0.000 0.521 70 L N 3.368 124.684 121.223 0.155 0.000 2.500 70 L HA 0.040 4.380 4.340 -0.000 0.000 0.272 70 L C -0.719 176.190 176.870 0.064 0.000 1.149 70 L CA -1.073 53.842 54.840 0.124 0.000 0.897 70 L CB 0.481 42.609 42.059 0.116 0.000 1.178 70 L HN -0.135 nan 8.230 nan 0.000 0.473 71 P HA -0.135 nan 4.420 nan 0.000 0.216 71 P C 0.266 177.360 177.300 -0.342 0.000 1.150 71 P CA 1.649 64.699 63.100 -0.083 0.000 0.837 71 P CB 0.372 32.118 31.700 0.076 0.000 0.786 72 H N -2.180 116.925 119.070 0.058 0.000 4.945 72 H HA 0.277 4.832 4.556 -0.000 0.000 0.278 72 H C -0.204 175.159 175.328 0.058 0.000 1.286 72 H CA -0.625 55.457 56.048 0.057 0.000 0.407 72 H CB -0.741 29.056 29.762 0.058 0.000 1.458 72 H HN -0.229 nan 8.280 nan 0.000 0.488 73 D N 1.249 121.784 120.400 0.226 0.000 2.417 73 D HA 0.042 4.682 4.640 -0.000 0.000 0.250 73 D C -0.241 176.117 176.300 0.096 0.000 1.166 73 D CA 0.269 54.345 54.000 0.126 0.000 0.881 73 D CB 0.263 41.123 40.800 0.101 0.000 1.164 73 D HN 0.282 nan 8.370 nan 0.000 0.467 74 N N 2.482 121.229 118.700 0.078 0.000 3.194 74 N HA 0.123 4.862 4.740 -0.000 0.000 0.271 74 N C -1.706 173.838 175.510 0.057 0.000 1.308 74 N CA -0.485 52.609 53.050 0.074 0.000 1.042 74 N CB 0.049 38.590 38.487 0.089 0.000 1.310 74 N HN 0.186 nan 8.380 nan 0.000 0.502 75 D N 0.270 120.686 120.400 0.027 0.000 2.764 75 D HA 0.459 5.099 4.640 -0.000 0.000 0.227 75 D C -0.659 175.615 176.300 -0.043 0.000 1.347 75 D CA -0.494 53.507 54.000 0.002 0.000 0.953 75 D CB 1.411 42.212 40.800 0.001 0.000 1.476 75 D HN 0.199 nan 8.370 nan 0.000 0.585 76 A N 2.630 125.390 122.820 -0.099 0.000 2.508 76 A HA 0.292 4.612 4.320 -0.000 0.000 0.250 76 A C 0.723 178.258 177.584 -0.080 0.000 1.208 76 A CA -0.194 51.727 52.037 -0.193 0.000 0.960 76 A CB 0.309 18.900 19.000 -0.682 0.000 1.099 76 A HN 0.349 nan 8.150 nan 0.000 0.542 77 S N 1.330 117.003 115.700 -0.046 0.000 2.548 77 S HA 0.341 4.811 4.470 -0.000 0.000 0.277 77 S C -1.134 173.444 174.600 -0.037 0.000 1.315 77 S CA -1.127 57.047 58.200 -0.044 0.000 1.050 77 S CB 0.885 64.034 63.200 -0.085 0.000 0.918 77 S HN 0.269 nan 8.310 nan 0.000 0.497 78 P HA 0.123 nan 4.420 nan 0.000 0.229 78 P C 0.152 177.433 177.300 -0.031 0.000 1.160 78 P CA 0.368 63.450 63.100 -0.030 0.000 0.777 78 P CB -0.060 31.650 31.700 0.017 0.000 0.814 79 A N 0.921 123.713 122.820 -0.046 0.000 2.286 79 A HA 0.444 4.764 4.320 -0.000 0.000 0.286 79 A C -1.325 176.235 177.584 -0.040 0.000 1.097 79 A CA -1.400 50.608 52.037 -0.048 0.000 0.821 79 A CB -0.239 18.705 19.000 -0.094 0.000 1.076 79 A HN -0.079 nan 8.150 nan 0.000 0.490 80 P HA -0.075 nan 4.420 nan 0.000 0.216 80 P C 0.594 177.885 177.300 -0.016 0.000 1.150 80 P CA 1.478 64.570 63.100 -0.014 0.000 0.837 80 P CB -0.138 31.559 31.700 -0.005 0.000 0.786 81 S N -0.180 115.508 115.700 -0.021 0.000 2.564 81 S HA 0.306 4.776 4.470 -0.000 0.000 0.278 81 S C -2.445 172.137 174.600 -0.030 0.000 1.333 81 S CA -1.298 56.895 58.200 -0.013 0.000 1.048 81 S CB -0.226 62.975 63.200 0.002 0.000 0.900 81 S HN -0.057 nan 8.310 nan 0.000 0.505 82 P HA 0.331 nan 4.420 nan 0.000 0.275 82 P C -0.826 176.459 177.300 -0.025 0.000 1.228 82 P CA -0.351 62.745 63.100 -0.007 0.000 0.786 82 P CB 0.401 32.115 31.700 0.024 0.000 0.927 83 E N 2.855 123.045 120.200 -0.018 0.000 2.283 83 E HA 0.293 4.643 4.350 -0.000 0.000 0.258 83 E C -2.590 174.095 176.600 0.141 0.000 0.893 83 E CA -2.680 53.717 56.400 -0.004 0.000 0.798 83 E CB 1.484 31.099 29.700 -0.143 0.000 1.242 83 E HN 0.257 nan 8.360 nan 0.000 0.414 84 P HA -0.021 nan 4.420 nan 0.000 0.271 84 P C 0.844 178.286 177.300 0.236 0.000 1.216 84 P CA -0.171 63.063 63.100 0.224 0.000 0.776 84 P CB 1.553 33.401 31.700 0.246 0.000 0.881 85 V N 3.181 123.163 119.914 0.113 0.000 2.379 85 V HA -0.092 4.028 4.120 -0.000 0.000 0.245 85 V C 1.316 177.460 176.094 0.085 0.000 1.044 85 V CA 1.477 63.832 62.300 0.092 0.000 1.036 85 V CB -0.687 31.170 31.823 0.057 0.000 0.664 85 V HN 0.425 nan 8.190 nan 0.000 0.453 86 L N 0.306 121.592 121.223 0.104 0.000 2.341 86 L HA 0.706 5.046 4.340 -0.000 0.000 0.278 86 L C 0.189 177.119 176.870 0.100 0.000 1.005 86 L CA -0.781 54.110 54.840 0.086 0.000 0.818 86 L CB 1.564 43.715 42.059 0.152 0.000 1.259 86 L HN 0.148 nan 8.230 nan 0.000 0.418 87 A N 1.457 124.315 122.820 0.064 0.000 2.567 87 A HA 0.289 4.609 4.320 -0.000 0.000 0.240 87 A C 0.574 178.214 177.584 0.094 0.000 1.053 87 A CA 0.198 52.280 52.037 0.076 0.000 0.755 87 A CB -0.211 18.798 19.000 0.015 0.000 0.978 87 A HN 0.717 nan 8.150 nan 0.000 0.507 88 T N 0.662 115.287 114.554 0.118 0.000 3.145 88 T HA 0.525 4.875 4.350 -0.000 0.000 0.362 88 T C 1.116 175.866 174.700 0.083 0.000 1.340 88 T CA 0.348 62.510 62.100 0.103 0.000 1.069 88 T CB 0.208 69.148 68.868 0.120 0.000 1.129 88 T HN 2.376 nan 8.240 nan 0.000 0.585 89 G N 2.656 111.486 108.800 0.051 0.000 2.328 89 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.256 89 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.256 89 G C -0.111 174.794 174.900 0.008 0.000 1.014 89 G CA 0.548 45.663 45.100 0.026 0.000 0.620 89 G HN 1.107 nan 8.290 nan 0.000 0.530 90 E N -1.154 119.050 120.200 0.007 0.000 2.433 90 E HA 0.705 5.055 4.350 -0.000 0.000 0.278 90 E C -0.509 176.015 176.600 -0.126 0.000 0.976 90 E CA -0.749 55.613 56.400 -0.064 0.000 0.793 90 E CB 2.404 32.040 29.700 -0.107 0.000 1.311 90 E HN 1.044 nan 8.360 nan 0.000 0.460 91 V N -1.689 118.085 119.914 -0.232 0.000 2.914 91 V HA 0.488 4.608 4.120 -0.000 0.000 0.314 91 V C -0.253 175.552 176.094 -0.481 0.000 1.084 91 V CA -0.624 61.507 62.300 -0.281 0.000 0.963 91 V CB 1.702 33.427 31.823 -0.162 0.000 1.025 91 V HN 0.906 nan 8.190 nan 0.000 0.432 92 H N 2.630 121.569 119.070 -0.220 0.000 3.058 92 H HA 0.416 4.972 4.556 -0.000 0.000 0.266 92 H C -0.310 175.003 175.328 -0.025 0.000 1.135 92 H CA 0.802 56.798 56.048 -0.087 0.000 1.174 92 H CB 1.268 31.067 29.762 0.062 0.000 1.581 92 H HN 0.794 nan 8.280 nan 0.000 0.553 93 F N -1.985 117.777 119.950 -0.313 0.000 2.769 93 F HA 0.390 4.917 4.527 -0.000 0.000 0.313 93 F C -1.803 173.863 175.800 -0.223 0.000 1.146 93 F CA -1.370 56.484 58.000 -0.243 0.000 0.934 93 F CB 0.764 39.617 39.000 -0.245 0.000 1.283 93 F HN -0.349 nan 8.300 nan 0.000 0.443 94 V N 2.977 122.758 119.914 -0.222 0.000 2.403 94 V HA 0.500 4.620 4.120 -0.000 0.000 0.265 94 V C 0.829 176.670 176.094 -0.422 0.000 1.034 94 V CA 1.116 63.232 62.300 -0.307 0.000 1.036 94 V CB -0.246 31.509 31.823 -0.114 0.000 1.032 94 V HN 1.519 nan 8.190 nan 0.000 0.478 95 G N 3.673 112.057 108.800 -0.693 0.000 2.318 95 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.172 95 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.172 95 G C 0.203 174.585 174.900 -0.862 0.000 1.002 95 G CA -0.060 44.684 45.100 -0.592 0.000 0.697 95 G HN 0.628 nan 8.290 nan 0.000 0.483 96 Q N 1.636 120.602 119.800 -1.391 0.000 2.271 96 Q HA 0.368 4.708 4.340 -0.000 0.000 0.273 96 Q C -2.312 173.387 176.000 -0.503 0.000 1.051 96 Q CA -1.409 53.815 55.803 -0.964 0.000 0.901 96 Q CB 0.698 28.867 28.738 -0.948 0.000 1.174 96 Q HN 0.147 nan 8.270 nan 0.000 0.385 97 P HA -0.055 nan 4.420 nan 0.000 0.263 97 P C -0.418 176.719 177.300 -0.271 0.000 1.195 97 P CA 0.713 63.520 63.100 -0.487 0.000 0.762 97 P CB 0.547 31.587 31.700 -1.101 0.000 0.799 98 I N 3.120 123.586 120.570 -0.174 0.000 3.136 98 I HA 0.128 4.298 4.170 -0.000 0.000 0.262 98 I C 0.739 176.965 176.117 0.182 0.000 1.132 98 I CA 0.559 61.868 61.300 0.015 0.000 1.450 98 I CB 0.079 38.140 38.000 0.102 0.000 1.315 98 I HN 0.262 nan 8.210 nan 0.000 0.460 99 F N -0.143 119.885 119.950 0.130 0.000 2.640 99 F HA 0.767 5.293 4.527 -0.000 0.000 0.324 99 F C -1.213 174.786 175.800 0.331 0.000 1.077 99 F CA -1.478 56.642 58.000 0.199 0.000 0.965 99 F CB 1.235 40.312 39.000 0.129 0.000 1.351 99 F HN -0.301 nan 8.300 nan 0.000 0.487 100 L N 2.339 123.889 121.223 0.545 0.000 2.356 100 L HA 0.765 5.104 4.340 -0.000 0.000 0.277 100 L C -1.438 175.716 176.870 0.472 0.000 0.996 100 L CA -0.758 54.331 54.840 0.415 0.000 0.822 100 L CB 1.866 44.141 42.059 0.360 0.000 1.256 100 L HN 0.617 nan 8.230 nan 0.000 0.413 101 V N 4.163 124.259 119.914 0.304 0.000 2.435 101 V HA 0.825 4.945 4.120 -0.000 0.000 0.290 101 V C 0.222 176.439 176.094 0.205 0.000 1.030 101 V CA -0.451 62.017 62.300 0.279 0.000 0.881 101 V CB 1.287 33.255 31.823 0.242 0.000 0.983 101 V HN 0.922 nan 8.190 nan 0.000 0.445 102 A N 3.938 126.893 122.820 0.225 0.000 2.328 102 A HA 0.898 5.217 4.320 -0.000 0.000 0.318 102 A C 0.072 177.739 177.584 0.138 0.000 1.347 102 A CA -0.107 52.042 52.037 0.188 0.000 0.842 102 A CB 0.668 19.832 19.000 0.274 0.000 1.148 102 A HN 1.246 nan 8.150 nan 0.000 0.499 103 A N 1.422 124.320 122.820 0.129 0.000 2.344 103 A HA 0.759 5.079 4.320 -0.000 0.000 0.307 103 A C 1.175 178.851 177.584 0.154 0.000 1.151 103 A CA 0.242 52.350 52.037 0.118 0.000 0.842 103 A CB 0.424 19.482 19.000 0.097 0.000 1.350 103 A HN 1.308 nan 8.150 nan 0.000 0.459 104 T N -1.814 112.821 114.554 0.135 0.000 3.088 104 T HA 0.239 4.589 4.350 -0.000 0.000 0.259 104 T C 0.645 175.483 174.700 0.230 0.000 1.122 104 T CA 0.972 63.171 62.100 0.164 0.000 1.095 104 T CB -0.660 68.269 68.868 0.100 0.000 0.930 104 T HN 1.564 nan 8.240 nan 0.000 0.508 105 S N -0.885 114.906 115.700 0.150 0.000 2.556 105 S HA 0.366 4.836 4.470 -0.000 0.000 0.271 105 S C 0.487 175.051 174.600 -0.059 0.000 1.135 105 S CA -0.841 57.337 58.200 -0.037 0.000 0.858 105 S CB 1.357 64.532 63.200 -0.042 0.000 1.114 105 S HN 0.230 nan 8.310 nan 0.000 0.468 106 H N 1.697 120.545 119.070 -0.370 0.000 2.319 106 H HA -0.083 4.473 4.556 -0.000 0.000 0.297 106 H C 1.791 177.095 175.328 -0.039 0.000 1.097 106 H CA 1.981 57.943 56.048 -0.145 0.000 1.285 106 H CB 0.031 29.689 29.762 -0.174 0.000 1.368 106 H HN 0.528 nan 8.280 nan 0.000 0.495 107 R N 0.314 120.784 120.500 -0.050 0.000 2.083 107 R HA -0.096 4.244 4.340 -0.000 0.000 0.237 107 R C 2.542 178.809 176.300 -0.055 0.000 1.137 107 R CA 1.013 57.077 56.100 -0.059 0.000 0.951 107 R CB -0.836 29.462 30.300 -0.003 0.000 0.851 107 R HN 0.390 nan 8.270 nan 0.000 0.434 108 A N 1.184 123.991 122.820 -0.022 0.000 1.917 108 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 108 A C 2.398 179.988 177.584 0.009 0.000 1.182 108 A CA 2.074 54.114 52.037 0.005 0.000 0.633 108 A CB -0.586 18.431 19.000 0.029 0.000 0.819 108 A HN 0.403 nan 8.150 nan 0.000 0.448 109 A N -0.683 122.136 122.820 -0.002 0.000 1.898 109 A HA -0.115 4.204 4.320 -0.000 0.000 0.216 109 A C 2.266 179.836 177.584 -0.024 0.000 1.181 109 A CA 1.294 53.337 52.037 0.011 0.000 0.620 109 A CB -0.442 18.570 19.000 0.020 0.000 0.819 109 A HN 0.466 nan 8.150 nan 0.000 0.442 110 R N -0.455 119.979 120.500 -0.109 0.000 2.080 110 R HA -0.107 4.233 4.340 -0.000 0.000 0.236 110 R C 2.080 178.364 176.300 -0.026 0.000 1.137 110 R CA 1.672 57.710 56.100 -0.102 0.000 0.943 110 R CB -0.821 29.375 30.300 -0.173 0.000 0.846 110 R HN 0.597 nan 8.270 nan 0.000 0.431 111 I N 0.787 121.347 120.570 -0.017 0.000 2.151 111 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 111 I C 2.597 178.737 176.117 0.039 0.000 1.080 111 I CA 1.638 62.945 61.300 0.011 0.000 1.339 111 I CB -0.392 37.613 38.000 0.009 0.000 1.039 111 I HN 0.188 nan 8.210 nan 0.000 0.409 112 A N 0.346 123.198 122.820 0.053 0.000 1.969 112 A HA -0.079 4.240 4.320 -0.000 0.000 0.218 112 A C 2.476 180.161 177.584 0.168 0.000 1.169 112 A CA 1.485 53.576 52.037 0.090 0.000 0.635 112 A CB -0.752 18.302 19.000 0.090 0.000 0.810 112 A HN 0.442 nan 8.150 nan 0.000 0.445 113 A N -0.257 122.665 122.820 0.170 0.000 2.070 113 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 113 A C 2.135 179.871 177.584 0.253 0.000 1.159 113 A CA 1.409 53.587 52.037 0.235 0.000 0.656 113 A CB -0.374 18.645 19.000 0.032 0.000 0.800 113 A HN 0.563 nan 8.150 nan 0.000 0.453 114 R N -0.896 119.695 120.500 0.150 0.000 2.280 114 R HA 0.101 4.441 4.340 -0.000 0.000 0.195 114 R C 1.162 177.530 176.300 0.115 0.000 0.935 114 R CA 0.573 56.741 56.100 0.114 0.000 1.033 114 R CB 0.029 30.364 30.300 0.058 0.000 0.964 114 R HN 0.381 nan 8.270 nan 0.000 0.489 115 K N 0.727 121.195 120.400 0.113 0.000 2.444 115 K HA 0.184 4.504 4.320 -0.000 0.000 0.193 115 K C 0.339 176.951 176.600 0.020 0.000 1.024 115 K CA -0.192 56.127 56.287 0.055 0.000 1.077 115 K CB 0.725 33.245 32.500 0.032 0.000 0.833 115 K HN 0.062 nan 8.250 nan 0.000 0.517 116 A N 1.651 124.498 122.820 0.045 0.000 2.366 116 A HA 0.208 4.528 4.320 -0.000 0.000 0.249 116 A C -0.243 177.324 177.584 -0.028 0.000 1.084 116 A CA -0.093 51.904 52.037 -0.068 0.000 0.794 116 A CB 0.311 19.235 19.000 -0.127 0.000 1.034 116 A HN 0.243 nan 8.150 nan 0.000 0.491 117 R N 0.602 121.056 120.500 -0.077 0.000 2.310 117 R HA 0.551 4.891 4.340 -0.000 0.000 0.324 117 R C -1.387 174.855 176.300 -0.096 0.000 0.955 117 R CA -0.053 56.012 56.100 -0.058 0.000 0.830 117 R CB 1.072 31.337 30.300 -0.058 0.000 1.154 117 R HN 0.665 nan 8.270 nan 0.000 0.458 118 I N 2.014 122.523 120.570 -0.101 0.000 2.466 118 I HA 0.261 4.431 4.170 -0.000 0.000 0.289 118 I C 0.050 175.975 176.117 -0.319 0.000 1.026 118 I CA -0.833 60.314 61.300 -0.254 0.000 1.078 118 I CB 2.379 40.171 38.000 -0.347 0.000 1.249 118 I HN 0.517 nan 8.210 nan 0.000 0.429 119 T N 1.856 116.218 114.554 -0.320 0.000 2.771 119 T HA 0.645 4.995 4.350 -0.000 0.000 0.281 119 T C -0.726 173.801 174.700 -0.290 0.000 0.982 119 T CA -0.573 61.406 62.100 -0.202 0.000 0.978 119 T CB 0.791 69.605 68.868 -0.090 0.000 0.930 119 T HN 0.273 nan 8.240 nan 0.000 0.447 120 Y N 0.924 121.209 120.300 -0.026 0.000 2.534 120 Y HA 0.634 5.184 4.550 -0.000 0.000 0.329 120 Y C 0.505 176.386 175.900 -0.031 0.000 1.154 120 Y CA -1.516 56.563 58.100 -0.035 0.000 1.192 120 Y CB 1.650 40.083 38.460 -0.045 0.000 1.275 120 Y HN 0.894 nan 8.280 nan 0.000 0.491 121 A N 2.595 125.500 122.820 0.143 0.000 2.786 121 A HA 0.526 4.845 4.320 -0.000 0.000 0.346 121 A C -2.815 174.799 177.584 0.051 0.000 1.265 121 A CA -1.803 50.276 52.037 0.069 0.000 0.858 121 A CB -0.570 18.450 19.000 0.034 0.000 1.118 121 A HN 0.405 nan 8.150 nan 0.000 0.482 122 P HA 0.076 nan 4.420 nan 0.000 0.263 122 P C -0.057 177.236 177.300 -0.011 0.000 1.175 122 P CA 0.748 63.844 63.100 -0.007 0.000 0.761 122 P CB 0.398 32.090 31.700 -0.014 0.000 0.794 123 R N 3.757 124.242 120.500 -0.026 0.000 2.892 123 R HA 0.529 4.869 4.340 -0.000 0.000 0.265 123 R C -2.388 173.899 176.300 -0.022 0.000 1.025 123 R CA -2.160 53.928 56.100 -0.020 0.000 0.982 123 R CB 0.290 30.577 30.300 -0.022 0.000 1.185 123 R HN 0.252 nan 8.270 nan 0.000 0.484 124 P HA 0.059 nan 4.420 nan 0.000 0.264 124 P C -1.084 176.207 177.300 -0.014 0.000 1.229 124 P CA 0.153 63.246 63.100 -0.012 0.000 0.780 124 P CB 0.656 32.352 31.700 -0.008 0.000 0.808 125 A N 4.281 127.089 122.820 -0.019 0.000 2.340 125 A HA 0.448 4.768 4.320 -0.000 0.000 0.268 125 A C 0.010 177.582 177.584 -0.020 0.000 1.100 125 A CA -0.442 51.583 52.037 -0.020 0.000 0.803 125 A CB -0.007 18.975 19.000 -0.030 0.000 1.043 125 A HN 0.518 nan 8.150 nan 0.000 0.488 126 I N 2.772 123.329 120.570 -0.021 0.000 2.371 126 I HA 0.211 4.380 4.170 -0.000 0.000 0.282 126 I C 0.375 176.456 176.117 -0.061 0.000 1.031 126 I CA 0.202 61.481 61.300 -0.035 0.000 1.180 126 I CB 0.878 38.858 38.000 -0.033 0.000 1.336 126 I HN 0.655 nan 8.210 nan 0.000 0.467 127 L N 3.507 124.686 121.223 -0.072 0.000 2.547 127 L HA 0.178 4.518 4.340 -0.000 0.000 0.218 127 L C 1.231 178.016 176.870 -0.142 0.000 1.048 127 L CA 0.296 55.063 54.840 -0.121 0.000 0.859 127 L CB 0.130 42.134 42.059 -0.091 0.000 1.128 127 L HN 0.629 nan 8.230 nan 0.000 0.483 128 T N -2.885 111.617 114.554 -0.087 0.000 2.936 128 T HA 0.398 4.748 4.350 -0.000 0.000 0.282 128 T C 0.964 175.618 174.700 -0.077 0.000 1.003 128 T CA -0.583 61.472 62.100 -0.075 0.000 1.005 128 T CB 1.771 70.618 68.868 -0.035 0.000 1.097 128 T HN -0.084 nan 8.240 nan 0.000 0.532 129 L N 0.534 121.715 121.223 -0.070 0.000 2.109 129 L HA 0.080 4.420 4.340 -0.000 0.000 0.207 129 L C 2.254 179.084 176.870 -0.066 0.000 1.086 129 L CA 1.479 56.275 54.840 -0.073 0.000 0.760 129 L CB -0.793 41.224 42.059 -0.071 0.000 0.910 129 L HN 0.701 nan 8.230 nan 0.000 0.437 130 D N -0.794 119.575 120.400 -0.052 0.000 2.144 130 D HA -0.199 4.441 4.640 -0.000 0.000 0.199 130 D C 2.205 178.477 176.300 -0.046 0.000 0.984 130 D CA 0.922 54.893 54.000 -0.048 0.000 0.834 130 D CB -0.151 40.631 40.800 -0.031 0.000 0.955 130 D HN 0.366 nan 8.370 nan 0.000 0.465 131 Q N 0.225 119.999 119.800 -0.043 0.000 2.050 131 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 131 Q C 2.341 178.313 176.000 -0.047 0.000 0.980 131 Q CA 1.412 57.191 55.803 -0.039 0.000 0.840 131 Q CB -0.216 28.500 28.738 -0.037 0.000 0.898 131 Q HN 0.328 nan 8.270 nan 0.000 0.424 132 A N 0.680 123.466 122.820 -0.058 0.000 1.902 132 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 132 A C 2.009 179.555 177.584 -0.062 0.000 1.181 132 A CA 1.109 53.108 52.037 -0.064 0.000 0.623 132 A CB -0.573 18.383 19.000 -0.074 0.000 0.818 132 A HN 0.307 nan 8.150 nan 0.000 0.443 133 L N -0.422 120.760 121.223 -0.068 0.000 2.093 133 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 133 L C 2.748 179.584 176.870 -0.058 0.000 1.085 133 L CA 1.949 56.742 54.840 -0.079 0.000 0.755 133 L CB -0.901 41.088 42.059 -0.116 0.000 0.904 133 L HN 0.372 nan 8.230 nan 0.000 0.435 134 A N -0.869 121.922 122.820 -0.049 0.000 1.873 134 A HA -0.029 4.291 4.320 -0.000 0.000 0.215 134 A C 2.290 179.856 177.584 -0.029 0.000 1.186 134 A CA 1.488 53.503 52.037 -0.035 0.000 0.616 134 A CB -0.971 18.011 19.000 -0.030 0.000 0.823 134 A HN 0.448 nan 8.150 nan 0.000 0.442 135 A N -1.522 121.279 122.820 -0.033 0.000 2.206 135 A HA 0.225 4.545 4.320 -0.000 0.000 0.211 135 A C 0.875 178.440 177.584 -0.032 0.000 1.158 135 A CA 1.295 53.314 52.037 -0.029 0.000 0.761 135 A CB -0.483 18.498 19.000 -0.031 0.000 0.801 135 A HN 0.631 nan 8.150 nan 0.000 0.473 136 D N -1.395 118.984 120.400 -0.035 0.000 2.870 136 D HA -0.157 4.483 4.640 -0.000 0.000 0.228 136 D C 0.083 176.349 176.300 -0.056 0.000 1.147 136 D CA 1.010 54.991 54.000 -0.032 0.000 0.757 136 D CB -1.577 39.212 40.800 -0.019 0.000 1.091 136 D HN 0.296 nan 8.370 nan 0.000 0.429 137 S N 0.294 115.949 115.700 -0.075 0.000 2.423 137 S HA 0.329 4.799 4.470 -0.000 0.000 0.302 137 S C 0.082 174.576 174.600 -0.177 0.000 1.143 137 S CA -0.164 57.961 58.200 -0.125 0.000 1.080 137 S CB 0.022 63.157 63.200 -0.109 0.000 1.081 137 S HN 0.435 nan 8.310 nan 0.000 0.522 138 R N 3.118 123.476 120.500 -0.236 0.000 2.764 138 R HA 0.506 4.846 4.340 -0.000 0.000 0.270 138 R C -1.619 174.464 176.300 -0.361 0.000 1.014 138 R CA -0.815 55.147 56.100 -0.231 0.000 0.904 138 R CB 0.571 30.837 30.300 -0.056 0.000 1.236 138 R HN 0.397 nan 8.270 nan 0.000 0.466 139 F N 0.759 120.698 119.950 -0.018 0.000 2.440 139 F HA 0.319 4.846 4.527 -0.000 0.000 0.328 139 F C 0.647 176.432 175.800 -0.024 0.000 1.070 139 F CA -0.167 57.818 58.000 -0.026 0.000 1.011 139 F CB 1.412 40.388 39.000 -0.039 0.000 1.226 139 F HN 0.853 nan 8.300 nan 0.000 0.491 140 E N -0.062 120.254 120.200 0.193 0.000 3.496 140 E HA -0.209 4.141 4.350 -0.000 0.000 0.300 140 E C 0.720 177.349 176.600 0.048 0.000 0.877 140 E CA 0.492 56.947 56.400 0.092 0.000 1.050 140 E CB -1.638 28.102 29.700 0.065 0.000 1.532 140 E HN 1.105 nan 8.360 nan 0.000 0.447 141 G N -0.158 108.666 108.800 0.039 0.000 2.334 141 G HA2 0.083 4.043 3.960 -0.000 0.000 0.279 141 G HA3 0.083 4.043 3.960 -0.000 0.000 0.279 141 G C 0.507 175.413 174.900 0.010 0.000 0.918 141 G CA 1.082 46.191 45.100 0.015 0.000 1.314 141 G HN 1.195 nan 8.290 nan 0.000 0.463 142 G N 0.253 109.057 108.800 0.007 0.000 2.362 142 G HA2 0.456 4.416 3.960 -0.000 0.000 0.656 142 G HA3 0.456 4.416 3.960 -0.000 0.000 0.656 142 G C -2.820 172.049 174.900 -0.052 0.000 1.376 142 G CA -0.177 44.920 45.100 -0.005 0.000 0.971 142 G HN 0.810 nan 8.290 nan 0.000 0.636 143 P HA 0.534 nan 4.420 nan 0.000 0.281 143 P C -0.111 177.063 177.300 -0.209 0.000 1.249 143 P CA -0.411 62.495 63.100 -0.324 0.000 0.810 143 P CB 1.613 32.882 31.700 -0.719 0.000 1.008 144 V N 3.981 123.760 119.914 -0.226 0.000 2.432 144 V HA 0.271 4.391 4.120 -0.000 0.000 0.275 144 V C 0.592 176.542 176.094 -0.241 0.000 1.043 144 V CA -0.209 61.971 62.300 -0.201 0.000 0.925 144 V CB 0.378 32.044 31.823 -0.262 0.000 0.985 144 V HN 0.354 nan 8.190 nan 0.000 0.466 145 I N 4.686 125.195 120.570 -0.101 0.000 2.410 145 I HA 0.405 4.575 4.170 -0.000 0.000 0.286 145 I C -0.960 175.299 176.117 0.235 0.000 1.009 145 I CA -0.349 60.947 61.300 -0.006 0.000 1.111 145 I CB 1.521 39.539 38.000 0.030 0.000 1.262 145 I HN 0.499 nan 8.210 nan 0.000 0.443 146 W N 4.931 126.288 121.300 0.095 0.000 2.627 146 W HA 0.802 5.462 4.660 -0.000 0.000 0.339 146 W C -0.158 176.437 176.519 0.127 0.000 1.058 146 W CA -1.486 55.942 57.345 0.138 0.000 1.223 146 W CB 1.845 31.438 29.460 0.222 0.000 1.389 146 W HN 0.424 nan 8.180 nan 0.000 0.541 147 A N 3.192 126.220 122.820 0.346 0.000 2.488 147 A HA 0.689 5.009 4.320 -0.000 0.000 0.295 147 A C -1.232 176.460 177.584 0.181 0.000 1.045 147 A CA -0.899 51.273 52.037 0.224 0.000 0.703 147 A CB 1.804 20.895 19.000 0.153 0.000 1.271 147 A HN 0.599 nan 8.150 nan 0.000 0.400 148 R N 2.149 122.747 120.500 0.164 0.000 2.437 148 R HA 0.579 4.919 4.340 -0.000 0.000 0.310 148 R C 0.668 177.015 176.300 0.078 0.000 0.955 148 R CA 0.841 57.014 56.100 0.122 0.000 0.851 148 R CB 1.245 31.631 30.300 0.144 0.000 1.161 148 R HN 2.340 nan 8.270 nan 0.000 0.446 149 G N 3.031 111.869 108.800 0.062 0.000 2.562 149 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.250 149 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.250 149 G C -0.988 173.936 174.900 0.039 0.000 1.269 149 G CA 0.177 45.304 45.100 0.044 0.000 0.919 149 G HN 0.649 nan 8.290 nan 0.000 0.574 150 D N 0.498 120.914 120.400 0.026 0.000 2.454 150 D HA 0.458 5.098 4.640 -0.000 0.000 0.247 150 D C 1.785 178.089 176.300 0.007 0.000 1.129 150 D CA 0.197 54.209 54.000 0.020 0.000 0.877 150 D CB 1.196 42.006 40.800 0.017 0.000 1.082 150 D HN 0.686 nan 8.370 nan 0.000 0.537 151 V N 2.479 122.396 119.914 0.006 0.000 2.307 151 V HA -0.132 3.988 4.120 -0.000 0.000 0.245 151 V C 2.127 178.209 176.094 -0.020 0.000 1.045 151 V CA 1.131 63.423 62.300 -0.013 0.000 1.024 151 V CB -0.621 31.193 31.823 -0.015 0.000 0.651 151 V HN 0.335 nan 8.190 nan 0.000 0.449 152 E N 1.154 121.347 120.200 -0.012 0.000 2.085 152 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 152 E C 2.282 178.872 176.600 -0.016 0.000 0.994 152 E CA 2.233 58.624 56.400 -0.016 0.000 0.801 152 E CB -0.760 28.936 29.700 -0.007 0.000 0.743 152 E HN 0.723 nan 8.360 nan 0.000 0.453 153 T N 0.000 114.548 114.554 -0.010 0.000 2.737 153 T HA -0.111 4.239 4.350 -0.000 0.000 0.265 153 T C 1.847 176.538 174.700 -0.014 0.000 1.038 153 T CA 1.411 63.505 62.100 -0.009 0.000 1.144 153 T CB -0.489 68.378 68.868 -0.001 0.000 0.866 153 T HN 0.303 nan 8.240 nan 0.000 0.434 154 A N 1.357 124.168 122.820 -0.015 0.000 1.883 154 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 154 A C 2.324 179.890 177.584 -0.029 0.000 1.186 154 A CA 1.353 53.379 52.037 -0.019 0.000 0.624 154 A CB -0.990 17.997 19.000 -0.022 0.000 0.822 154 A HN 0.460 nan 8.150 nan 0.000 0.444 155 L N -0.724 120.476 121.223 -0.038 0.000 2.083 155 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 155 L C 3.091 179.934 176.870 -0.045 0.000 1.083 155 L CA 1.017 55.828 54.840 -0.048 0.000 0.752 155 L CB -0.552 41.471 42.059 -0.059 0.000 0.899 155 L HN 0.446 nan 8.230 nan 0.000 0.433 156 A N 0.147 122.945 122.820 -0.037 0.000 1.908 156 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 156 A C 2.171 179.733 177.584 -0.036 0.000 1.181 156 A CA 1.917 53.933 52.037 -0.035 0.000 0.627 156 A CB -1.075 17.909 19.000 -0.026 0.000 0.818 156 A HN 0.456 nan 8.150 nan 0.000 0.445 157 G N -1.271 107.510 108.800 -0.032 0.000 3.284 157 G HA2 0.435 4.395 3.960 -0.000 0.000 0.236 157 G HA3 0.435 4.395 3.960 -0.000 0.000 0.236 157 G C 0.449 175.326 174.900 -0.038 0.000 1.158 157 G CA 0.513 45.594 45.100 -0.032 0.000 0.774 157 G HN 0.760 nan 8.290 nan 0.000 0.545 158 A N 0.541 123.336 122.820 -0.043 0.000 2.451 158 A HA 0.620 4.940 4.320 -0.000 0.000 0.266 158 A C 1.718 179.258 177.584 -0.074 0.000 1.119 158 A CA 0.427 52.439 52.037 -0.042 0.000 0.786 158 A CB 0.611 19.590 19.000 -0.036 0.000 1.061 158 A HN 0.667 nan 8.150 nan 0.000 0.503 159 A N 2.645 125.414 122.820 -0.086 0.000 1.978 159 A HA -0.039 4.281 4.320 -0.000 0.000 0.220 159 A C 0.999 178.311 177.584 -0.453 0.000 1.170 159 A CA 1.286 53.189 52.037 -0.223 0.000 0.636 159 A CB -0.379 18.521 19.000 -0.167 0.000 0.810 159 A HN 0.856 nan 8.150 nan 0.000 0.448 160 H N -2.386 116.657 119.070 -0.046 0.000 2.768 160 H HA 0.698 5.254 4.556 -0.000 0.000 0.371 160 H C -1.503 173.781 175.328 -0.074 0.000 1.151 160 H CA -0.647 55.367 56.048 -0.056 0.000 1.165 160 H CB 1.599 31.330 29.762 -0.052 0.000 1.722 160 H HN 0.228 nan 8.280 nan 0.000 0.543 161 L N 1.225 122.464 121.223 0.026 0.000 2.472 161 L HA 0.672 5.012 4.340 -0.000 0.000 0.260 161 L C -1.324 175.475 176.870 -0.120 0.000 0.963 161 L CA -0.602 54.204 54.840 -0.056 0.000 0.829 161 L CB 1.966 43.979 42.059 -0.077 0.000 1.348 161 L HN 0.776 nan 8.230 nan 0.000 0.408 162 A N 3.432 126.146 122.820 -0.177 0.000 2.375 162 A HA 0.696 5.016 4.320 -0.000 0.000 0.295 162 A C -1.241 176.149 177.584 -0.323 0.000 1.066 162 A CA -0.502 51.324 52.037 -0.351 0.000 0.722 162 A CB 1.168 19.923 19.000 -0.409 0.000 1.206 162 A HN 0.683 nan 8.150 nan 0.000 0.435 163 E N 0.970 120.910 120.200 -0.433 0.000 2.202 163 E HA 0.705 5.055 4.350 -0.000 0.000 0.272 163 E C 0.167 176.396 176.600 -0.618 0.000 0.951 163 E CA -0.626 55.516 56.400 -0.430 0.000 0.813 163 E CB 2.376 31.908 29.700 -0.280 0.000 1.151 163 E HN 0.931 nan 8.360 nan 0.000 0.398 164 G N 0.114 108.350 108.800 -0.940 0.000 2.495 164 G HA2 0.462 4.422 3.960 -0.000 0.000 0.294 164 G HA3 0.462 4.422 3.960 -0.000 0.000 0.294 164 G C -1.813 172.655 174.900 -0.720 0.000 1.397 164 G CA -0.424 44.200 45.100 -0.793 0.000 0.790 164 G HN 0.637 nan 8.290 nan 0.000 0.486 165 C N 0.132 119.405 119.300 -0.045 0.000 3.094 165 C HA 0.811 5.271 4.460 -0.000 0.000 0.414 165 C C -1.527 173.763 174.990 0.498 0.000 0.993 165 C CA -1.058 58.097 59.018 0.227 0.000 1.217 165 C CB -0.381 27.418 27.740 0.097 0.000 1.603 165 C HN 1.502 nan 8.230 nan 0.000 0.564 166 F N 3.435 123.552 119.950 0.278 0.000 2.645 166 F HA 0.809 5.336 4.527 -0.000 0.000 0.310 166 F C -0.736 175.177 175.800 0.189 0.000 1.102 166 F CA -0.684 57.461 58.000 0.242 0.000 0.952 166 F CB 1.135 40.312 39.000 0.295 0.000 1.326 166 F HN 0.399 nan 8.300 nan 0.000 0.456 167 E N 2.683 122.876 120.200 -0.012 0.000 2.216 167 E HA 0.463 4.813 4.350 -0.000 0.000 0.279 167 E C -0.855 175.598 176.600 -0.246 0.000 0.997 167 E CA -0.449 55.875 56.400 -0.126 0.000 0.817 167 E CB 2.490 32.200 29.700 0.017 0.000 1.096 167 E HN 0.620 nan 8.360 nan 0.000 0.393 168 I N 1.605 122.028 120.570 -0.246 0.000 2.382 168 I HA 0.276 4.446 4.170 -0.000 0.000 0.286 168 I C 0.817 176.934 176.117 -0.000 0.000 1.002 168 I CA -0.813 60.368 61.300 -0.198 0.000 1.135 168 I CB 1.772 39.664 38.000 -0.181 0.000 1.288 168 I HN 0.370 nan 8.210 nan 0.000 0.448 169 G N 3.872 112.658 108.800 -0.024 0.000 2.527 169 G HA2 0.452 4.412 3.960 -0.000 0.000 0.248 169 G HA3 0.452 4.412 3.960 -0.000 0.000 0.248 169 G C 0.475 175.554 174.900 0.298 0.000 1.231 169 G CA -0.168 45.000 45.100 0.113 0.000 0.838 169 G HN 0.727 nan 8.290 nan 0.000 0.570 170 G N -1.031 107.966 108.800 0.328 0.000 2.486 170 G HA2 0.484 4.444 3.960 -0.000 0.000 0.272 170 G HA3 0.484 4.444 3.960 -0.000 0.000 0.272 170 G C -0.231 174.903 174.900 0.390 0.000 1.426 170 G CA -0.258 45.057 45.100 0.360 0.000 1.058 170 G HN 0.709 nan 8.290 nan 0.000 0.531 171 Q N -1.183 118.763 119.800 0.242 0.000 2.327 171 Q HA 0.308 4.648 4.340 -0.000 0.000 0.265 171 Q C -1.689 174.440 176.000 0.215 0.000 0.993 171 Q CA -0.680 55.276 55.803 0.256 0.000 0.885 171 Q CB 2.241 30.944 28.738 -0.059 0.000 1.379 171 Q HN 0.534 nan 8.270 nan 0.000 0.408 172 E N 1.438 121.699 120.200 0.102 0.000 2.259 172 E HA 0.155 4.505 4.350 -0.000 0.000 0.281 172 E C -0.183 176.396 176.600 -0.034 0.000 1.027 172 E CA 0.387 56.659 56.400 -0.213 0.000 0.838 172 E CB 0.712 29.928 29.700 -0.808 0.000 1.066 172 E HN 0.674 nan 8.360 nan 0.000 0.401 173 H N 4.016 122.938 119.070 -0.246 0.000 2.319 173 H HA -0.070 4.486 4.556 -0.000 0.000 0.299 173 H C 0.162 175.291 175.328 -0.332 0.000 1.092 173 H CA 1.639 57.336 56.048 -0.586 0.000 1.302 173 H CB -0.258 29.028 29.762 -0.794 0.000 1.373 173 H HN 0.641 nan 8.280 nan 0.000 0.497 174 F N 0.778 120.440 119.950 -0.481 0.000 2.943 174 F HA -0.257 4.270 4.527 -0.000 0.000 0.258 174 F C -0.819 174.840 175.800 -0.236 0.000 0.995 174 F CA -0.533 57.261 58.000 -0.342 0.000 0.896 174 F CB -1.947 37.006 39.000 -0.079 0.000 0.821 174 F HN 0.151 nan 8.300 nan 0.000 0.828 175 Y N 0.253 120.534 120.300 -0.032 0.000 2.610 175 Y HA 0.212 4.762 4.550 -0.000 0.000 0.332 175 Y C 1.114 176.870 175.900 -0.239 0.000 1.201 175 Y CA -1.224 56.889 58.100 0.021 0.000 1.465 175 Y CB 0.033 38.566 38.460 0.122 0.000 1.283 175 Y HN 0.136 nan 8.280 nan 0.000 0.563 176 L N 1.210 122.415 121.223 -0.030 0.000 2.083 176 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 176 L C 1.165 177.946 176.870 -0.147 0.000 1.083 176 L CA 1.406 56.131 54.840 -0.192 0.000 0.752 176 L CB -0.727 41.244 42.059 -0.146 0.000 0.899 176 L HN 0.858 nan 8.230 nan 0.000 0.433 177 E N 0.098 120.226 120.200 -0.121 0.000 2.229 177 E HA 0.298 4.648 4.350 -0.000 0.000 0.283 177 E C 0.222 176.770 176.600 -0.087 0.000 1.030 177 E CA -0.206 56.094 56.400 -0.166 0.000 0.836 177 E CB 1.217 30.750 29.700 -0.278 0.000 1.068 177 E HN 0.213 nan 8.360 nan 0.000 0.401 178 G N 3.130 111.904 108.800 -0.042 0.000 2.611 178 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.273 178 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.273 178 G C -0.121 174.663 174.900 -0.194 0.000 1.305 178 G CA -0.463 44.651 45.100 0.023 0.000 1.010 178 G HN 0.552 nan 8.290 nan 0.000 0.509 179 Q N -0.518 119.193 119.800 -0.150 0.000 2.332 179 Q HA 0.489 4.829 4.340 -0.000 0.000 0.263 179 Q C -0.039 175.777 176.000 -0.307 0.000 0.979 179 Q CA 0.216 55.834 55.803 -0.307 0.000 0.885 179 Q CB 1.437 29.955 28.738 -0.367 0.000 1.218 179 Q HN 0.665 nan 8.270 nan 0.000 0.405 180 A N 0.957 123.625 122.820 -0.254 0.000 2.589 180 A HA 0.828 5.148 4.320 -0.000 0.000 0.296 180 A C -1.646 175.862 177.584 -0.126 0.000 1.062 180 A CA -0.106 51.826 52.037 -0.175 0.000 0.686 180 A CB 1.768 20.704 19.000 -0.106 0.000 1.282 180 A HN 0.712 nan 8.150 nan 0.000 0.404 181 A N 0.231 122.994 122.820 -0.096 0.000 2.594 181 A HA 0.896 5.216 4.320 -0.000 0.000 0.291 181 A C -1.849 175.716 177.584 -0.031 0.000 1.105 181 A CA -0.451 51.552 52.037 -0.057 0.000 0.694 181 A CB 1.686 20.646 19.000 -0.067 0.000 1.291 181 A HN 2.212 nan 8.150 nan 0.000 0.410 182 L N 0.703 121.924 121.223 -0.004 0.000 2.611 182 L HA 0.736 5.076 4.340 -0.000 0.000 0.263 182 L C -0.369 176.504 176.870 0.004 0.000 0.969 182 L CA -0.008 54.838 54.840 0.010 0.000 0.894 182 L CB 1.145 43.235 42.059 0.052 0.000 1.229 182 L HN 1.292 nan 8.230 nan 0.000 0.416 183 A N 5.870 128.672 122.820 -0.030 0.000 2.274 183 A HA 0.785 5.104 4.320 -0.000 0.000 0.309 183 A C -0.919 176.646 177.584 -0.031 0.000 1.226 183 A CA -0.372 51.638 52.037 -0.046 0.000 0.853 183 A CB 0.429 19.395 19.000 -0.056 0.000 1.146 183 A HN 0.712 nan 8.150 nan 0.000 0.518 184 L N 4.785 125.985 121.223 -0.039 0.000 2.316 184 L HA 0.355 4.695 4.340 -0.000 0.000 0.280 184 L C -2.209 174.644 176.870 -0.028 0.000 1.006 184 L CA -2.079 52.750 54.840 -0.019 0.000 0.836 184 L CB 1.944 44.006 42.059 0.006 0.000 1.221 184 L HN 0.491 nan 8.230 nan 0.000 0.418 185 P HA 0.014 nan 4.420 nan 0.000 0.259 185 P C -0.577 176.716 177.300 -0.012 0.000 1.211 185 P CA 0.113 63.205 63.100 -0.013 0.000 0.810 185 P CB 0.747 32.446 31.700 -0.003 0.000 0.815 186 A N 4.272 127.081 122.820 -0.019 0.000 2.399 186 A HA 0.310 4.629 4.320 -0.000 0.000 0.327 186 A C 0.439 178.013 177.584 -0.017 0.000 1.367 186 A CA -0.763 51.263 52.037 -0.018 0.000 0.842 186 A CB -0.189 18.796 19.000 -0.026 0.000 1.142 186 A HN 0.628 nan 8.150 nan 0.000 0.495 187 E N 1.787 121.980 120.200 -0.011 0.000 1.414 187 E HA -0.111 4.239 4.350 -0.000 0.000 0.351 187 E C 0.989 177.580 176.600 -0.015 0.000 0.578 187 E CA 0.724 57.118 56.400 -0.011 0.000 1.318 187 E CB -1.168 28.525 29.700 -0.011 0.000 0.433 187 E HN 2.001 nan 8.360 nan 0.000 0.382 188 G N 1.774 110.568 108.800 -0.010 0.000 2.299 188 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.237 188 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.237 188 G C 0.503 175.398 174.900 -0.009 0.000 1.027 188 G CA 0.011 45.105 45.100 -0.010 0.000 0.619 188 G HN 1.315 nan 8.290 nan 0.000 0.513 189 G N -1.445 107.347 108.800 -0.014 0.000 3.058 189 G HA2 0.875 4.835 3.960 -0.000 0.000 0.282 189 G HA3 0.875 4.835 3.960 -0.000 0.000 0.282 189 G C -0.707 174.179 174.900 -0.023 0.000 1.248 189 G CA 0.661 45.752 45.100 -0.014 0.000 0.822 189 G HN 1.610 nan 8.290 nan 0.000 0.579 190 V N -2.690 117.203 119.914 -0.034 0.000 3.007 190 V HA 0.838 4.958 4.120 -0.000 0.000 0.311 190 V C -0.858 175.190 176.094 -0.077 0.000 1.120 190 V CA -1.058 61.212 62.300 -0.051 0.000 0.980 190 V CB 1.568 33.360 31.823 -0.052 0.000 1.033 190 V HN 0.619 nan 8.190 nan 0.000 0.429 191 V N 4.235 124.086 119.914 -0.105 0.000 2.378 191 V HA 0.481 4.601 4.120 -0.000 0.000 0.288 191 V C -0.377 175.565 176.094 -0.252 0.000 1.016 191 V CA -0.368 61.822 62.300 -0.183 0.000 0.840 191 V CB 1.415 33.119 31.823 -0.198 0.000 0.994 191 V HN 0.711 nan 8.190 nan 0.000 0.431 192 I N 5.079 125.497 120.570 -0.253 0.000 2.297 192 I HA 0.382 4.552 4.170 -0.000 0.000 0.291 192 I C 0.073 176.016 176.117 -0.289 0.000 1.033 192 I CA -0.280 60.893 61.300 -0.212 0.000 1.253 192 I CB 0.718 38.644 38.000 -0.123 0.000 1.396 192 I HN 0.544 nan 8.210 nan 0.000 0.476 193 H N 5.745 124.793 119.070 -0.037 0.000 2.489 193 H HA 0.528 5.084 4.556 -0.000 0.000 0.322 193 H C -0.015 175.288 175.328 -0.042 0.000 1.091 193 H CA -0.321 55.706 56.048 -0.035 0.000 1.291 193 H CB 2.032 31.776 29.762 -0.031 0.000 1.436 193 H HN 0.789 nan 8.280 nan 0.000 0.480 194 C N 0.638 119.978 119.300 0.068 0.000 3.311 194 C HA 0.426 4.886 4.460 -0.000 0.000 0.325 194 C C 0.417 175.399 174.990 -0.013 0.000 1.352 194 C CA -1.106 57.914 59.018 0.003 0.000 1.308 194 C CB 1.360 29.083 27.740 -0.028 0.000 1.619 194 C HN 0.702 nan 8.230 nan 0.000 0.469 195 S N 1.696 117.363 115.700 -0.055 0.000 3.489 195 S HA 0.592 5.062 4.470 -0.000 0.000 0.227 195 S C -0.079 174.457 174.600 -0.108 0.000 1.360 195 S CA 0.226 58.378 58.200 -0.080 0.000 0.934 195 S CB -0.800 62.327 63.200 -0.122 0.000 1.410 195 S HN 1.306 nan 8.310 nan 0.000 0.483 196 S N 2.860 118.520 115.700 -0.067 0.000 2.568 196 S HA 0.426 4.896 4.470 -0.000 0.000 0.293 196 S C 0.428 175.007 174.600 -0.035 0.000 1.089 196 S CA -0.619 57.549 58.200 -0.052 0.000 0.945 196 S CB 1.636 64.823 63.200 -0.021 0.000 1.077 196 S HN 0.662 nan 8.310 nan 0.000 0.485 197 Q N 1.251 121.038 119.800 -0.021 0.000 2.360 197 Q HA 0.157 4.497 4.340 -0.000 0.000 0.202 197 Q C -0.284 175.742 176.000 0.043 0.000 0.915 197 Q CA 0.362 56.156 55.803 -0.016 0.000 0.943 197 Q CB 0.146 28.865 28.738 -0.032 0.000 1.064 197 Q HN 0.772 nan 8.270 nan 0.000 0.511 198 H N -0.544 118.504 119.070 -0.036 0.000 2.596 198 H HA 0.140 4.696 4.556 -0.000 0.000 0.240 198 H C -2.261 173.043 175.328 -0.041 0.000 1.406 198 H CA -1.938 54.091 56.048 -0.032 0.000 1.504 198 H CB 1.241 30.989 29.762 -0.023 0.000 1.688 198 H HN -0.027 nan 8.280 nan 0.000 0.546 199 P HA -0.088 nan 4.420 nan 0.000 0.219 199 P C 1.433 178.738 177.300 0.009 0.000 1.150 199 P CA 0.875 63.998 63.100 0.038 0.000 0.814 199 P CB 0.432 32.143 31.700 0.020 0.000 0.787 200 S N -0.453 115.303 115.700 0.093 0.000 2.399 200 S HA -0.186 4.284 4.470 -0.000 0.000 0.231 200 S C 1.940 176.448 174.600 -0.154 0.000 1.022 200 S CA 1.219 59.425 58.200 0.011 0.000 0.983 200 S CB -0.593 62.676 63.200 0.115 0.000 0.803 200 S HN 0.347 nan 8.310 nan 0.000 0.480 201 E N 0.874 120.853 120.200 -0.368 0.000 2.051 201 E HA -0.074 4.276 4.350 -0.000 0.000 0.189 201 E C 1.879 178.343 176.600 -0.227 0.000 0.979 201 E CA 0.749 56.853 56.400 -0.494 0.000 0.803 201 E CB -0.075 29.035 29.700 -0.983 0.000 0.761 201 E HN 0.257 nan 8.360 nan 0.000 0.451 202 I N 1.849 122.316 120.570 -0.172 0.000 2.185 202 I HA -0.351 3.819 4.170 -0.000 0.000 0.246 202 I C 2.614 178.661 176.117 -0.116 0.000 1.088 202 I CA 1.677 62.916 61.300 -0.102 0.000 1.347 202 I CB -1.351 36.608 38.000 -0.068 0.000 1.041 202 I HN 0.426 nan 8.210 nan 0.000 0.415 203 Q N 0.374 120.082 119.800 -0.153 0.000 1.993 203 Q HA -0.295 4.045 4.340 -0.000 0.000 0.202 203 Q C 2.405 178.201 176.000 -0.339 0.000 0.984 203 Q CA 2.242 57.913 55.803 -0.221 0.000 0.837 203 Q CB -0.322 28.273 28.738 -0.238 0.000 0.902 203 Q HN 0.634 nan 8.270 nan 0.000 0.423 204 H N 0.039 118.789 119.070 -0.532 0.000 2.353 204 H HA -0.125 4.431 4.556 -0.000 0.000 0.298 204 H C 1.793 177.038 175.328 -0.139 0.000 1.103 204 H CA 2.087 57.763 56.048 -0.619 0.000 1.293 204 H CB 0.283 29.817 29.762 -0.380 0.000 1.372 204 H HN 0.076 nan 8.280 nan 0.000 0.501 205 K N -0.034 120.380 120.400 0.023 0.000 2.021 205 K HA -0.033 4.287 4.320 -0.000 0.000 0.205 205 K C 2.409 179.004 176.600 -0.007 0.000 1.047 205 K CA 1.062 57.385 56.287 0.060 0.000 0.943 205 K CB -0.570 31.955 32.500 0.042 0.000 0.725 205 K HN 0.224 nan 8.250 nan 0.000 0.439 206 V N 2.111 121.991 119.914 -0.057 0.000 2.332 206 V HA -0.274 3.845 4.120 -0.000 0.000 0.248 206 V C 2.507 178.558 176.094 -0.072 0.000 1.055 206 V CA 1.970 64.235 62.300 -0.059 0.000 1.038 206 V CB -0.828 30.951 31.823 -0.073 0.000 0.651 206 V HN 0.302 nan 8.190 nan 0.000 0.450 207 A N -0.558 122.184 122.820 -0.130 0.000 1.873 207 A HA -0.318 4.002 4.320 -0.000 0.000 0.218 207 A C 1.995 179.482 177.584 -0.162 0.000 1.193 207 A CA 2.494 54.445 52.037 -0.143 0.000 0.629 207 A CB -0.971 17.941 19.000 -0.146 0.000 0.826 207 A HN 0.705 nan 8.150 nan 0.000 0.447 208 H N -0.895 118.126 119.070 -0.083 0.000 2.457 208 H HA 0.145 4.700 4.556 -0.000 0.000 0.294 208 H C 2.303 177.608 175.328 -0.037 0.000 1.064 208 H CA 1.049 57.050 56.048 -0.079 0.000 1.330 208 H CB -0.012 29.689 29.762 -0.102 0.000 1.395 208 H HN 0.549 nan 8.280 nan 0.000 0.541 209 A N 0.293 123.163 122.820 0.083 0.000 2.014 209 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 209 A C 1.788 179.425 177.584 0.089 0.000 1.163 209 A CA 0.970 53.057 52.037 0.083 0.000 0.652 209 A CB -0.102 18.924 19.000 0.043 0.000 0.808 209 A HN 0.363 nan 8.150 nan 0.000 0.449 210 L N -1.595 119.634 121.223 0.010 0.000 2.693 210 L HA 0.285 4.625 4.340 -0.000 0.000 0.235 210 L C 1.357 178.116 176.870 -0.186 0.000 1.127 210 L CA 0.329 55.171 54.840 0.002 0.000 0.914 210 L CB 0.062 42.112 42.059 -0.015 0.000 1.193 210 L HN 0.477 nan 8.230 nan 0.000 0.502 211 G N 1.637 110.173 108.800 -0.440 0.000 2.273 211 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.280 211 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.280 211 G C -0.144 174.542 174.900 -0.357 0.000 1.047 211 G CA 0.220 44.844 45.100 -0.792 0.000 0.869 211 G HN 0.253 nan 8.290 nan 0.000 0.502 212 L N -0.423 120.670 121.223 -0.217 0.000 2.330 212 L HA 0.811 5.151 4.340 -0.000 0.000 0.271 212 L C 0.951 177.754 176.870 -0.111 0.000 1.013 212 L CA -0.829 53.942 54.840 -0.116 0.000 0.816 212 L CB 1.842 43.869 42.059 -0.054 0.000 1.287 212 L HN 0.299 nan 8.230 nan 0.000 0.435 213 A N 0.896 123.668 122.820 -0.081 0.000 2.425 213 A HA 0.236 4.556 4.320 -0.000 0.000 0.242 213 A C 0.776 178.380 177.584 0.034 0.000 1.077 213 A CA -0.123 51.817 52.037 -0.162 0.000 0.781 213 A CB 0.025 18.815 19.000 -0.350 0.000 1.020 213 A HN 0.621 nan 8.150 nan 0.000 0.494 214 F N 1.046 120.838 119.950 -0.263 0.000 2.154 214 F HA -0.228 4.298 4.527 -0.000 0.000 0.301 214 F C 2.363 178.147 175.800 -0.027 0.000 1.087 214 F CA 2.269 60.177 58.000 -0.153 0.000 1.274 214 F CB -1.235 37.686 39.000 -0.132 0.000 1.009 214 F HN 0.902 nan 8.300 nan 0.000 0.485 215 H N -2.397 116.750 119.070 0.128 0.000 2.567 215 H HA -0.009 4.547 4.556 -0.000 0.000 0.276 215 H C 0.516 175.853 175.328 0.015 0.000 1.016 215 H CA 0.741 56.820 56.048 0.051 0.000 1.186 215 H CB -0.249 29.530 29.762 0.028 0.000 1.351 215 H HN 0.137 nan 8.280 nan 0.000 0.605 216 D N 1.262 121.845 120.400 0.305 0.000 2.369 216 D HA 0.138 4.778 4.640 -0.000 0.000 0.211 216 D C -0.272 176.051 176.300 0.039 0.000 1.077 216 D CA 0.113 54.185 54.000 0.121 0.000 0.842 216 D CB 1.138 42.009 40.800 0.118 0.000 0.947 216 D HN 0.168 nan 8.370 nan 0.000 0.509 217 V N 1.313 121.245 119.914 0.031 0.000 2.407 217 V HA 0.333 4.453 4.120 -0.000 0.000 0.291 217 V C -0.075 175.992 176.094 -0.046 0.000 1.018 217 V CA -0.894 61.387 62.300 -0.032 0.000 0.842 217 V CB 2.458 34.238 31.823 -0.070 0.000 0.996 217 V HN -0.124 nan 8.190 nan 0.000 0.426 218 R N 4.085 124.546 120.500 -0.065 0.000 2.387 218 R HA 0.779 5.119 4.340 -0.000 0.000 0.314 218 R C -1.778 174.454 176.300 -0.113 0.000 0.958 218 R CA -0.397 55.659 56.100 -0.074 0.000 0.846 218 R CB 1.912 32.171 30.300 -0.068 0.000 1.147 218 R HN 0.497 nan 8.270 nan 0.000 0.447 219 V N 4.328 124.186 119.914 -0.095 0.000 2.378 219 V HA 0.335 4.455 4.120 -0.000 0.000 0.288 219 V C -0.556 175.496 176.094 -0.071 0.000 1.016 219 V CA -0.695 61.545 62.300 -0.100 0.000 0.840 219 V CB 1.550 33.329 31.823 -0.074 0.000 0.994 219 V HN 0.826 nan 8.190 nan 0.000 0.431 220 E N 4.794 124.945 120.200 -0.080 0.000 2.155 220 E HA 0.583 4.933 4.350 -0.000 0.000 0.264 220 E C -0.848 175.807 176.600 0.091 0.000 0.886 220 E CA -0.757 55.654 56.400 0.019 0.000 0.752 220 E CB 2.210 31.956 29.700 0.076 0.000 1.133 220 E HN 0.593 nan 8.360 nan 0.000 0.414 221 M N 3.578 123.209 119.600 0.052 0.000 2.093 221 M HA 0.327 4.807 4.480 -0.000 0.000 0.297 221 M C -0.164 176.159 176.300 0.039 0.000 0.938 221 M CA -0.423 54.903 55.300 0.045 0.000 0.920 221 M CB 1.342 33.951 32.600 0.016 0.000 1.517 221 M HN 0.303 nan 8.290 nan 0.000 0.427 222 R N 3.880 124.402 120.500 0.038 0.000 2.055 222 R HA 0.407 4.747 4.340 -0.000 0.000 0.221 222 R C -0.133 176.206 176.300 0.065 0.000 1.154 222 R CA 1.756 57.879 56.100 0.038 0.000 0.975 222 R CB 0.405 30.700 30.300 -0.008 0.000 0.869 222 R HN 0.783 nan 8.270 nan 0.000 0.437 223 R N -1.403 119.113 120.500 0.028 0.000 2.781 223 R HA 0.506 4.846 4.340 -0.000 0.000 0.269 223 R C -1.263 175.083 176.300 0.075 0.000 1.025 223 R CA -0.845 55.283 56.100 0.047 0.000 0.914 223 R CB 1.210 31.527 30.300 0.030 0.000 1.236 223 R HN 0.033 nan 8.270 nan 0.000 0.465 224 M N 0.608 120.264 119.600 0.092 0.000 2.395 224 M HA 0.359 4.839 4.480 -0.000 0.000 0.307 224 M C 0.454 176.820 176.300 0.109 0.000 1.091 224 M CA -0.710 54.633 55.300 0.072 0.000 0.919 224 M CB 2.546 35.110 32.600 -0.060 0.000 1.662 224 M HN 1.020 nan 8.290 nan 0.000 0.440 225 G N 1.644 110.454 108.800 0.017 0.000 3.375 225 G HA2 0.460 4.420 3.960 -0.000 0.000 0.247 225 G HA3 0.460 4.420 3.960 -0.000 0.000 0.247 225 G C 0.358 175.218 174.900 -0.067 0.000 1.343 225 G CA 0.390 45.388 45.100 -0.170 0.000 1.368 225 G HN 1.050 nan 8.290 nan 0.000 0.549 226 G N -2.248 106.512 108.800 -0.066 0.000 2.841 226 G HA2 0.402 4.362 3.960 -0.000 0.000 0.684 226 G HA3 0.402 4.362 3.960 -0.000 0.000 0.684 226 G C 0.379 175.209 174.900 -0.117 0.000 1.273 226 G CA -0.325 44.736 45.100 -0.064 0.000 0.811 226 G HN 0.888 nan 8.290 nan 0.000 0.631 227 G N -0.188 108.400 108.800 -0.352 0.000 2.766 227 G HA2 0.542 4.502 3.960 -0.000 0.000 0.201 227 G HA3 0.542 4.502 3.960 -0.000 0.000 0.201 227 G C 0.961 175.856 174.900 -0.007 0.000 1.177 227 G CA 0.854 45.843 45.100 -0.185 0.000 0.773 227 G HN 1.610 nan 8.290 nan 0.000 0.648 228 F N 0.595 120.542 119.950 -0.006 0.000 2.973 228 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 228 F C 1.964 177.738 175.800 -0.043 0.000 0.737 228 F CA 1.086 59.091 58.000 0.008 0.000 1.151 228 F CB -1.404 37.612 39.000 0.027 0.000 1.440 228 F HN 1.085 nan 8.300 nan 0.000 0.367 229 G N -1.061 107.747 108.800 0.013 0.000 2.254 229 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.225 229 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.225 229 G C 1.124 175.903 174.900 -0.202 0.000 1.003 229 G CA 0.117 45.231 45.100 0.023 0.000 0.622 229 G HN 1.235 nan 8.290 nan 0.000 0.507 230 G N -0.007 108.400 108.800 -0.655 0.000 2.625 230 G HA2 0.229 4.189 3.960 -0.000 0.000 0.214 230 G HA3 0.229 4.189 3.960 -0.000 0.000 0.214 230 G C 1.099 175.872 174.900 -0.210 0.000 1.132 230 G CA 1.411 45.980 45.100 -0.884 0.000 0.782 230 G HN 0.528 nan 8.290 nan 0.000 0.538 231 K N -0.573 119.732 120.400 -0.159 0.000 2.536 231 K HA 0.182 4.502 4.320 -0.000 0.000 0.203 231 K C 1.311 177.894 176.600 -0.028 0.000 1.063 231 K CA -0.130 56.087 56.287 -0.115 0.000 1.063 231 K CB 0.757 33.141 32.500 -0.193 0.000 0.843 231 K HN 0.267 nan 8.250 nan 0.000 0.521 232 E N 0.690 120.898 120.200 0.014 0.000 2.208 232 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 232 E C 1.173 177.849 176.600 0.127 0.000 0.988 232 E CA 1.600 58.056 56.400 0.093 0.000 0.828 232 E CB 0.379 30.156 29.700 0.128 0.000 0.763 232 E HN 0.245 nan 8.360 nan 0.000 0.478 233 S N -1.862 113.896 115.700 0.096 0.000 2.612 233 S HA 0.072 4.542 4.470 -0.000 0.000 0.278 233 S C 1.489 176.165 174.600 0.127 0.000 1.082 233 S CA -0.597 57.662 58.200 0.098 0.000 1.185 233 S CB 0.054 63.316 63.200 0.103 0.000 1.077 233 S HN 0.030 nan 8.310 nan 0.000 0.585 234 Q N 1.869 121.739 119.800 0.116 0.000 2.291 234 Q HA 0.107 4.447 4.340 -0.000 0.000 0.205 234 Q C 2.010 178.110 176.000 0.167 0.000 0.970 234 Q CA 1.555 57.452 55.803 0.158 0.000 0.876 234 Q CB -0.927 27.889 28.738 0.130 0.000 0.935 234 Q HN 0.713 nan 8.270 nan 0.000 0.455 235 G N 1.037 109.882 108.800 0.075 0.000 2.471 235 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.219 235 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.219 235 G C 1.253 176.199 174.900 0.076 0.000 1.125 235 G CA 0.453 45.569 45.100 0.026 0.000 0.775 235 G HN 0.429 nan 8.290 nan 0.000 0.548 236 N N -0.221 118.552 118.700 0.122 0.000 2.137 236 N HA -0.164 4.576 4.740 -0.000 0.000 0.190 236 N C 1.854 177.414 175.510 0.084 0.000 1.017 236 N CA 1.022 54.115 53.050 0.071 0.000 0.859 236 N CB -0.137 38.365 38.487 0.025 0.000 1.002 236 N HN 0.424 nan 8.380 nan 0.000 0.428 237 H N -0.125 119.033 119.070 0.147 0.000 2.395 237 H HA 0.034 4.590 4.556 -0.000 0.000 0.299 237 H C 1.776 177.276 175.328 0.287 0.000 1.070 237 H CA 0.785 56.992 56.048 0.265 0.000 1.356 237 H CB -0.008 29.977 29.762 0.372 0.000 1.401 237 H HN 0.105 nan 8.280 nan 0.000 0.524 238 L N -0.209 121.164 121.223 0.250 0.000 2.131 238 L HA 0.020 4.360 4.340 -0.000 0.000 0.206 238 L C 2.563 179.436 176.870 0.006 0.000 1.087 238 L CA 1.150 56.020 54.840 0.050 0.000 0.767 238 L CB -0.489 41.478 42.059 -0.153 0.000 0.917 238 L HN 0.273 nan 8.230 nan 0.000 0.441 239 A N -0.052 122.775 122.820 0.012 0.000 1.898 239 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 239 A C 2.285 179.860 177.584 -0.016 0.000 1.181 239 A CA 1.594 53.620 52.037 -0.018 0.000 0.620 239 A CB -0.662 18.322 19.000 -0.026 0.000 0.819 239 A HN 0.350 nan 8.150 nan 0.000 0.442 240 I N -0.391 120.187 120.570 0.014 0.000 2.286 240 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 240 I C 2.963 179.079 176.117 -0.002 0.000 1.104 240 I CA 0.892 62.198 61.300 0.009 0.000 1.397 240 I CB -0.335 37.677 38.000 0.020 0.000 1.072 240 I HN 0.326 nan 8.210 nan 0.000 0.417 241 A N 0.032 122.878 122.820 0.043 0.000 1.883 241 A HA -0.266 4.053 4.320 -0.000 0.000 0.217 241 A C 2.446 179.953 177.584 -0.129 0.000 1.186 241 A CA 2.107 54.126 52.037 -0.030 0.000 0.624 241 A CB -1.343 17.625 19.000 -0.052 0.000 0.822 241 A HN 0.547 nan 8.150 nan 0.000 0.444 242 C N -1.302 117.941 119.300 -0.095 0.000 2.446 242 C HA 0.114 4.574 4.460 -0.000 0.000 0.277 242 C C 3.338 178.270 174.990 -0.095 0.000 1.275 242 C CA 0.676 59.635 59.018 -0.097 0.000 1.727 242 C CB -1.331 26.364 27.740 -0.074 0.000 2.010 242 C HN 0.707 nan 8.230 nan 0.000 0.486 243 A N 0.150 122.922 122.820 -0.080 0.000 1.858 243 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 243 A C 2.307 179.843 177.584 -0.081 0.000 1.190 243 A CA 2.174 54.171 52.037 -0.068 0.000 0.617 243 A CB -0.905 18.064 19.000 -0.052 0.000 0.827 243 A HN 0.331 nan 8.150 nan 0.000 0.443 244 V N -0.117 119.727 119.914 -0.117 0.000 2.343 244 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 244 V C 3.066 178.998 176.094 -0.269 0.000 1.051 244 V CA 1.952 64.159 62.300 -0.155 0.000 1.036 244 V CB -1.162 30.558 31.823 -0.171 0.000 0.654 244 V HN 0.633 nan 8.190 nan 0.000 0.451 245 A N -0.075 122.496 122.820 -0.415 0.000 1.877 245 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 245 A C 2.436 179.993 177.584 -0.044 0.000 1.186 245 A CA 2.219 54.034 52.037 -0.369 0.000 0.620 245 A CB -0.845 17.983 19.000 -0.287 0.000 0.822 245 A HN 0.574 nan 8.150 nan 0.000 0.443 246 A N -0.247 122.540 122.820 -0.054 0.000 1.877 246 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 246 A C 2.260 179.854 177.584 0.018 0.000 1.186 246 A CA 1.908 53.940 52.037 -0.009 0.000 0.620 246 A CB -0.589 18.394 19.000 -0.028 0.000 0.822 246 A HN 0.579 nan 8.150 nan 0.000 0.443 247 R N -0.364 120.142 120.500 0.009 0.000 2.096 247 R HA -0.175 4.165 4.340 -0.000 0.000 0.240 247 R C 2.232 178.577 176.300 0.075 0.000 1.139 247 R CA 1.799 57.921 56.100 0.036 0.000 0.952 247 R CB -0.423 29.898 30.300 0.035 0.000 0.854 247 R HN 0.453 nan 8.270 nan 0.000 0.436 248 A N -0.097 122.796 122.820 0.122 0.000 1.872 248 A HA -0.119 4.201 4.320 -0.000 0.000 0.214 248 A C 2.239 179.919 177.584 0.161 0.000 1.187 248 A CA 1.837 53.993 52.037 0.199 0.000 0.614 248 A CB -0.873 18.385 19.000 0.429 0.000 0.826 248 A HN 0.641 nan 8.150 nan 0.000 0.442 249 T N -4.306 110.347 114.554 0.166 0.000 2.985 249 T HA 0.340 4.690 4.350 -0.000 0.000 0.266 249 T C 1.657 176.399 174.700 0.070 0.000 1.076 249 T CA 1.337 63.506 62.100 0.116 0.000 1.135 249 T CB -0.151 68.790 68.868 0.123 0.000 0.890 249 T HN 1.721 nan 8.240 nan 0.000 0.480 250 G N 1.696 110.531 108.800 0.058 0.000 2.225 250 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.254 250 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.254 250 G C 0.324 175.240 174.900 0.026 0.000 0.988 250 G CA 0.044 45.167 45.100 0.037 0.000 0.625 250 G HN 0.687 nan 8.290 nan 0.000 0.527 251 R N 0.826 121.343 120.500 0.029 0.000 2.528 251 R HA 0.448 4.788 4.340 -0.000 0.000 0.271 251 R C -2.615 173.685 176.300 0.001 0.000 1.056 251 R CA -1.822 54.287 56.100 0.016 0.000 1.117 251 R CB 0.467 30.779 30.300 0.020 0.000 1.085 251 R HN 0.063 nan 8.270 nan 0.000 0.530 252 P HA 0.014 nan 4.420 nan 0.000 0.268 252 P C -0.765 176.503 177.300 -0.053 0.000 1.204 252 P CA 0.071 63.156 63.100 -0.026 0.000 0.768 252 P CB 0.486 32.172 31.700 -0.024 0.000 0.842 253 C N 4.608 123.873 119.300 -0.059 0.000 2.396 253 C HA 0.466 4.926 4.460 -0.000 0.000 0.321 253 C C 0.162 175.096 174.990 -0.093 0.000 1.233 253 C CA -0.402 58.567 59.018 -0.082 0.000 1.440 253 C CB 0.805 28.507 27.740 -0.063 0.000 2.110 253 C HN 0.503 nan 8.230 nan 0.000 0.473 254 K N 3.514 123.831 120.400 -0.138 0.000 2.259 254 K HA 0.763 5.083 4.320 -0.000 0.000 0.252 254 K C -1.296 175.286 176.600 -0.031 0.000 0.936 254 K CA -0.431 55.799 56.287 -0.094 0.000 0.810 254 K CB 1.627 34.049 32.500 -0.130 0.000 1.143 254 K HN 0.821 nan 8.250 nan 0.000 0.427 255 M N 4.464 124.054 119.600 -0.017 0.000 2.224 255 M HA 0.362 4.842 4.480 -0.000 0.000 0.281 255 M C -1.802 174.489 176.300 -0.015 0.000 1.025 255 M CA -0.654 54.648 55.300 0.004 0.000 0.954 255 M CB 1.666 34.216 32.600 -0.084 0.000 1.639 255 M HN 0.641 nan 8.290 nan 0.000 0.461 256 R N 3.596 124.140 120.500 0.075 0.000 2.574 256 R HA 0.479 4.819 4.340 -0.000 0.000 0.288 256 R C -1.846 174.598 176.300 0.239 0.000 1.004 256 R CA -0.763 55.356 56.100 0.031 0.000 0.895 256 R CB 1.100 31.381 30.300 -0.031 0.000 1.191 256 R HN 0.589 nan 8.270 nan 0.000 0.444 257 Y N 1.401 121.769 120.300 0.113 0.000 2.511 257 Y HA -0.026 4.524 4.550 -0.000 0.000 0.332 257 Y C 0.779 176.775 175.900 0.160 0.000 1.177 257 Y CA -0.448 57.740 58.100 0.147 0.000 1.422 257 Y CB 0.854 39.401 38.460 0.145 0.000 1.271 257 Y HN 0.676 nan 8.280 nan 0.000 0.550 258 D N 1.576 122.185 120.400 0.348 0.000 2.368 258 D HA -0.009 4.631 4.640 -0.000 0.000 0.240 258 D C 1.254 177.683 176.300 0.216 0.000 1.169 258 D CA -0.078 54.074 54.000 0.253 0.000 0.906 258 D CB 0.927 41.846 40.800 0.198 0.000 1.187 258 D HN 0.430 nan 8.370 nan 0.000 0.435 259 R N 0.956 121.566 120.500 0.184 0.000 2.091 259 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 259 R C 1.118 177.530 176.300 0.186 0.000 1.136 259 R CA 1.878 58.094 56.100 0.193 0.000 0.959 259 R CB -0.306 30.110 30.300 0.193 0.000 0.856 259 R HN 0.528 nan 8.270 nan 0.000 0.437 260 D N 0.117 120.618 120.400 0.169 0.000 2.078 260 D HA -0.145 4.495 4.640 -0.000 0.000 0.193 260 D C 1.466 177.806 176.300 0.066 0.000 0.990 260 D CA 1.585 55.687 54.000 0.170 0.000 0.827 260 D CB -0.525 40.367 40.800 0.152 0.000 0.975 260 D HN 0.214 nan 8.370 nan 0.000 0.451 261 D N 0.527 120.936 120.400 0.016 0.000 2.104 261 D HA -0.154 4.486 4.640 -0.000 0.000 0.194 261 D C 1.673 177.882 176.300 -0.151 0.000 0.994 261 D CA 0.856 54.788 54.000 -0.113 0.000 0.830 261 D CB -0.376 40.324 40.800 -0.166 0.000 0.959 261 D HN 0.177 nan 8.370 nan 0.000 0.452 262 D N -0.110 120.303 120.400 0.022 0.000 2.106 262 D HA -0.157 4.482 4.640 -0.000 0.000 0.191 262 D C 2.065 178.454 176.300 0.148 0.000 0.997 262 D CA 0.984 55.109 54.000 0.209 0.000 0.834 262 D CB -0.057 40.962 40.800 0.366 0.000 0.956 262 D HN 0.201 nan 8.370 nan 0.000 0.448 263 M N -0.065 119.603 119.600 0.115 0.000 2.296 263 M HA -0.113 4.366 4.480 -0.000 0.000 0.265 263 M C 2.205 178.540 176.300 0.058 0.000 1.064 263 M CA 0.589 55.928 55.300 0.066 0.000 1.109 263 M CB 0.198 32.831 32.600 0.055 0.000 1.396 263 M HN -0.032 nan 8.290 nan 0.000 0.430 264 V N -0.055 119.888 119.914 0.048 0.000 2.500 264 V HA -0.121 3.999 4.120 -0.000 0.000 0.243 264 V C 2.080 178.272 176.094 0.164 0.000 1.039 264 V CA 1.084 63.425 62.300 0.069 0.000 1.053 264 V CB -0.235 31.567 31.823 -0.036 0.000 0.695 264 V HN 0.344 nan 8.190 nan 0.000 0.463 265 I N 0.717 121.325 120.570 0.063 0.000 2.233 265 I HA -0.093 4.077 4.170 -0.000 0.000 0.243 265 I C 1.643 177.868 176.117 0.180 0.000 1.093 265 I CA 1.302 62.671 61.300 0.115 0.000 1.380 265 I CB -0.517 37.394 38.000 -0.149 0.000 1.067 265 I HN 0.450 nan 8.210 nan 0.000 0.413 266 T N -0.513 114.134 114.554 0.155 0.000 2.788 266 T HA 0.467 4.817 4.350 -0.000 0.000 0.287 266 T C 0.468 175.246 174.700 0.130 0.000 1.007 266 T CA -0.417 61.788 62.100 0.175 0.000 1.005 266 T CB 1.217 70.247 68.868 0.269 0.000 1.012 266 T HN 0.236 nan 8.240 nan 0.000 0.530 267 G N 0.240 109.112 108.800 0.121 0.000 2.563 267 G HA2 0.588 4.548 3.960 -0.000 0.000 0.283 267 G HA3 0.588 4.548 3.960 -0.000 0.000 0.283 267 G C -0.703 174.272 174.900 0.125 0.000 1.309 267 G CA -0.861 44.287 45.100 0.080 0.000 1.022 267 G HN 0.825 nan 8.290 nan 0.000 0.501 268 K N -1.596 118.839 120.400 0.058 0.000 2.318 268 K HA 0.425 4.745 4.320 -0.000 0.000 0.265 268 K C -0.251 176.370 176.600 0.034 0.000 1.055 268 K CA -0.901 55.401 56.287 0.024 0.000 0.896 268 K CB 1.745 34.281 32.500 0.060 0.000 1.479 268 K HN 0.442 nan 8.250 nan 0.000 0.449 269 R N 1.276 121.840 120.500 0.105 0.000 2.442 269 R HA 0.082 4.422 4.340 -0.000 0.000 0.291 269 R C -0.791 175.570 176.300 0.102 0.000 1.069 269 R CA -0.155 56.007 56.100 0.104 0.000 1.022 269 R CB 0.115 30.334 30.300 -0.135 0.000 0.976 269 R HN 0.534 nan 8.270 nan 0.000 0.443 270 H N 2.815 121.931 119.070 0.077 0.000 3.107 270 H HA -0.059 4.497 4.556 -0.000 0.000 0.301 270 H C -0.161 175.310 175.328 0.238 0.000 0.981 270 H CA 0.834 56.945 56.048 0.104 0.000 1.443 270 H CB 0.207 30.025 29.762 0.093 0.000 1.479 270 H HN 0.543 nan 8.280 nan 0.000 0.564 271 D N 2.967 123.513 120.400 0.242 0.000 2.313 271 D HA 0.173 4.813 4.640 -0.000 0.000 0.247 271 D C -0.310 176.097 176.300 0.179 0.000 1.094 271 D CA -0.193 53.969 54.000 0.270 0.000 0.925 271 D CB 1.111 42.023 40.800 0.187 0.000 1.188 271 D HN 0.279 nan 8.370 nan 0.000 0.430 272 F N -0.537 119.422 119.950 0.016 0.000 2.576 272 F HA 0.369 4.896 4.527 -0.000 0.000 0.313 272 F C 0.467 176.209 175.800 -0.097 0.000 1.078 272 F CA -1.158 56.819 58.000 -0.039 0.000 0.921 272 F CB 2.587 41.536 39.000 -0.085 0.000 1.232 272 F HN 0.138 nan 8.300 nan 0.000 0.459 273 R N 4.119 124.666 120.500 0.078 0.000 2.393 273 R HA 0.661 5.001 4.340 -0.000 0.000 0.315 273 R C -1.709 174.677 176.300 0.142 0.000 0.952 273 R CA -0.397 55.723 56.100 0.033 0.000 0.842 273 R CB 0.967 31.279 30.300 0.020 0.000 1.163 273 R HN 0.713 nan 8.270 nan 0.000 0.450 274 I N 4.609 125.241 120.570 0.104 0.000 2.382 274 I HA 0.369 4.539 4.170 -0.000 0.000 0.286 274 I C -0.051 176.326 176.117 0.433 0.000 1.002 274 I CA -0.769 60.738 61.300 0.346 0.000 1.135 274 I CB 1.821 40.064 38.000 0.405 0.000 1.288 274 I HN 0.453 nan 8.210 nan 0.000 0.448 275 R N 6.732 127.448 120.500 0.360 0.000 2.407 275 R HA 0.543 4.882 4.340 -0.000 0.000 0.303 275 R C -1.681 174.793 176.300 0.290 0.000 0.981 275 R CA -0.404 55.831 56.100 0.225 0.000 0.905 275 R CB 1.190 31.553 30.300 0.106 0.000 1.099 275 R HN 0.583 nan 8.270 nan 0.000 0.459 276 Y N 0.070 120.436 120.300 0.109 0.000 2.534 276 Y HA 0.587 5.137 4.550 -0.000 0.000 0.345 276 Y C -1.370 174.420 175.900 -0.184 0.000 1.031 276 Y CA -1.359 56.688 58.100 -0.088 0.000 1.022 276 Y CB 1.518 39.971 38.460 -0.011 0.000 1.292 276 Y HN 0.434 nan 8.280 nan 0.000 0.459 277 R N 3.630 124.044 120.500 -0.143 0.000 2.483 277 R HA 0.632 4.972 4.340 -0.000 0.000 0.303 277 R C -1.809 174.380 176.300 -0.185 0.000 0.987 277 R CA -0.651 55.360 56.100 -0.148 0.000 0.881 277 R CB 2.395 32.604 30.300 -0.151 0.000 1.177 277 R HN 0.927 nan 8.270 nan 0.000 0.451 278 I N 1.658 122.156 120.570 -0.120 0.000 2.436 278 I HA 0.627 4.796 4.170 -0.000 0.000 0.289 278 I C -0.457 175.596 176.117 -0.106 0.000 1.010 278 I CA -0.406 60.809 61.300 -0.141 0.000 1.098 278 I CB 1.709 39.628 38.000 -0.134 0.000 1.266 278 I HN 0.716 nan 8.210 nan 0.000 0.434 279 G N 5.156 113.900 108.800 -0.093 0.000 2.453 279 G HA2 0.834 4.794 3.960 -0.000 0.000 0.323 279 G HA3 0.834 4.794 3.960 -0.000 0.000 0.323 279 G C -1.501 173.375 174.900 -0.040 0.000 1.198 279 G CA -0.496 44.569 45.100 -0.059 0.000 0.959 279 G HN 0.856 nan 8.290 nan 0.000 0.482 280 A N 0.713 123.533 122.820 0.001 0.000 2.527 280 A HA 0.735 5.055 4.320 -0.000 0.000 0.293 280 A C -0.681 176.936 177.584 0.056 0.000 1.117 280 A CA -0.659 51.388 52.037 0.017 0.000 0.723 280 A CB 1.672 20.676 19.000 0.006 0.000 1.313 280 A HN 0.601 nan 8.150 nan 0.000 0.411 281 D N 0.086 120.515 120.400 0.048 0.000 2.371 281 D HA 0.411 5.051 4.640 -0.000 0.000 0.242 281 D C 1.425 177.800 176.300 0.125 0.000 1.218 281 D CA 0.684 54.719 54.000 0.060 0.000 0.945 281 D CB 1.581 42.404 40.800 0.039 0.000 1.137 281 D HN 0.515 nan 8.370 nan 0.000 0.464 282 A N 0.728 123.607 122.820 0.100 0.000 2.067 282 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 282 A C 1.966 179.605 177.584 0.093 0.000 1.158 282 A CA 1.767 53.883 52.037 0.131 0.000 0.661 282 A CB -0.343 18.694 19.000 0.062 0.000 0.801 282 A HN 0.515 nan 8.150 nan 0.000 0.452 283 S N -2.562 113.169 115.700 0.052 0.000 2.501 283 S HA 0.381 4.851 4.470 -0.000 0.000 0.220 283 S C 1.468 176.068 174.600 0.000 0.000 0.997 283 S CA 1.091 59.305 58.200 0.023 0.000 0.919 283 S CB 0.062 63.274 63.200 0.020 0.000 0.778 283 S HN 1.736 nan 8.310 nan 0.000 0.523 284 G N 0.770 109.570 108.800 -0.000 0.000 2.231 284 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.206 284 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.206 284 G C -0.014 174.867 174.900 -0.032 0.000 0.996 284 G CA -0.336 44.740 45.100 -0.041 0.000 0.645 284 G HN 0.372 nan 8.290 nan 0.000 0.498 285 K N 0.851 121.249 120.400 -0.004 0.000 2.436 285 K HA 0.346 4.666 4.320 -0.000 0.000 0.275 285 K C 0.980 177.581 176.600 0.002 0.000 0.999 285 K CA -0.166 56.127 56.287 0.010 0.000 0.980 285 K CB 0.748 33.270 32.500 0.037 0.000 0.919 285 K HN 0.364 nan 8.250 nan 0.000 0.484 286 L N 3.778 124.997 121.223 -0.006 0.000 2.416 286 L HA 0.042 4.382 4.340 -0.000 0.000 0.272 286 L C 1.646 178.501 176.870 -0.026 0.000 1.161 286 L CA -0.029 54.790 54.840 -0.035 0.000 0.845 286 L CB 0.295 42.315 42.059 -0.065 0.000 1.119 286 L HN 0.517 nan 8.230 nan 0.000 0.464 287 L N 1.924 123.126 121.223 -0.036 0.000 2.445 287 L HA 0.400 4.740 4.340 -0.000 0.000 0.207 287 L C 0.739 177.577 176.870 -0.053 0.000 1.053 287 L CA 0.248 55.070 54.840 -0.031 0.000 0.841 287 L CB 0.513 42.560 42.059 -0.019 0.000 1.074 287 L HN 0.747 nan 8.230 nan 0.000 0.479 288 G N -0.627 108.133 108.800 -0.066 0.000 2.655 288 G HA2 0.611 4.571 3.960 -0.000 0.000 0.296 288 G HA3 0.611 4.571 3.960 -0.000 0.000 0.296 288 G C -2.029 172.813 174.900 -0.097 0.000 1.485 288 G CA 0.105 45.161 45.100 -0.072 0.000 0.869 288 G HN 0.044 nan 8.290 nan 0.000 0.540 289 A N 1.038 123.796 122.820 -0.104 0.000 2.353 289 A HA 0.734 5.053 4.320 -0.000 0.000 0.299 289 A C -1.451 175.976 177.584 -0.262 0.000 1.089 289 A CA -0.548 51.358 52.037 -0.218 0.000 0.736 289 A CB 2.019 20.926 19.000 -0.155 0.000 1.195 289 A HN 0.642 nan 8.150 nan 0.000 0.447 290 D N 1.651 121.826 120.400 -0.373 0.000 2.256 290 D HA 0.664 5.303 4.640 -0.000 0.000 0.240 290 D C -1.251 174.807 176.300 -0.403 0.000 1.062 290 D CA 0.097 53.947 54.000 -0.251 0.000 0.832 290 D CB 0.470 41.190 40.800 -0.132 0.000 1.135 290 D HN 0.250 nan 8.370 nan 0.000 0.484 291 F N 2.153 122.098 119.950 -0.008 0.000 2.532 291 F HA 0.535 5.062 4.527 -0.000 0.000 0.321 291 F C -0.172 175.575 175.800 -0.087 0.000 1.089 291 F CA -1.033 56.947 58.000 -0.033 0.000 0.926 291 F CB 2.164 41.077 39.000 -0.146 0.000 1.168 291 F HN -0.004 nan 8.300 nan 0.000 0.459 292 V N 2.393 122.421 119.914 0.191 0.000 2.409 292 V HA 0.291 4.411 4.120 -0.000 0.000 0.290 292 V C -0.827 175.423 176.094 0.259 0.000 1.017 292 V CA -0.752 61.642 62.300 0.157 0.000 0.841 292 V CB 1.248 33.167 31.823 0.160 0.000 1.003 292 V HN 0.721 nan 8.190 nan 0.000 0.426 293 H N 5.519 124.751 119.070 0.271 0.000 2.519 293 H HA 0.587 5.143 4.556 -0.000 0.000 0.316 293 H C -0.670 174.770 175.328 0.186 0.000 1.065 293 H CA -0.695 55.530 56.048 0.295 0.000 1.264 293 H CB 1.274 31.257 29.762 0.368 0.000 1.413 293 H HN 0.463 nan 8.280 nan 0.000 0.465 294 L N 3.310 124.650 121.223 0.195 0.000 2.295 294 L HA 0.558 4.898 4.340 -0.000 0.000 0.281 294 L C -0.082 176.599 176.870 -0.314 0.000 1.018 294 L CA -0.764 54.072 54.840 -0.008 0.000 0.841 294 L CB 1.250 43.293 42.059 -0.028 0.000 1.218 294 L HN 0.573 nan 8.230 nan 0.000 0.424 295 A N 3.722 126.259 122.820 -0.471 0.000 2.317 295 A HA 0.566 4.886 4.320 -0.000 0.000 0.327 295 A C -0.295 177.113 177.584 -0.292 0.000 1.178 295 A CA -0.671 50.897 52.037 -0.782 0.000 0.817 295 A CB 1.106 19.484 19.000 -1.035 0.000 1.189 295 A HN 0.753 nan 8.150 nan 0.000 0.489 296 R N 2.590 122.962 120.500 -0.214 0.000 2.248 296 R HA 0.260 4.600 4.340 -0.000 0.000 0.337 296 R C -0.245 176.038 176.300 -0.028 0.000 1.085 296 R CA -0.207 55.832 56.100 -0.102 0.000 0.934 296 R CB 0.179 30.405 30.300 -0.123 0.000 1.034 296 R HN 0.835 nan 8.270 nan 0.000 0.465 297 C N 3.003 122.337 119.300 0.055 0.000 2.611 297 C HA 0.342 4.802 4.460 -0.000 0.000 0.282 297 C C 1.211 176.197 174.990 -0.008 0.000 1.321 297 C CA 0.566 59.647 59.018 0.106 0.000 1.747 297 C CB -0.756 27.135 27.740 0.251 0.000 2.124 297 C HN 1.091 nan 8.230 nan 0.000 0.531 298 G N 0.607 109.434 108.800 0.045 0.000 2.582 298 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.222 298 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.222 298 G C 0.307 175.328 174.900 0.202 0.000 1.311 298 G CA 0.054 45.176 45.100 0.037 0.000 0.915 298 G HN 0.542 nan 8.290 nan 0.000 0.528 299 W N 0.076 121.378 121.300 0.004 0.000 2.584 299 W HA 0.424 5.084 4.660 -0.000 0.000 0.264 299 W C 0.700 177.343 176.519 0.207 0.000 1.264 299 W CA 1.179 58.578 57.345 0.088 0.000 1.306 299 W CB -0.831 28.680 29.460 0.086 0.000 1.110 299 W HN 1.269 nan 8.180 nan 0.000 0.606 300 S N -0.158 115.165 115.700 -0.628 0.000 2.542 300 S HA 0.614 5.083 4.470 -0.000 0.000 0.293 300 S C 0.934 175.113 174.600 -0.703 0.000 1.089 300 S CA 0.041 57.781 58.200 -0.767 0.000 0.961 300 S CB 1.898 64.193 63.200 -1.508 0.000 1.062 300 S HN 0.172 nan 8.310 nan 0.000 0.483 301 A N 3.369 125.702 122.820 -0.811 0.000 1.859 301 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 301 A C 1.279 178.541 177.584 -0.537 0.000 1.198 301 A CA 2.503 53.951 52.037 -0.982 0.000 0.629 301 A CB -1.897 16.746 19.000 -0.595 0.000 0.830 301 A HN 1.312 nan 8.150 nan 0.000 0.446 302 D N -2.322 117.869 120.400 -0.348 0.000 4.072 302 D HA -0.245 4.395 4.640 -0.000 0.000 0.146 302 D C 0.349 176.594 176.300 -0.092 0.000 0.777 302 D CA 2.401 56.295 54.000 -0.177 0.000 1.099 302 D CB -1.179 39.534 40.800 -0.146 0.000 0.497 302 D HN 0.264 nan 8.370 nan 0.000 0.483 303 L N 0.263 121.471 121.223 -0.025 0.000 3.066 303 L HA 0.358 4.697 4.340 -0.000 0.000 0.265 303 L C 1.586 178.411 176.870 -0.076 0.000 1.232 303 L CA -0.081 54.784 54.840 0.043 0.000 1.031 303 L CB 0.581 42.763 42.059 0.205 0.000 1.379 303 L HN 0.114 nan 8.230 nan 0.000 0.563 304 S N 0.602 116.229 115.700 -0.123 0.000 2.382 304 S HA -0.174 4.296 4.470 -0.000 0.000 0.228 304 S C 1.847 176.308 174.600 -0.232 0.000 1.027 304 S CA 1.332 59.404 58.200 -0.213 0.000 0.991 304 S CB -0.040 63.089 63.200 -0.119 0.000 0.823 304 S HN 0.459 nan 8.310 nan 0.000 0.469 305 L N 2.524 123.667 121.223 -0.134 0.000 1.955 305 L HA -0.066 4.274 4.340 -0.000 0.000 0.213 305 L C -0.874 176.007 176.870 0.018 0.000 1.072 305 L CA 1.585 56.397 54.840 -0.048 0.000 0.755 305 L CB -1.149 40.904 42.059 -0.011 0.000 0.888 305 L HN 0.195 nan 8.230 nan 0.000 0.432 306 P HA -0.127 nan 4.420 nan 0.000 0.218 306 P C 1.959 179.343 177.300 0.140 0.000 1.149 306 P CA 1.269 64.530 63.100 0.267 0.000 0.817 306 P CB -0.039 31.951 31.700 0.482 0.000 0.785 307 V N 0.386 120.089 119.914 -0.352 0.000 2.255 307 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 307 V C 2.793 178.693 176.094 -0.323 0.000 1.051 307 V CA 2.236 64.070 62.300 -0.778 0.000 1.018 307 V CB -1.396 29.820 31.823 -1.012 0.000 0.641 307 V HN 0.178 nan 8.190 nan 0.000 0.445 308 C N -0.360 118.808 119.300 -0.220 0.000 2.446 308 C HA -0.078 4.382 4.460 -0.000 0.000 0.279 308 C C 2.421 177.409 174.990 -0.004 0.000 1.366 308 C CA 0.297 59.278 59.018 -0.062 0.000 1.763 308 C CB -1.075 26.624 27.740 -0.070 0.000 1.929 308 C HN 0.600 nan 8.230 nan 0.000 0.509 309 D N 0.733 121.164 120.400 0.051 0.000 2.116 309 D HA -0.167 4.473 4.640 -0.000 0.000 0.193 309 D C 2.292 178.738 176.300 0.243 0.000 0.998 309 D CA 1.213 55.331 54.000 0.198 0.000 0.836 309 D CB -0.450 40.588 40.800 0.397 0.000 0.951 309 D HN 0.452 nan 8.370 nan 0.000 0.449 310 R N 0.207 120.826 120.500 0.199 0.000 2.148 310 R HA -0.022 4.318 4.340 -0.000 0.000 0.227 310 R C 2.012 178.379 176.300 0.111 0.000 1.103 310 R CA 1.121 57.339 56.100 0.197 0.000 0.983 310 R CB -0.051 30.360 30.300 0.186 0.000 0.874 310 R HN 0.128 nan 8.270 nan 0.000 0.451 311 A N 0.656 123.470 122.820 -0.009 0.000 1.898 311 A HA -0.158 4.161 4.320 -0.000 0.000 0.216 311 A C 2.125 179.759 177.584 0.084 0.000 1.181 311 A CA 1.362 53.327 52.037 -0.119 0.000 0.620 311 A CB -0.340 18.482 19.000 -0.296 0.000 0.819 311 A HN 0.307 nan 8.150 nan 0.000 0.442 312 M N -1.072 118.638 119.600 0.184 0.000 2.132 312 M HA -0.090 4.389 4.480 -0.000 0.000 0.263 312 M C 1.906 178.534 176.300 0.548 0.000 1.065 312 M CA 0.995 56.466 55.300 0.284 0.000 1.122 312 M CB -0.407 32.122 32.600 -0.117 0.000 1.365 312 M HN 0.286 nan 8.290 nan 0.000 0.411 313 L N -0.373 121.160 121.223 0.518 0.000 2.129 313 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 313 L C 1.760 178.815 176.870 0.308 0.000 1.087 313 L CA 2.053 57.083 54.840 0.317 0.000 0.757 313 L CB -1.273 40.835 42.059 0.083 0.000 0.896 313 L HN 0.340 nan 8.230 nan 0.000 0.434 314 H N -2.262 116.925 119.070 0.195 0.000 2.549 314 H HA 0.359 4.915 4.556 -0.000 0.000 0.279 314 H C 1.791 177.173 175.328 0.091 0.000 1.018 314 H CA 0.502 56.606 56.048 0.094 0.000 1.175 314 H CB 0.160 29.854 29.762 -0.113 0.000 1.485 314 H HN 0.195 nan 8.280 nan 0.000 0.543 315 A N 0.813 123.745 122.820 0.187 0.000 2.209 315 A HA -0.131 4.189 4.320 -0.000 0.000 0.212 315 A C 1.784 179.316 177.584 -0.085 0.000 1.158 315 A CA 1.339 53.317 52.037 -0.097 0.000 0.742 315 A CB -0.125 18.757 19.000 -0.197 0.000 0.790 315 A HN 0.568 nan 8.150 nan 0.000 0.472 316 D N -1.037 119.462 120.400 0.165 0.000 2.323 316 D HA 0.194 4.834 4.640 -0.000 0.000 0.209 316 D C 1.270 177.763 176.300 0.322 0.000 0.973 316 D CA 1.060 55.225 54.000 0.276 0.000 0.874 316 D CB -0.598 40.498 40.800 0.493 0.000 0.930 316 D HN 0.576 nan 8.370 nan 0.000 0.521 317 G N 0.925 109.876 108.800 0.252 0.000 2.574 317 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.286 317 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.286 317 G C 0.610 175.569 174.900 0.098 0.000 1.212 317 G CA 0.789 46.026 45.100 0.229 0.000 0.979 317 G HN 0.359 nan 8.290 nan 0.000 0.557 318 S N 0.663 116.219 115.700 -0.239 0.000 2.597 318 S HA 0.442 4.911 4.470 -0.000 0.000 0.224 318 S C -0.360 174.044 174.600 -0.327 0.000 0.955 318 S CA 0.406 58.400 58.200 -0.343 0.000 0.933 318 S CB -0.025 62.894 63.200 -0.469 0.000 0.788 318 S HN 0.463 nan 8.310 nan 0.000 0.488 319 Y N 0.090 120.505 120.300 0.192 0.000 2.409 319 Y HA 0.526 5.076 4.550 -0.000 0.000 0.343 319 Y C -0.388 175.239 175.900 -0.455 0.000 0.973 319 Y CA -1.821 56.240 58.100 -0.064 0.000 1.064 319 Y CB 0.699 39.170 38.460 0.018 0.000 1.207 319 Y HN 0.115 nan 8.280 nan 0.000 0.452 320 F N 3.513 123.043 119.950 -0.700 0.000 2.467 320 F HA 0.553 5.080 4.527 -0.000 0.000 0.362 320 F C -0.817 174.894 175.800 -0.148 0.000 1.090 320 F CA -0.625 57.001 58.000 -0.624 0.000 1.202 320 F CB 0.378 39.074 39.000 -0.506 0.000 1.113 320 F HN 0.194 nan 8.300 nan 0.000 0.541 321 V N 9.272 128.691 119.914 -0.824 0.000 2.447 321 V HA 0.237 4.357 4.120 -0.000 0.000 0.292 321 V C -1.859 173.790 176.094 -0.741 0.000 1.021 321 V CA -1.233 60.726 62.300 -0.569 0.000 0.850 321 V CB 1.590 33.307 31.823 -0.175 0.000 1.005 321 V HN 0.646 nan 8.190 nan 0.000 0.426 322 P HA 0.026 nan 4.420 nan 0.000 0.218 322 P C 0.273 177.488 177.300 -0.142 0.000 1.149 322 P CA 0.999 63.900 63.100 -0.332 0.000 0.817 322 P CB 0.410 32.058 31.700 -0.086 0.000 0.785 323 A N -0.310 122.442 122.820 -0.112 0.000 2.353 323 A HA 0.698 5.018 4.320 -0.000 0.000 0.299 323 A C -1.376 176.193 177.584 -0.025 0.000 1.089 323 A CA -0.514 51.499 52.037 -0.039 0.000 0.736 323 A CB 0.564 19.550 19.000 -0.024 0.000 1.195 323 A HN 0.114 nan 8.150 nan 0.000 0.447 324 L N 2.372 123.614 121.223 0.031 0.000 2.543 324 L HA 0.690 5.030 4.340 -0.000 0.000 0.265 324 L C -0.685 176.254 176.870 0.115 0.000 0.945 324 L CA -0.426 54.452 54.840 0.064 0.000 0.869 324 L CB 1.750 43.852 42.059 0.071 0.000 1.294 324 L HN 0.892 nan 8.230 nan 0.000 0.405 325 R N 4.699 125.263 120.500 0.107 0.000 2.670 325 R HA 0.827 5.167 4.340 -0.000 0.000 0.289 325 R C -1.773 174.614 176.300 0.146 0.000 0.965 325 R CA -0.472 55.709 56.100 0.136 0.000 0.899 325 R CB 1.708 32.062 30.300 0.090 0.000 1.173 325 R HN 0.620 nan 8.270 nan 0.000 0.456 326 I N 2.131 122.788 120.570 0.144 0.000 2.533 326 I HA 0.311 4.481 4.170 -0.000 0.000 0.290 326 I C -0.731 175.369 176.117 -0.030 0.000 1.056 326 I CA -0.555 60.765 61.300 0.034 0.000 1.057 326 I CB 2.214 40.200 38.000 -0.023 0.000 1.240 326 I HN 0.604 nan 8.210 nan 0.000 0.423 327 E N 4.421 124.589 120.200 -0.054 0.000 2.141 327 E HA 0.351 4.701 4.350 -0.000 0.000 0.259 327 E C -1.174 175.372 176.600 -0.089 0.000 0.883 327 E CA -0.285 56.069 56.400 -0.077 0.000 0.744 327 E CB 1.405 31.111 29.700 0.011 0.000 1.150 327 E HN 0.547 nan 8.360 nan 0.000 0.420 328 S N 4.434 120.021 115.700 -0.188 0.000 2.429 328 S HA 0.265 4.735 4.470 -0.000 0.000 0.302 328 S C -0.889 173.581 174.600 -0.216 0.000 1.115 328 S CA -0.642 57.509 58.200 -0.081 0.000 1.095 328 S CB 0.379 63.529 63.200 -0.083 0.000 0.987 328 S HN 0.520 nan 8.310 nan 0.000 0.474 329 H N 5.524 124.596 119.070 0.005 0.000 2.581 329 H HA 0.307 4.863 4.556 -0.000 0.000 0.308 329 H C -0.049 175.250 175.328 -0.048 0.000 1.040 329 H CA -0.746 55.290 56.048 -0.021 0.000 1.231 329 H CB 0.757 30.507 29.762 -0.020 0.000 1.396 329 H HN 0.557 nan 8.280 nan 0.000 0.467 330 R N 4.215 124.749 120.500 0.057 0.000 2.565 330 R HA 0.261 4.601 4.340 -0.000 0.000 0.286 330 R C -0.421 175.960 176.300 0.135 0.000 1.256 330 R CA -0.537 55.604 56.100 0.069 0.000 1.238 330 R CB -0.225 30.121 30.300 0.077 0.000 1.153 330 R HN 0.397 nan 8.270 nan 0.000 0.553 331 L N 2.252 123.517 121.223 0.070 0.000 2.326 331 L HA 0.423 4.762 4.340 -0.000 0.000 0.278 331 L C 0.889 177.768 176.870 0.014 0.000 1.092 331 L CA -0.544 54.304 54.840 0.012 0.000 0.810 331 L CB 0.821 42.862 42.059 -0.030 0.000 1.153 331 L HN 0.334 nan 8.230 nan 0.000 0.439 332 R N 1.919 122.323 120.500 -0.161 0.000 2.308 332 R HA 0.474 4.814 4.340 -0.000 0.000 0.305 332 R C -0.729 175.513 176.300 -0.096 0.000 1.053 332 R CA -0.209 55.757 56.100 -0.223 0.000 0.957 332 R CB 0.973 30.847 30.300 -0.710 0.000 1.022 332 R HN 0.820 nan 8.270 nan 0.000 0.461 333 T N 0.384 114.929 114.554 -0.016 0.000 2.909 333 T HA 0.240 4.589 4.350 -0.000 0.000 0.299 333 T C -0.150 174.568 174.700 0.031 0.000 1.073 333 T CA -1.045 61.034 62.100 -0.034 0.000 0.999 333 T CB 1.443 70.245 68.868 -0.110 0.000 1.098 333 T HN 0.608 nan 8.240 nan 0.000 0.477 334 N N 1.800 120.517 118.700 0.028 0.000 2.926 334 N HA 0.220 4.960 4.740 -0.000 0.000 0.284 334 N C 0.398 175.946 175.510 0.063 0.000 1.303 334 N CA -0.048 53.062 53.050 0.100 0.000 1.062 334 N CB 0.026 38.555 38.487 0.069 0.000 1.389 334 N HN 0.826 nan 8.380 nan 0.000 0.538 335 T N -3.765 110.783 114.554 -0.010 0.000 2.807 335 T HA 0.357 4.707 4.350 -0.000 0.000 0.277 335 T C -0.034 174.576 174.700 -0.150 0.000 1.006 335 T CA -1.033 61.006 62.100 -0.102 0.000 1.006 335 T CB 0.837 69.406 68.868 -0.498 0.000 1.274 335 T HN -0.166 nan 8.240 nan 0.000 0.569 336 Q N 1.429 121.113 119.800 -0.194 0.000 2.304 336 Q HA 0.295 4.635 4.340 -0.000 0.000 0.301 336 Q C 0.212 176.112 176.000 -0.166 0.000 1.063 336 Q CA 0.307 55.892 55.803 -0.364 0.000 0.947 336 Q CB 0.358 29.071 28.738 -0.042 0.000 1.201 336 Q HN 0.683 nan 8.270 nan 0.000 0.389 337 S N 3.632 119.241 115.700 -0.152 0.000 2.465 337 S HA 0.054 4.524 4.470 -0.000 0.000 0.307 337 S C -0.195 174.280 174.600 -0.207 0.000 1.187 337 S CA -0.651 57.397 58.200 -0.253 0.000 1.141 337 S CB -0.334 62.557 63.200 -0.516 0.000 1.108 337 S HN 0.453 nan 8.310 nan 0.000 0.525 338 N N 3.317 121.844 118.700 -0.288 0.000 2.454 338 N HA 0.133 4.873 4.740 -0.000 0.000 0.254 338 N C 0.341 175.638 175.510 -0.356 0.000 1.228 338 N CA 0.334 53.111 53.050 -0.455 0.000 0.900 338 N CB 1.165 39.089 38.487 -0.939 0.000 1.089 338 N HN 0.632 nan 8.380 nan 0.000 0.449 339 T N -0.751 113.740 114.554 -0.105 0.000 2.604 339 T HA 0.684 5.034 4.350 -0.000 0.000 0.267 339 T C -0.901 173.944 174.700 0.241 0.000 0.923 339 T CA -0.561 61.615 62.100 0.127 0.000 1.077 339 T CB 0.587 69.535 68.868 0.134 0.000 1.392 339 T HN 0.474 nan 8.240 nan 0.000 0.531 340 A N 0.958 123.945 122.820 0.279 0.000 2.445 340 A HA 0.604 4.924 4.320 -0.000 0.000 0.242 340 A C -0.719 177.157 177.584 0.487 0.000 1.075 340 A CA -0.070 52.204 52.037 0.395 0.000 0.777 340 A CB -0.537 18.787 19.000 0.541 0.000 1.013 340 A HN 0.749 nan 8.150 nan 0.000 0.493 341 F N 1.888 121.986 119.950 0.247 0.000 2.749 341 F HA 0.345 4.872 4.527 -0.000 0.000 0.339 341 F C 0.449 176.198 175.800 -0.086 0.000 1.211 341 F CA -1.058 57.035 58.000 0.155 0.000 1.099 341 F CB 0.961 39.913 39.000 -0.080 0.000 1.359 341 F HN 0.813 nan 8.300 nan 0.000 0.549 342 R N 4.220 124.980 120.500 0.433 0.000 4.377 342 R HA -0.155 4.185 4.340 -0.000 0.000 0.109 342 R C 0.833 176.897 176.300 -0.393 0.000 0.297 342 R CA 1.937 58.050 56.100 0.022 0.000 0.796 342 R CB -0.838 29.514 30.300 0.088 0.000 1.143 342 R HN 1.210 nan 8.270 nan 0.000 0.254 343 G N 3.224 111.936 108.800 -0.148 0.000 2.541 343 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.201 343 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.201 343 G C 0.179 175.161 174.900 0.138 0.000 1.026 343 G CA -0.136 44.930 45.100 -0.057 0.000 0.687 343 G HN 0.760 nan 8.290 nan 0.000 0.492 344 F N 1.029 120.910 119.950 -0.113 0.000 2.797 344 F HA 0.082 4.609 4.527 -0.000 0.000 0.273 344 F C 1.769 177.493 175.800 -0.126 0.000 1.020 344 F CA 2.383 60.349 58.000 -0.057 0.000 0.961 344 F CB -1.003 37.988 39.000 -0.014 0.000 1.020 344 F HN 2.069 nan 8.300 nan 0.000 0.840 345 G N 0.472 109.122 108.800 -0.251 0.000 2.412 345 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.252 345 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.252 345 G C 1.774 176.470 174.900 -0.340 0.000 1.038 345 G CA 1.085 46.004 45.100 -0.301 0.000 0.628 345 G HN 1.704 nan 8.290 nan 0.000 0.531 346 G N 1.902 110.503 108.800 -0.331 0.000 2.553 346 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.218 346 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.218 346 G C 0.170 174.892 174.900 -0.297 0.000 1.195 346 G CA 2.127 46.900 45.100 -0.545 0.000 0.779 346 G HN 0.576 nan 8.290 nan 0.000 0.577 347 P HA -0.062 nan 4.420 nan 0.000 0.216 347 P C 1.783 179.110 177.300 0.046 0.000 1.153 347 P CA 1.369 64.484 63.100 0.025 0.000 0.848 347 P CB -0.060 31.641 31.700 0.003 0.000 0.787 348 Q N -0.405 119.314 119.800 -0.134 0.000 2.045 348 Q HA -0.120 4.220 4.340 -0.000 0.000 0.206 348 Q C 2.479 178.228 176.000 -0.419 0.000 0.991 348 Q CA 2.232 57.859 55.803 -0.294 0.000 0.851 348 Q CB -1.720 26.476 28.738 -0.903 0.000 0.911 348 Q HN 0.262 nan 8.270 nan 0.000 0.418 349 G N 0.011 108.516 108.800 -0.491 0.000 2.422 349 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.218 349 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.218 349 G C 1.452 176.279 174.900 -0.122 0.000 1.146 349 G CA 0.881 45.775 45.100 -0.344 0.000 0.769 349 G HN 0.450 nan 8.290 nan 0.000 0.547 350 A N 0.333 123.140 122.820 -0.023 0.000 1.897 350 A HA 0.168 4.488 4.320 -0.000 0.000 0.215 350 A C 2.320 179.968 177.584 0.107 0.000 1.181 350 A CA 1.458 53.544 52.037 0.083 0.000 0.620 350 A CB -0.396 18.686 19.000 0.137 0.000 0.821 350 A HN 0.426 nan 8.150 nan 0.000 0.443 351 L N 0.288 121.578 121.223 0.113 0.000 2.083 351 L HA -0.032 4.308 4.340 -0.000 0.000 0.209 351 L C 2.343 179.332 176.870 0.199 0.000 1.083 351 L CA 2.124 57.057 54.840 0.155 0.000 0.752 351 L CB -0.895 41.253 42.059 0.149 0.000 0.899 351 L HN 0.310 nan 8.230 nan 0.000 0.433 352 G N -0.410 108.486 108.800 0.160 0.000 2.491 352 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.218 352 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.218 352 G C 1.554 176.545 174.900 0.152 0.000 1.180 352 G CA 1.226 46.462 45.100 0.228 0.000 0.774 352 G HN 0.427 nan 8.290 nan 0.000 0.562 353 M N 0.529 120.138 119.600 0.015 0.000 2.175 353 M HA 0.079 4.558 4.480 -0.000 0.000 0.264 353 M C 2.194 178.567 176.300 0.122 0.000 1.063 353 M CA 1.233 56.627 55.300 0.157 0.000 1.119 353 M CB -0.321 32.378 32.600 0.164 0.000 1.377 353 M HN 0.127 nan 8.290 nan 0.000 0.415 354 E N -0.293 119.986 120.200 0.131 0.000 2.106 354 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 354 E C 2.212 178.806 176.600 -0.009 0.000 0.984 354 E CA 0.699 57.166 56.400 0.111 0.000 0.806 354 E CB -0.430 29.372 29.700 0.170 0.000 0.750 354 E HN 0.401 nan 8.360 nan 0.000 0.458 355 R N 0.679 121.127 120.500 -0.087 0.000 2.075 355 R HA 0.034 4.374 4.340 -0.000 0.000 0.232 355 R C 2.066 178.170 176.300 -0.326 0.000 1.126 355 R CA 1.181 57.124 56.100 -0.261 0.000 0.963 355 R CB -0.507 29.432 30.300 -0.602 0.000 0.858 355 R HN 0.142 nan 8.270 nan 0.000 0.435 356 A N 0.714 123.240 122.820 -0.490 0.000 1.873 356 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 356 A C 2.310 179.769 177.584 -0.209 0.000 1.186 356 A CA 1.230 52.908 52.037 -0.597 0.000 0.616 356 A CB -0.577 18.145 19.000 -0.464 0.000 0.823 356 A HN 0.339 nan 8.150 nan 0.000 0.442 357 I N -0.750 119.721 120.570 -0.165 0.000 2.394 357 I HA -0.214 3.956 4.170 -0.000 0.000 0.251 357 I C 2.355 178.414 176.117 -0.096 0.000 1.136 357 I CA 1.857 63.050 61.300 -0.178 0.000 1.425 357 I CB -0.017 37.775 38.000 -0.347 0.000 1.079 357 I HN 0.482 nan 8.210 nan 0.000 0.425 358 E N 0.102 120.272 120.200 -0.049 0.000 2.047 358 E HA -0.310 4.039 4.350 -0.000 0.000 0.191 358 E C 2.254 178.911 176.600 0.095 0.000 0.987 358 E CA 1.453 57.869 56.400 0.027 0.000 0.799 358 E CB -0.240 29.447 29.700 -0.023 0.000 0.752 358 E HN 0.467 nan 8.360 nan 0.000 0.449 359 H N -0.027 119.005 119.070 -0.064 0.000 2.353 359 H HA -0.112 4.444 4.556 -0.000 0.000 0.300 359 H C 2.075 177.261 175.328 -0.236 0.000 1.090 359 H CA 1.632 57.492 56.048 -0.313 0.000 1.327 359 H CB -0.426 29.136 29.762 -0.333 0.000 1.383 359 H HN 0.279 nan 8.280 nan 0.000 0.508 360 L N 0.589 121.818 121.223 0.010 0.000 2.046 360 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 360 L C 2.630 179.470 176.870 -0.051 0.000 1.077 360 L CA 1.919 56.727 54.840 -0.053 0.000 0.747 360 L CB -0.931 41.072 42.059 -0.093 0.000 0.896 360 L HN 0.287 nan 8.230 nan 0.000 0.432 361 A N -0.627 122.174 122.820 -0.032 0.000 1.877 361 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 361 A C 2.292 179.883 177.584 0.011 0.000 1.186 361 A CA 1.419 53.441 52.037 -0.025 0.000 0.620 361 A CB -0.493 18.508 19.000 0.001 0.000 0.822 361 A HN 0.411 nan 8.150 nan 0.000 0.443 362 R N -0.503 120.042 120.500 0.074 0.000 2.148 362 R HA -0.080 4.260 4.340 -0.000 0.000 0.227 362 R C 2.247 178.584 176.300 0.061 0.000 1.103 362 R CA 1.122 57.291 56.100 0.114 0.000 0.983 362 R CB -1.116 29.344 30.300 0.267 0.000 0.874 362 R HN 0.540 nan 8.270 nan 0.000 0.451 363 G N 1.700 110.519 108.800 0.031 0.000 2.408 363 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.217 363 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.217 363 G C 1.422 176.327 174.900 0.008 0.000 1.150 363 G CA 0.649 45.762 45.100 0.022 0.000 0.776 363 G HN 0.408 nan 8.290 nan 0.000 0.542 364 M N -0.765 118.803 119.600 -0.053 0.000 2.475 364 M HA 0.511 4.991 4.480 -0.000 0.000 0.261 364 M C 1.163 177.413 176.300 -0.084 0.000 1.177 364 M CA 0.311 55.537 55.300 -0.123 0.000 0.979 364 M CB 0.451 32.775 32.600 -0.460 0.000 1.482 364 M HN 0.205 nan 8.290 nan 0.000 0.484 365 G N 2.302 111.082 108.800 -0.032 0.000 2.305 365 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.287 365 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.287 365 G C -0.217 174.666 174.900 -0.028 0.000 1.036 365 G CA 0.481 45.571 45.100 -0.017 0.000 0.887 365 G HN 0.672 nan 8.290 nan 0.000 0.505 366 R N -0.284 120.193 120.500 -0.038 0.000 2.562 366 R HA 0.446 4.786 4.340 -0.000 0.000 0.298 366 R C -0.310 175.981 176.300 -0.016 0.000 0.961 366 R CA -0.801 55.274 56.100 -0.041 0.000 0.881 366 R CB 0.870 31.123 30.300 -0.078 0.000 1.159 366 R HN 0.198 nan 8.270 nan 0.000 0.450 367 D N 4.485 124.880 120.400 -0.008 0.000 2.472 367 D HA -0.000 4.640 4.640 -0.000 0.000 0.248 367 D C -1.628 174.689 176.300 0.027 0.000 1.174 367 D CA -1.144 52.864 54.000 0.012 0.000 0.883 367 D CB 1.295 42.101 40.800 0.010 0.000 1.149 367 D HN 0.245 nan 8.370 nan 0.000 0.488 368 P HA -0.155 nan 4.420 nan 0.000 0.215 368 P C 0.967 178.305 177.300 0.064 0.000 1.153 368 P CA 1.655 64.791 63.100 0.060 0.000 0.853 368 P CB 0.052 31.816 31.700 0.107 0.000 0.788 369 A N 0.122 123.016 122.820 0.123 0.000 1.902 369 A HA -0.235 4.084 4.320 -0.000 0.000 0.217 369 A C 2.375 179.993 177.584 0.057 0.000 1.181 369 A CA 1.654 53.777 52.037 0.144 0.000 0.623 369 A CB -1.230 17.960 19.000 0.316 0.000 0.818 369 A HN 0.149 nan 8.150 nan 0.000 0.443 370 E N -0.315 119.911 120.200 0.043 0.000 2.106 370 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 370 E C 1.893 178.460 176.600 -0.055 0.000 0.984 370 E CA 1.249 57.649 56.400 0.001 0.000 0.806 370 E CB -0.192 29.513 29.700 0.008 0.000 0.750 370 E HN 0.450 nan 8.360 nan 0.000 0.458 371 L N 1.111 122.296 121.223 -0.064 0.000 2.156 371 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 371 L C 2.511 179.282 176.870 -0.165 0.000 1.095 371 L CA 1.282 56.059 54.840 -0.105 0.000 0.770 371 L CB -0.166 41.831 42.059 -0.103 0.000 0.914 371 L HN -0.019 nan 8.230 nan 0.000 0.439 372 R N -0.898 119.500 120.500 -0.170 0.000 2.062 372 R HA -0.048 4.292 4.340 -0.000 0.000 0.231 372 R C 2.269 178.107 176.300 -0.771 0.000 1.136 372 R CA 1.213 57.170 56.100 -0.238 0.000 0.948 372 R CB -0.700 29.580 30.300 -0.034 0.000 0.845 372 R HN 0.439 nan 8.270 nan 0.000 0.430 373 A N 1.236 123.682 122.820 -0.624 0.000 1.986 373 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 373 A C 2.065 179.462 177.584 -0.311 0.000 1.171 373 A CA 1.213 52.925 52.037 -0.542 0.000 0.640 373 A CB -0.431 18.504 19.000 -0.108 0.000 0.811 373 A HN 0.246 nan 8.150 nan 0.000 0.451 374 L N -0.421 120.677 121.223 -0.208 0.000 2.291 374 L HA 0.013 4.352 4.340 -0.000 0.000 0.214 374 L C 1.127 177.958 176.870 -0.064 0.000 1.120 374 L CA 1.451 56.235 54.840 -0.094 0.000 0.799 374 L CB -0.185 41.832 42.059 -0.070 0.000 0.925 374 L HN 0.379 nan 8.230 nan 0.000 0.446 375 N N -1.553 117.082 118.700 -0.109 0.000 2.200 375 N HA 0.133 4.872 4.740 -0.000 0.000 0.224 375 N C -0.279 175.353 175.510 0.204 0.000 1.179 375 N CA -0.102 52.977 53.050 0.048 0.000 0.877 375 N CB 0.388 38.887 38.487 0.021 0.000 1.072 375 N HN 0.202 nan 8.380 nan 0.000 0.519 376 F N 0.728 120.761 119.950 0.139 0.000 2.450 376 F HA 0.118 4.645 4.527 -0.000 0.000 0.339 376 F C 0.951 176.751 175.800 0.001 0.000 1.146 376 F CA -0.827 57.190 58.000 0.029 0.000 1.267 376 F CB 0.428 39.432 39.000 0.007 0.000 1.178 376 F HN -0.012 nan 8.300 nan 0.000 0.585 377 Y N 1.293 121.736 120.300 0.237 0.000 2.652 377 Y HA -0.081 4.469 4.550 -0.000 0.000 0.344 377 Y C 0.835 176.752 175.900 0.028 0.000 1.254 377 Y CA -0.205 57.953 58.100 0.097 0.000 1.480 377 Y CB 0.069 38.547 38.460 0.030 0.000 1.345 377 Y HN 0.438 nan 8.280 nan 0.000 0.617 378 D N 3.144 123.628 120.400 0.141 0.000 2.368 378 D HA 0.115 4.755 4.640 -0.000 0.000 0.240 378 D C -2.192 174.120 176.300 0.019 0.000 1.169 378 D CA -0.966 53.066 54.000 0.052 0.000 0.906 378 D CB 0.381 41.182 40.800 0.001 0.000 1.187 378 D HN 0.253 nan 8.370 nan 0.000 0.435 379 P HA 0.187 nan 4.420 nan 0.000 0.272 379 P C -2.458 174.835 177.300 -0.012 0.000 1.240 379 P CA -0.894 62.190 63.100 -0.027 0.000 0.791 379 P CB -0.291 31.404 31.700 -0.010 0.000 0.978 380 P HA 0.140 nan 4.420 nan 0.000 0.269 380 P C -0.464 176.839 177.300 0.006 0.000 1.209 380 P CA 0.705 63.808 63.100 0.004 0.000 0.776 380 P CB 0.082 31.789 31.700 0.012 0.000 0.876 399 K N 1.283 121.680 120.400 -0.004 0.000 2.218 399 K HA 0.328 4.648 4.320 -0.000 0.000 0.276 399 K C -0.705 175.887 176.600 -0.013 0.000 1.022 399 K CA -0.372 55.914 56.287 -0.001 0.000 0.946 399 K CB 0.725 33.230 32.500 0.008 0.000 1.000 399 K HN 0.581 nan 8.250 nan 0.000 0.468 400 T N 3.292 117.843 114.554 -0.005 0.000 2.884 400 T HA 0.058 4.408 4.350 -0.000 0.000 0.298 400 T C 0.260 174.956 174.700 -0.007 0.000 0.998 400 T CA -0.354 61.741 62.100 -0.009 0.000 1.124 400 T CB 0.428 69.300 68.868 0.008 0.000 0.931 400 T HN 0.383 nan 8.240 nan 0.000 0.531 401 Q N 1.768 121.545 119.800 -0.039 0.000 2.414 401 Q HA 0.262 4.602 4.340 -0.000 0.000 0.288 401 Q C 0.778 176.856 176.000 0.131 0.000 1.086 401 Q CA 0.013 55.806 55.803 -0.017 0.000 0.943 401 Q CB 0.251 28.898 28.738 -0.151 0.000 1.282 401 Q HN 0.785 nan 8.270 nan 0.000 0.438 402 T N -2.281 112.425 114.554 0.253 0.000 2.950 402 T HA 0.508 4.858 4.350 -0.000 0.000 0.288 402 T C 0.206 175.045 174.700 0.233 0.000 1.035 402 T CA -0.939 61.249 62.100 0.146 0.000 1.028 402 T CB 1.429 70.337 68.868 0.067 0.000 1.109 402 T HN 0.652 nan 8.240 nan 0.000 0.514 403 T N -0.721 113.770 114.554 -0.105 0.000 2.766 403 T HA 0.135 4.485 4.350 -0.000 0.000 0.295 403 T C 1.614 176.185 174.700 -0.215 0.000 1.024 403 T CA -0.187 61.780 62.100 -0.222 0.000 1.018 403 T CB 0.111 68.404 68.868 -0.957 0.000 1.002 403 T HN 0.909 nan 8.240 nan 0.000 0.532 404 H N 0.331 119.386 119.070 -0.026 0.000 2.457 404 H HA -0.161 4.395 4.556 -0.000 0.000 0.297 404 H C 1.384 176.768 175.328 0.094 0.000 1.092 404 H CA 1.738 57.833 56.048 0.079 0.000 1.309 404 H CB -0.826 29.055 29.762 0.198 0.000 1.382 404 H HN 0.939 nan 8.280 nan 0.000 0.535 405 Y N -0.591 119.460 120.300 -0.416 0.000 2.462 405 Y HA 0.469 5.018 4.550 -0.000 0.000 0.293 405 Y C 1.408 177.220 175.900 -0.147 0.000 1.195 405 Y CA -0.395 57.521 58.100 -0.307 0.000 1.276 405 Y CB -0.132 38.066 38.460 -0.438 0.000 1.082 405 Y HN 0.251 nan 8.280 nan 0.000 0.514 406 G N 0.873 109.535 108.800 -0.228 0.000 2.248 406 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.263 406 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.263 406 G C -0.391 174.437 174.900 -0.120 0.000 1.082 406 G CA 0.203 45.238 45.100 -0.108 0.000 0.863 406 G HN 0.611 nan 8.290 nan 0.000 0.495 407 Q N -0.111 119.531 119.800 -0.264 0.000 2.331 407 Q HA 0.417 4.757 4.340 -0.000 0.000 0.267 407 Q C 0.118 176.076 176.000 -0.070 0.000 1.006 407 Q CA -0.688 55.039 55.803 -0.127 0.000 0.818 407 Q CB 1.130 29.826 28.738 -0.069 0.000 1.276 407 Q HN 0.542 nan 8.270 nan 0.000 0.450 408 E N 1.578 121.782 120.200 0.006 0.000 2.414 408 E HA 0.058 4.408 4.350 -0.000 0.000 0.263 408 E C -0.795 175.837 176.600 0.054 0.000 1.000 408 E CA 0.040 56.454 56.400 0.024 0.000 0.914 408 E CB 0.987 30.708 29.700 0.035 0.000 0.948 408 E HN 0.299 nan 8.360 nan 0.000 0.444 409 V N 3.187 123.086 119.914 -0.026 0.000 2.240 409 V HA 0.216 4.336 4.120 -0.000 0.000 0.265 409 V C 0.564 176.669 176.094 0.018 0.000 1.073 409 V CA -0.104 62.164 62.300 -0.053 0.000 0.857 409 V CB 0.685 32.202 31.823 -0.510 0.000 1.114 409 V HN 0.789 nan 8.190 nan 0.000 0.469 410 A N 2.793 125.664 122.820 0.086 0.000 2.387 410 A HA 0.207 4.526 4.320 -0.000 0.000 0.234 410 A C 1.059 178.686 177.584 0.071 0.000 1.253 410 A CA 0.345 52.419 52.037 0.061 0.000 0.894 410 A CB -0.010 19.025 19.000 0.058 0.000 0.963 410 A HN 0.757 nan 8.150 nan 0.000 0.508 411 D N -1.867 118.603 120.400 0.116 0.000 2.563 411 D HA 0.082 4.722 4.640 -0.000 0.000 0.237 411 D C -0.002 176.263 176.300 -0.057 0.000 1.282 411 D CA -0.272 53.801 54.000 0.121 0.000 0.816 411 D CB -1.234 39.725 40.800 0.265 0.000 1.066 411 D HN 0.105 nan 8.370 nan 0.000 0.501 412 C N 1.787 120.969 119.300 -0.197 0.000 2.566 412 C HA 0.372 4.832 4.460 -0.000 0.000 0.393 412 C C 1.519 176.166 174.990 -0.572 0.000 1.309 412 C CA -0.219 58.417 59.018 -0.636 0.000 1.801 412 C CB -0.462 27.102 27.740 -0.293 0.000 2.493 412 C HN 0.339 nan 8.230 nan 0.000 0.575 413 V N 4.974 124.362 119.914 -0.876 0.000 3.253 413 V HA 0.223 4.342 4.120 -0.000 0.000 0.320 413 V C 1.341 177.031 176.094 -0.673 0.000 1.442 413 V CA 0.365 62.321 62.300 -0.573 0.000 1.097 413 V CB -0.889 30.666 31.823 -0.446 0.000 1.008 413 V HN 0.848 nan 8.190 nan 0.000 0.463 414 L N 1.625 122.404 121.223 -0.740 0.000 2.042 414 L HA 0.002 4.342 4.340 -0.000 0.000 0.210 414 L C 2.762 179.325 176.870 -0.512 0.000 1.076 414 L CA 2.205 56.591 54.840 -0.756 0.000 0.749 414 L CB -0.821 40.562 42.059 -1.126 0.000 0.893 414 L HN 0.530 nan 8.230 nan 0.000 0.432 415 G N -0.594 108.045 108.800 -0.267 0.000 2.553 415 G HA2 -0.357 3.602 3.960 -0.000 0.000 0.218 415 G HA3 -0.357 3.602 3.960 -0.000 0.000 0.218 415 G C 1.459 176.340 174.900 -0.032 0.000 1.195 415 G CA 1.061 46.170 45.100 0.015 0.000 0.779 415 G HN 0.436 nan 8.290 nan 0.000 0.577 416 E N -0.331 119.818 120.200 -0.086 0.000 2.150 416 E HA 0.005 4.355 4.350 -0.000 0.000 0.193 416 E C 2.452 179.006 176.600 -0.078 0.000 0.985 416 E CA 0.453 56.854 56.400 0.001 0.000 0.814 416 E CB -0.124 29.656 29.700 0.133 0.000 0.752 416 E HN 0.452 nan 8.360 nan 0.000 0.466 417 L N 0.019 120.970 121.223 -0.453 0.000 2.044 417 L HA -0.133 4.207 4.340 -0.000 0.000 0.205 417 L C 2.256 178.990 176.870 -0.227 0.000 1.075 417 L CA 0.841 55.308 54.840 -0.620 0.000 0.747 417 L CB -0.088 41.333 42.059 -1.063 0.000 0.903 417 L HN 0.016 nan 8.230 nan 0.000 0.435 418 V N -0.137 119.669 119.914 -0.180 0.000 2.343 418 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 418 V C 2.555 178.650 176.094 0.001 0.000 1.051 418 V CA 2.332 64.601 62.300 -0.052 0.000 1.036 418 V CB -0.903 30.971 31.823 0.086 0.000 0.654 418 V HN 0.559 nan 8.190 nan 0.000 0.451 419 T N -0.360 114.215 114.554 0.034 0.000 2.720 419 T HA -0.269 4.081 4.350 -0.000 0.000 0.268 419 T C 2.033 176.773 174.700 0.067 0.000 1.037 419 T CA 1.839 63.977 62.100 0.064 0.000 1.144 419 T CB -0.303 68.610 68.868 0.076 0.000 0.864 419 T HN 0.380 nan 8.240 nan 0.000 0.444 420 R N 0.345 120.894 120.500 0.082 0.000 2.096 420 R HA -0.039 4.301 4.340 -0.000 0.000 0.235 420 R C 2.425 178.772 176.300 0.078 0.000 1.127 420 R CA 1.065 57.233 56.100 0.113 0.000 0.968 420 R CB -0.412 30.018 30.300 0.216 0.000 0.861 420 R HN 0.324 nan 8.270 nan 0.000 0.440 421 L N 1.163 122.409 121.223 0.040 0.000 2.027 421 L HA -0.155 4.185 4.340 -0.000 0.000 0.206 421 L C 2.148 179.005 176.870 -0.022 0.000 1.074 421 L CA 1.723 56.565 54.840 0.003 0.000 0.745 421 L CB -0.334 41.701 42.059 -0.039 0.000 0.898 421 L HN 0.191 nan 8.230 nan 0.000 0.433 422 Q N -0.542 119.233 119.800 -0.041 0.000 2.096 422 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 422 Q C 2.019 178.082 176.000 0.104 0.000 0.982 422 Q CA 1.623 57.411 55.803 -0.025 0.000 0.850 422 Q CB -0.119 28.638 28.738 0.031 0.000 0.901 422 Q HN 0.457 nan 8.270 nan 0.000 0.422 423 K N 0.282 120.735 120.400 0.089 0.000 2.103 423 K HA -0.048 4.272 4.320 -0.000 0.000 0.204 423 K C 2.238 178.883 176.600 0.076 0.000 1.052 423 K CA 1.471 57.812 56.287 0.091 0.000 0.945 423 K CB -0.294 32.253 32.500 0.078 0.000 0.722 423 K HN 0.214 nan 8.250 nan 0.000 0.443 424 S N 0.907 116.645 115.700 0.063 0.000 2.428 424 S HA 0.047 4.517 4.470 -0.000 0.000 0.230 424 S C 2.076 176.707 174.600 0.052 0.000 1.014 424 S CA 0.733 58.965 58.200 0.053 0.000 0.957 424 S CB -0.069 63.160 63.200 0.050 0.000 0.784 424 S HN 0.249 nan 8.310 nan 0.000 0.499 425 A N 1.667 124.521 122.820 0.056 0.000 2.251 425 A HA 0.293 4.613 4.320 -0.000 0.000 0.209 425 A C 0.846 178.493 177.584 0.103 0.000 1.187 425 A CA 0.211 52.286 52.037 0.063 0.000 0.823 425 A CB -0.913 18.108 19.000 0.035 0.000 0.846 425 A HN 0.731 nan 8.150 nan 0.000 0.486 426 N N -1.854 116.913 118.700 0.113 0.000 2.726 426 N HA -0.210 4.530 4.740 -0.000 0.000 0.253 426 N C 0.266 175.882 175.510 0.177 0.000 1.059 426 N CA 0.409 53.528 53.050 0.115 0.000 0.701 426 N CB -1.003 37.526 38.487 0.071 0.000 0.899 426 N HN 0.345 nan 8.380 nan 0.000 0.548 427 F N 1.201 121.162 119.950 0.019 0.000 2.039 427 F HA -0.079 4.448 4.527 -0.000 0.000 0.294 427 F C 2.530 178.339 175.800 0.014 0.000 1.130 427 F CA 2.193 60.204 58.000 0.018 0.000 1.189 427 F CB -0.916 38.101 39.000 0.028 0.000 0.983 427 F HN 0.267 nan 8.300 nan 0.000 0.471 428 T N -0.554 113.982 114.554 -0.031 0.000 2.720 428 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 428 T C 1.879 176.506 174.700 -0.121 0.000 1.037 428 T CA 2.129 64.133 62.100 -0.159 0.000 1.144 428 T CB -0.877 67.963 68.868 -0.046 0.000 0.864 428 T HN 0.292 nan 8.240 nan 0.000 0.444 429 T N 1.984 116.511 114.554 -0.044 0.000 2.674 429 T HA -0.056 4.294 4.350 -0.000 0.000 0.265 429 T C 2.150 176.824 174.700 -0.043 0.000 1.039 429 T CA 0.892 62.975 62.100 -0.029 0.000 1.150 429 T CB -0.209 68.659 68.868 0.001 0.000 0.864 429 T HN 0.327 nan 8.240 nan 0.000 0.427 430 R N 0.592 121.071 120.500 -0.034 0.000 2.091 430 R HA -0.048 4.292 4.340 -0.000 0.000 0.238 430 R C 2.717 178.965 176.300 -0.087 0.000 1.136 430 R CA 1.302 57.378 56.100 -0.039 0.000 0.959 430 R CB -0.266 30.037 30.300 0.006 0.000 0.856 430 R HN 0.303 nan 8.270 nan 0.000 0.437 431 R N 0.423 120.817 120.500 -0.176 0.000 2.081 431 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 431 R C 2.155 178.371 176.300 -0.139 0.000 1.131 431 R CA 1.583 57.539 56.100 -0.239 0.000 0.960 431 R CB -0.185 29.818 30.300 -0.495 0.000 0.856 431 R HN 0.220 nan 8.270 nan 0.000 0.436 432 A N 0.715 123.468 122.820 -0.111 0.000 1.898 432 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 432 A C 1.872 179.444 177.584 -0.021 0.000 1.181 432 A CA 1.471 53.472 52.037 -0.060 0.000 0.620 432 A CB -0.398 18.572 19.000 -0.049 0.000 0.819 432 A HN 0.473 nan 8.150 nan 0.000 0.442 433 E N -0.237 119.953 120.200 -0.015 0.000 2.118 433 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 433 E C 1.773 178.409 176.600 0.061 0.000 0.992 433 E CA 1.349 57.762 56.400 0.021 0.000 0.804 433 E CB -0.324 29.378 29.700 0.003 0.000 0.741 433 E HN 0.708 nan 8.360 nan 0.000 0.458 434 I N 0.817 121.397 120.570 0.016 0.000 2.226 434 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 434 I C 2.475 178.661 176.117 0.115 0.000 1.100 434 I CA 0.906 62.234 61.300 0.047 0.000 1.374 434 I CB -0.252 37.730 38.000 -0.031 0.000 1.057 434 I HN 0.109 nan 8.210 nan 0.000 0.413 435 A N 0.723 123.573 122.820 0.049 0.000 1.883 435 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 435 A C 2.547 180.167 177.584 0.059 0.000 1.186 435 A CA 1.998 54.058 52.037 0.038 0.000 0.624 435 A CB -0.958 18.042 19.000 -0.000 0.000 0.822 435 A HN 0.429 nan 8.150 nan 0.000 0.444 436 A N -1.662 121.199 122.820 0.068 0.000 1.865 436 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 436 A C 2.046 179.688 177.584 0.097 0.000 1.191 436 A CA 1.625 53.701 52.037 0.064 0.000 0.623 436 A CB -1.049 17.989 19.000 0.063 0.000 0.826 436 A HN 0.853 nan 8.150 nan 0.000 0.444 437 W N 1.247 122.529 121.300 -0.029 0.000 2.374 437 W HA -0.167 4.493 4.660 -0.000 0.000 0.288 437 W C 1.782 178.283 176.519 -0.030 0.000 1.218 437 W CA 1.767 59.096 57.345 -0.026 0.000 1.245 437 W CB -0.082 29.363 29.460 -0.025 0.000 1.126 437 W HN 0.362 nan 8.180 nan 0.000 0.545 438 N N -0.047 118.789 118.700 0.227 0.000 2.142 438 N HA -0.165 4.574 4.740 -0.000 0.000 0.186 438 N C 1.828 177.291 175.510 -0.080 0.000 1.023 438 N CA 2.109 55.211 53.050 0.086 0.000 0.852 438 N CB -1.044 37.513 38.487 0.117 0.000 0.998 438 N HN 0.196 nan 8.380 nan 0.000 0.424 439 S N -1.045 114.618 115.700 -0.061 0.000 2.555 439 S HA 0.004 4.473 4.470 -0.000 0.000 0.230 439 S C 1.612 176.131 174.600 -0.135 0.000 0.978 439 S CA 0.847 58.997 58.200 -0.082 0.000 0.934 439 S CB -0.352 62.819 63.200 -0.049 0.000 0.766 439 S HN 0.231 nan 8.310 nan 0.000 0.533 440 T N 1.616 116.038 114.554 -0.221 0.000 3.044 440 T HA 0.182 4.532 4.350 -0.000 0.000 0.255 440 T C 0.376 174.865 174.700 -0.351 0.000 1.073 440 T CA 0.292 62.224 62.100 -0.280 0.000 1.125 440 T CB -0.217 68.441 68.868 -0.350 0.000 0.908 440 T HN 0.432 nan 8.240 nan 0.000 0.480 441 N N 1.040 119.464 118.700 -0.460 0.000 2.443 441 N HA 0.517 5.256 4.740 -0.000 0.000 0.293 441 N C 0.730 176.101 175.510 -0.232 0.000 1.159 441 N CA -0.812 51.984 53.050 -0.423 0.000 0.904 441 N CB 1.163 39.230 38.487 -0.701 0.000 1.214 441 N HN 0.241 nan 8.380 nan 0.000 0.513 442 R N -1.677 118.724 120.500 -0.165 0.000 2.539 442 R HA 0.286 4.626 4.340 -0.000 0.000 0.342 442 R C -0.289 175.970 176.300 -0.069 0.000 0.941 442 R CA -0.193 55.848 56.100 -0.099 0.000 1.146 442 R CB -0.003 30.247 30.300 -0.083 0.000 1.541 442 R HN 0.370 nan 8.270 nan 0.000 0.525 443 T N 0.389 114.901 114.554 -0.070 0.000 2.958 443 T HA 0.384 4.734 4.350 -0.000 0.000 0.256 443 T C 0.187 174.884 174.700 -0.004 0.000 0.983 443 T CA 0.095 62.174 62.100 -0.034 0.000 0.924 443 T CB 0.426 69.275 68.868 -0.031 0.000 1.136 443 T HN -0.016 nan 8.240 nan 0.000 0.506 444 L N 0.943 122.166 121.223 0.000 0.000 2.354 444 L HA 0.883 5.223 4.340 -0.000 0.000 0.264 444 L C -0.910 176.069 176.870 0.182 0.000 1.008 444 L CA -1.242 53.670 54.840 0.119 0.000 0.819 444 L CB 2.054 44.270 42.059 0.261 0.000 1.339 444 L HN 0.050 nan 8.230 nan 0.000 0.420 445 A N 1.969 124.941 122.820 0.253 0.000 2.486 445 A HA 0.793 5.113 4.320 -0.000 0.000 0.300 445 A C -1.143 176.555 177.584 0.190 0.000 1.048 445 A CA -0.655 51.533 52.037 0.253 0.000 0.696 445 A CB 1.719 20.768 19.000 0.082 0.000 1.278 445 A HN 0.735 nan 8.150 nan 0.000 0.405 446 R N 0.357 120.955 120.500 0.163 0.000 2.604 446 R HA 0.665 5.005 4.340 -0.000 0.000 0.287 446 R C -0.007 176.271 176.300 -0.036 0.000 0.970 446 R CA -0.340 55.734 56.100 -0.043 0.000 0.946 446 R CB 2.287 32.453 30.300 -0.225 0.000 1.127 446 R HN 0.899 nan 8.270 nan 0.000 0.473 447 G N 2.082 110.843 108.800 -0.064 0.000 2.617 447 G HA2 0.597 4.557 3.960 -0.000 0.000 0.306 447 G HA3 0.597 4.557 3.960 -0.000 0.000 0.306 447 G C -1.475 173.408 174.900 -0.027 0.000 1.360 447 G CA -0.455 44.612 45.100 -0.056 0.000 0.983 447 G HN 0.493 nan 8.290 nan 0.000 0.496 448 I N 1.291 121.865 120.570 0.006 0.000 2.545 448 I HA 0.792 4.962 4.170 -0.000 0.000 0.292 448 I C -0.286 175.928 176.117 0.161 0.000 1.040 448 I CA -0.705 60.647 61.300 0.087 0.000 1.068 448 I CB 1.975 40.037 38.000 0.103 0.000 1.251 448 I HN 0.742 nan 8.210 nan 0.000 0.424 449 A N 7.034 129.976 122.820 0.203 0.000 2.574 449 A HA 0.686 5.005 4.320 -0.000 0.000 0.297 449 A C -2.064 175.617 177.584 0.161 0.000 1.062 449 A CA -0.537 51.633 52.037 0.222 0.000 0.686 449 A CB 1.669 20.765 19.000 0.160 0.000 1.285 449 A HN 0.752 nan 8.150 nan 0.000 0.403 450 L N 1.970 123.270 121.223 0.128 0.000 2.322 450 L HA 0.849 5.189 4.340 -0.000 0.000 0.281 450 L C -0.107 176.825 176.870 0.103 0.000 1.014 450 L CA -0.033 54.811 54.840 0.007 0.000 0.815 450 L CB 1.933 43.863 42.059 -0.215 0.000 1.247 450 L HN 0.911 nan 8.230 nan 0.000 0.421 451 S N 4.717 120.486 115.700 0.115 0.000 2.513 451 S HA 0.818 5.288 4.470 -0.000 0.000 0.299 451 S C -2.952 171.743 174.600 0.158 0.000 1.087 451 S CA -1.339 56.964 58.200 0.171 0.000 1.012 451 S CB 1.856 65.164 63.200 0.180 0.000 1.044 451 S HN 0.555 nan 8.310 nan 0.000 0.485 452 P HA 0.613 nan 4.420 nan 0.000 0.287 452 P C -1.227 176.129 177.300 0.094 0.000 1.279 452 P CA -0.842 62.323 63.100 0.109 0.000 0.867 452 P CB 1.530 33.303 31.700 0.122 0.000 1.127 453 V N 1.851 121.799 119.914 0.057 0.000 2.604 453 V HA 0.527 4.646 4.120 -0.000 0.000 0.305 453 V C 0.037 176.136 176.094 0.009 0.000 1.043 453 V CA -0.461 61.894 62.300 0.091 0.000 0.888 453 V CB 1.801 33.720 31.823 0.159 0.000 0.995 453 V HN 0.572 nan 8.190 nan 0.000 0.429 454 K N 4.124 124.523 120.400 -0.002 0.000 2.690 454 K HA 0.489 4.809 4.320 -0.000 0.000 0.243 454 K C -2.140 174.436 176.600 -0.041 0.000 0.982 454 K CA -0.395 55.775 56.287 -0.196 0.000 0.955 454 K CB 1.247 33.610 32.500 -0.229 0.000 1.185 454 K HN 0.580 nan 8.250 nan 0.000 0.467 455 F N 2.460 122.306 119.950 -0.175 0.000 2.477 455 F HA 0.522 5.049 4.527 -0.000 0.000 0.335 455 F C 0.325 176.024 175.800 -0.167 0.000 1.130 455 F CA -0.457 57.523 58.000 -0.033 0.000 0.948 455 F CB 1.677 40.635 39.000 -0.070 0.000 1.154 455 F HN 0.606 nan 8.300 nan 0.000 0.439 456 G N 6.383 114.953 108.800 -0.384 0.000 2.390 456 G HA2 0.470 4.430 3.960 -0.000 0.000 0.270 456 G HA3 0.470 4.430 3.960 -0.000 0.000 0.270 456 G C -0.930 173.393 174.900 -0.962 0.000 1.211 456 G CA -0.492 43.982 45.100 -1.043 0.000 0.842 456 G HN 0.471 nan 8.290 nan 0.000 0.519 457 I N 1.280 121.421 120.570 -0.715 0.000 2.355 457 I HA 0.585 4.755 4.170 -0.000 0.000 0.288 457 I C 0.228 176.251 176.117 -0.155 0.000 0.999 457 I CA -0.301 60.731 61.300 -0.447 0.000 1.163 457 I CB 0.351 37.889 38.000 -0.770 0.000 1.316 457 I HN 0.472 nan 8.210 nan 0.000 0.454 458 S N 4.413 120.091 115.700 -0.037 0.000 2.740 458 S HA 0.193 4.663 4.470 -0.000 0.000 0.276 458 S C -0.918 173.673 174.600 -0.015 0.000 0.811 458 S CA -0.899 57.320 58.200 0.032 0.000 1.076 458 S CB 0.160 63.421 63.200 0.101 0.000 1.350 458 S HN 0.289 nan 8.310 nan 0.000 0.471 459 F N 2.593 122.537 119.950 -0.010 0.000 2.506 459 F HA 0.165 4.692 4.527 -0.000 0.000 0.371 459 F C 2.273 178.073 175.800 -0.001 0.000 1.078 459 F CA 0.724 58.702 58.000 -0.038 0.000 1.195 459 F CB 0.802 39.754 39.000 -0.080 0.000 1.099 459 F HN 0.809 nan 8.300 nan 0.000 0.548 460 T N 0.810 115.477 114.554 0.187 0.000 2.833 460 T HA -0.096 4.253 4.350 -0.000 0.000 0.269 460 T C 0.995 175.949 174.700 0.424 0.000 1.054 460 T CA 0.517 62.720 62.100 0.171 0.000 1.135 460 T CB -0.085 68.917 68.868 0.223 0.000 0.869 460 T HN 0.243 nan 8.240 nan 0.000 0.466 461 L N 3.257 124.690 121.223 0.349 0.000 2.536 461 L HA 0.173 4.513 4.340 -0.000 0.000 0.282 461 L C 1.452 178.451 176.870 0.215 0.000 1.147 461 L CA 0.567 55.581 54.840 0.289 0.000 0.936 461 L CB -0.354 41.823 42.059 0.196 0.000 1.279 461 L HN 0.395 nan 8.230 nan 0.000 0.461 462 T N 1.681 116.405 114.554 0.283 0.000 2.759 462 T HA -0.192 4.158 4.350 -0.000 0.000 0.269 462 T C 1.722 176.497 174.700 0.125 0.000 1.042 462 T CA 1.707 63.932 62.100 0.207 0.000 1.140 462 T CB -0.233 68.770 68.868 0.224 0.000 0.864 462 T HN 0.655 nan 8.240 nan 0.000 0.455 463 H N 1.093 120.181 119.070 0.030 0.000 2.567 463 H HA 0.135 4.691 4.556 -0.000 0.000 0.276 463 H C 1.651 176.936 175.328 -0.072 0.000 1.016 463 H CA 0.475 56.518 56.048 -0.008 0.000 1.186 463 H CB -0.700 29.061 29.762 -0.002 0.000 1.351 463 H HN 0.355 nan 8.280 nan 0.000 0.605 464 L N 0.540 121.414 121.223 -0.581 0.000 2.591 464 L HA 0.041 4.381 4.340 -0.000 0.000 0.228 464 L C 0.474 177.005 176.870 -0.565 0.000 1.133 464 L CA 0.042 54.418 54.840 -0.773 0.000 0.880 464 L CB -0.191 41.152 42.059 -1.193 0.000 1.033 464 L HN 0.135 nan 8.230 nan 0.000 0.450 465 N N 2.886 121.489 118.700 -0.162 0.000 3.178 465 N HA 0.073 4.813 4.740 -0.000 0.000 0.300 465 N C -0.415 175.058 175.510 -0.062 0.000 1.242 465 N CA 0.168 53.237 53.050 0.032 0.000 1.192 465 N CB 0.346 38.897 38.487 0.107 0.000 1.463 465 N HN 0.526 nan 8.380 nan 0.000 0.539 466 Q N -0.743 118.995 119.800 -0.104 0.000 2.418 466 Q HA 0.834 5.174 4.340 -0.000 0.000 0.282 466 Q C -1.814 174.109 176.000 -0.129 0.000 1.044 466 Q CA -1.241 54.450 55.803 -0.187 0.000 0.813 466 Q CB 2.154 30.829 28.738 -0.105 0.000 1.428 466 Q HN 0.109 nan 8.270 nan 0.000 0.402 467 A N 0.527 123.211 122.820 -0.227 0.000 2.606 467 A HA 0.976 5.296 4.320 -0.000 0.000 0.293 467 A C -0.977 176.582 177.584 -0.041 0.000 1.082 467 A CA -0.199 51.803 52.037 -0.058 0.000 0.685 467 A CB 1.999 21.010 19.000 0.019 0.000 1.284 467 A HN 1.003 nan 8.150 nan 0.000 0.408 468 G N -1.021 107.850 108.800 0.118 0.000 2.660 468 G HA2 0.903 4.863 3.960 -0.000 0.000 0.294 468 G HA3 0.903 4.863 3.960 -0.000 0.000 0.294 468 G C -0.796 174.205 174.900 0.169 0.000 1.369 468 G CA 0.078 45.305 45.100 0.211 0.000 0.912 468 G HN 2.014 nan 8.290 nan 0.000 0.479 469 A N -0.364 122.551 122.820 0.158 0.000 2.587 469 A HA 0.825 5.145 4.320 -0.000 0.000 0.293 469 A C -1.918 175.724 177.584 0.096 0.000 1.087 469 A CA -0.622 51.495 52.037 0.132 0.000 0.692 469 A CB 2.098 21.161 19.000 0.106 0.000 1.291 469 A HN 1.749 nan 8.150 nan 0.000 0.407 470 L N 1.519 122.786 121.223 0.073 0.000 2.439 470 L HA 0.737 5.077 4.340 -0.000 0.000 0.270 470 L C -1.565 175.315 176.870 0.016 0.000 0.972 470 L CA -0.297 54.566 54.840 0.039 0.000 0.836 470 L CB 1.976 44.055 42.059 0.033 0.000 1.255 470 L HN 0.511 nan 8.230 nan 0.000 0.404 471 V N 4.369 124.279 119.914 -0.007 0.000 2.513 471 V HA 0.633 4.753 4.120 -0.000 0.000 0.299 471 V C -0.651 175.390 176.094 -0.088 0.000 1.035 471 V CA -0.610 61.668 62.300 -0.038 0.000 0.889 471 V CB 1.674 33.479 31.823 -0.030 0.000 0.988 471 V HN 0.701 nan 8.190 nan 0.000 0.440 472 Q N 4.553 124.262 119.800 -0.152 0.000 2.330 472 Q HA 0.636 4.976 4.340 -0.000 0.000 0.269 472 Q C -1.061 174.693 176.000 -0.410 0.000 1.022 472 Q CA -0.319 55.294 55.803 -0.316 0.000 0.796 472 Q CB 2.960 31.442 28.738 -0.426 0.000 1.271 472 Q HN 0.691 nan 8.270 nan 0.000 0.450 473 I N 2.680 123.017 120.570 -0.388 0.000 2.389 473 I HA 0.381 4.551 4.170 -0.000 0.000 0.288 473 I C -0.505 175.398 176.117 -0.357 0.000 0.999 473 I CA -0.920 60.209 61.300 -0.285 0.000 1.129 473 I CB 0.892 38.855 38.000 -0.061 0.000 1.288 473 I HN 0.477 nan 8.210 nan 0.000 0.444 474 Y N 2.330 122.629 120.300 -0.003 0.000 2.408 474 Y HA 0.161 4.711 4.550 -0.000 0.000 0.324 474 Y C 1.996 177.852 175.900 -0.073 0.000 1.302 474 Y CA -0.568 57.501 58.100 -0.052 0.000 1.384 474 Y CB 0.930 39.359 38.460 -0.051 0.000 1.367 474 Y HN 0.631 nan 8.280 nan 0.000 0.525 475 T N -3.471 111.103 114.554 0.034 0.000 3.035 475 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 475 T C 0.978 175.668 174.700 -0.016 0.000 1.109 475 T CA 1.177 63.223 62.100 -0.090 0.000 1.119 475 T CB -0.293 68.391 68.868 -0.307 0.000 0.900 475 T HN 0.766 nan 8.240 nan 0.000 0.503 476 D N 1.305 121.726 120.400 0.035 0.000 2.355 476 D HA 0.146 4.786 4.640 -0.000 0.000 0.218 476 D C 1.664 178.022 176.300 0.098 0.000 1.004 476 D CA 0.728 54.758 54.000 0.049 0.000 0.880 476 D CB -0.711 40.109 40.800 0.034 0.000 0.911 476 D HN 0.603 nan 8.370 nan 0.000 0.528 477 G N 0.326 109.205 108.800 0.131 0.000 2.157 477 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.239 477 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.239 477 G C 0.307 175.345 174.900 0.232 0.000 0.982 477 G CA 0.394 45.628 45.100 0.222 0.000 0.650 477 G HN 0.793 nan 8.290 nan 0.000 0.527 478 S N -1.100 114.706 115.700 0.177 0.000 2.652 478 S HA 0.809 5.278 4.470 -0.000 0.000 0.270 478 S C -0.096 174.585 174.600 0.135 0.000 1.243 478 S CA -0.324 57.966 58.200 0.149 0.000 0.999 478 S CB 2.839 66.128 63.200 0.148 0.000 0.973 478 S HN 1.059 nan 8.310 nan 0.000 0.544 479 V N 0.932 120.890 119.914 0.074 0.000 2.709 479 V HA 0.755 4.874 4.120 -0.000 0.000 0.308 479 V C -0.116 175.982 176.094 0.006 0.000 1.062 479 V CA -0.613 61.685 62.300 -0.004 0.000 0.901 479 V CB 1.652 33.463 31.823 -0.020 0.000 1.003 479 V HN 1.240 nan 8.190 nan 0.000 0.425 480 A N 4.848 127.642 122.820 -0.043 0.000 2.288 480 A HA 0.859 5.178 4.320 -0.000 0.000 0.320 480 A C -1.121 176.443 177.584 -0.033 0.000 1.217 480 A CA -0.420 51.618 52.037 0.002 0.000 0.840 480 A CB 1.059 20.108 19.000 0.082 0.000 1.179 480 A HN 0.819 nan 8.150 nan 0.000 0.504 481 L N 2.909 124.120 121.223 -0.020 0.000 2.322 481 L HA 0.630 4.970 4.340 -0.000 0.000 0.281 481 L C -0.667 176.214 176.870 0.019 0.000 1.014 481 L CA -0.219 54.620 54.840 -0.001 0.000 0.815 481 L CB 1.466 43.525 42.059 -0.000 0.000 1.247 481 L HN 0.737 nan 8.230 nan 0.000 0.421 482 N N 2.508 121.242 118.700 0.056 0.000 2.336 482 N HA 0.447 5.187 4.740 -0.000 0.000 0.290 482 N C -1.653 173.939 175.510 0.136 0.000 1.058 482 N CA -0.348 52.733 53.050 0.051 0.000 0.865 482 N CB 1.588 40.080 38.487 0.009 0.000 1.581 482 N HN 0.975 nan 8.380 nan 0.000 0.480 483 H N -1.092 118.000 119.070 0.036 0.000 2.960 483 H HA 0.504 5.060 4.556 -0.000 0.000 0.338 483 H C 0.782 176.147 175.328 0.061 0.000 1.261 483 H CA -0.847 55.231 56.048 0.051 0.000 1.136 483 H CB 0.677 30.469 29.762 0.049 0.000 1.875 483 H HN 0.375 nan 8.280 nan 0.000 0.550 484 G N -0.367 108.499 108.800 0.111 0.000 2.650 484 G HA2 0.171 4.130 3.960 -0.000 0.000 0.214 484 G HA3 0.171 4.130 3.960 -0.000 0.000 0.214 484 G C 0.662 175.569 174.900 0.011 0.000 1.136 484 G CA 0.125 45.248 45.100 0.040 0.000 0.789 484 G HN 0.860 nan 8.290 nan 0.000 0.536 485 G N 0.229 109.089 108.800 0.101 0.000 2.467 485 G HA2 0.439 4.399 3.960 -0.000 0.000 0.257 485 G HA3 0.439 4.399 3.960 -0.000 0.000 0.257 485 G C 0.125 174.975 174.900 -0.084 0.000 1.227 485 G CA 0.332 45.487 45.100 0.090 0.000 0.835 485 G HN 0.337 nan 8.290 nan 0.000 0.556 486 T N -1.014 113.490 114.554 -0.082 0.000 2.859 486 T HA 0.508 4.857 4.350 -0.000 0.000 0.281 486 T C -0.286 174.289 174.700 -0.207 0.000 1.005 486 T CA -0.810 61.214 62.100 -0.126 0.000 1.025 486 T CB 2.214 71.036 68.868 -0.076 0.000 0.977 486 T HN 0.425 nan 8.240 nan 0.000 0.458 487 E N 3.068 123.098 120.200 -0.284 0.000 2.052 487 E HA 0.290 4.639 4.350 -0.000 0.000 0.283 487 E C 0.786 177.330 176.600 -0.092 0.000 1.071 487 E CA -0.535 55.706 56.400 -0.264 0.000 0.851 487 E CB 0.414 29.926 29.700 -0.314 0.000 1.066 487 E HN 0.768 nan 8.360 nan 0.000 0.396 488 M N 2.135 121.672 119.600 -0.106 0.000 2.333 488 M HA 0.456 4.936 4.480 -0.000 0.000 0.257 488 M C 0.938 177.158 176.300 -0.133 0.000 1.078 488 M CA 0.370 55.590 55.300 -0.133 0.000 1.005 488 M CB 0.740 33.208 32.600 -0.221 0.000 1.444 488 M HN 0.523 nan 8.290 nan 0.000 0.496 489 G N 1.531 110.316 108.800 -0.025 0.000 2.296 489 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.188 489 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.188 489 G C 0.856 175.792 174.900 0.061 0.000 1.000 489 G CA 0.246 45.352 45.100 0.010 0.000 0.672 489 G HN 0.570 nan 8.290 nan 0.000 0.483 490 Q N 1.642 121.445 119.800 0.005 0.000 2.500 490 Q HA 0.263 4.603 4.340 -0.000 0.000 0.213 490 Q C 1.610 177.645 176.000 0.058 0.000 0.974 490 Q CA 1.544 57.352 55.803 0.008 0.000 0.918 490 Q CB -0.526 28.182 28.738 -0.050 0.000 0.980 490 Q HN 1.924 nan 8.270 nan 0.000 0.505 491 G N 1.729 110.605 108.800 0.127 0.000 2.182 491 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.248 491 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.248 491 G C 0.330 175.190 174.900 -0.067 0.000 1.042 491 G CA 0.386 45.509 45.100 0.038 0.000 0.775 491 G HN 0.419 nan 8.290 nan 0.000 0.501 492 L N -0.236 120.937 121.223 -0.083 0.000 2.083 492 L HA 0.043 4.382 4.340 -0.000 0.000 0.209 492 L C 2.481 179.338 176.870 -0.022 0.000 1.083 492 L CA 2.792 57.585 54.840 -0.078 0.000 0.752 492 L CB -0.374 41.625 42.059 -0.100 0.000 0.899 492 L HN 0.411 nan 8.230 nan 0.000 0.433 493 H N -0.248 118.796 119.070 -0.044 0.000 2.299 493 H HA 0.020 4.576 4.556 -0.000 0.000 0.302 493 H C 2.213 177.480 175.328 -0.102 0.000 1.078 493 H CA 1.306 57.338 56.048 -0.025 0.000 1.323 493 H CB -0.752 28.976 29.762 -0.055 0.000 1.381 493 H HN 0.467 nan 8.280 nan 0.000 0.498 494 A N 1.585 124.377 122.820 -0.048 0.000 1.873 494 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 494 A C 2.374 179.916 177.584 -0.070 0.000 1.193 494 A CA 2.210 54.194 52.037 -0.087 0.000 0.629 494 A CB -0.518 18.407 19.000 -0.125 0.000 0.826 494 A HN 0.399 nan 8.150 nan 0.000 0.447 495 K N -1.279 119.080 120.400 -0.070 0.000 2.034 495 K HA -0.204 4.116 4.320 -0.000 0.000 0.214 495 K C 2.143 178.687 176.600 -0.092 0.000 1.051 495 K CA 1.838 58.078 56.287 -0.079 0.000 0.931 495 K CB -0.350 32.108 32.500 -0.070 0.000 0.715 495 K HN 0.388 nan 8.250 nan 0.000 0.446 496 M N 0.527 120.067 119.600 -0.100 0.000 2.149 496 M HA -0.135 4.345 4.480 -0.000 0.000 0.261 496 M C 2.322 178.563 176.300 -0.098 0.000 1.064 496 M CA 1.282 56.491 55.300 -0.151 0.000 1.102 496 M CB -0.846 31.568 32.600 -0.309 0.000 1.369 496 M HN -0.021 nan 8.290 nan 0.000 0.408 497 V N 0.303 120.175 119.914 -0.069 0.000 2.261 497 V HA -0.289 3.830 4.120 -0.000 0.000 0.246 497 V C 2.423 178.467 176.094 -0.084 0.000 1.047 497 V CA 1.691 63.950 62.300 -0.069 0.000 1.015 497 V CB -0.763 31.021 31.823 -0.065 0.000 0.642 497 V HN 0.497 nan 8.190 nan 0.000 0.446 498 Q N -0.524 119.217 119.800 -0.098 0.000 2.077 498 Q HA -0.218 4.121 4.340 -0.000 0.000 0.206 498 Q C 2.297 178.210 176.000 -0.146 0.000 0.989 498 Q CA 2.224 57.951 55.803 -0.127 0.000 0.853 498 Q CB -0.422 28.229 28.738 -0.144 0.000 0.907 498 Q HN 0.576 nan 8.270 nan 0.000 0.418 499 V N 0.902 120.747 119.914 -0.116 0.000 2.287 499 V HA -0.333 3.787 4.120 -0.000 0.000 0.248 499 V C 2.275 178.366 176.094 -0.006 0.000 1.053 499 V CA 1.966 64.243 62.300 -0.038 0.000 1.027 499 V CB -1.161 30.673 31.823 0.020 0.000 0.646 499 V HN 0.444 nan 8.190 nan 0.000 0.447 500 A N 0.023 122.818 122.820 -0.040 0.000 1.877 500 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 500 A C 2.440 179.985 177.584 -0.064 0.000 1.186 500 A CA 2.186 54.197 52.037 -0.043 0.000 0.620 500 A CB -0.909 18.059 19.000 -0.052 0.000 0.822 500 A HN 0.599 nan 8.150 nan 0.000 0.443 501 A N -0.227 122.541 122.820 -0.086 0.000 1.933 501 A HA 0.140 4.460 4.320 -0.000 0.000 0.218 501 A C 2.481 180.009 177.584 -0.093 0.000 1.175 501 A CA 2.172 54.144 52.037 -0.108 0.000 0.628 501 A CB -0.948 17.987 19.000 -0.108 0.000 0.814 501 A HN 1.026 nan 8.150 nan 0.000 0.444 502 A N -0.593 122.179 122.820 -0.080 0.000 1.855 502 A HA 0.008 4.328 4.320 -0.000 0.000 0.215 502 A C 2.134 179.738 177.584 0.034 0.000 1.191 502 A CA 1.743 53.751 52.037 -0.048 0.000 0.613 502 A CB -0.947 17.971 19.000 -0.137 0.000 0.829 502 A HN 0.457 nan 8.150 nan 0.000 0.442 503 V N -0.068 119.882 119.914 0.060 0.000 2.759 503 V HA -0.126 3.993 4.120 -0.000 0.000 0.256 503 V C 2.139 178.221 176.094 -0.020 0.000 1.080 503 V CA 1.415 63.748 62.300 0.055 0.000 1.101 503 V CB -0.543 31.311 31.823 0.052 0.000 0.698 503 V HN 0.514 nan 8.190 nan 0.000 0.477 504 L N -0.148 121.040 121.223 -0.059 0.000 2.556 504 L HA 0.351 4.691 4.340 -0.000 0.000 0.226 504 L C 1.628 178.444 176.870 -0.090 0.000 1.089 504 L CA 0.800 55.568 54.840 -0.119 0.000 0.864 504 L CB -0.110 41.841 42.059 -0.180 0.000 1.067 504 L HN 0.519 nan 8.230 nan 0.000 0.477 505 G N 2.232 111.005 108.800 -0.045 0.000 2.225 505 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.264 505 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.264 505 G C 0.031 174.877 174.900 -0.090 0.000 1.060 505 G CA 0.646 45.754 45.100 0.012 0.000 0.833 505 G HN 0.469 nan 8.290 nan 0.000 0.498 506 I N -4.002 116.449 120.570 -0.199 0.000 3.108 506 I HA 0.762 4.932 4.170 -0.000 0.000 0.312 506 I C -0.284 175.744 176.117 -0.148 0.000 1.095 506 I CA -1.638 59.513 61.300 -0.248 0.000 1.000 506 I CB 1.782 39.490 38.000 -0.487 0.000 1.229 506 I HN -0.058 nan 8.210 nan 0.000 0.454 507 D N 3.593 123.925 120.400 -0.113 0.000 2.425 507 D HA 0.193 4.833 4.640 -0.000 0.000 0.247 507 D C -1.641 174.608 176.300 -0.086 0.000 1.147 507 D CA -1.929 52.024 54.000 -0.079 0.000 0.879 507 D CB 1.402 42.171 40.800 -0.051 0.000 1.179 507 D HN 0.295 nan 8.370 nan 0.000 0.456 508 P HA -0.196 nan 4.420 nan 0.000 0.218 508 P C 1.369 178.633 177.300 -0.061 0.000 1.147 508 P CA 0.781 63.837 63.100 -0.074 0.000 0.827 508 P CB 0.173 31.833 31.700 -0.068 0.000 0.778 509 V N -0.488 119.396 119.914 -0.050 0.000 2.759 509 V HA -0.187 3.933 4.120 -0.000 0.000 0.256 509 V C 2.309 178.384 176.094 -0.031 0.000 1.080 509 V CA 1.480 63.758 62.300 -0.037 0.000 1.101 509 V CB -1.124 30.683 31.823 -0.027 0.000 0.698 509 V HN 0.176 nan 8.190 nan 0.000 0.477 510 Q N -0.160 119.615 119.800 -0.043 0.000 2.432 510 Q HA 0.122 4.462 4.340 -0.000 0.000 0.205 510 Q C 0.468 176.450 176.000 -0.029 0.000 0.945 510 Q CA 0.424 56.208 55.803 -0.032 0.000 0.924 510 Q CB 0.481 29.181 28.738 -0.063 0.000 1.016 510 Q HN 0.534 nan 8.270 nan 0.000 0.503 511 V N 1.948 121.835 119.914 -0.046 0.000 2.347 511 V HA 0.327 4.447 4.120 -0.000 0.000 0.280 511 V C -0.120 175.950 176.094 -0.039 0.000 1.021 511 V CA -0.811 61.462 62.300 -0.044 0.000 0.847 511 V CB 1.491 33.277 31.823 -0.062 0.000 0.990 511 V HN 0.028 nan 8.190 nan 0.000 0.444 512 R N 4.464 124.949 120.500 -0.026 0.000 2.393 512 R HA 0.602 4.942 4.340 -0.000 0.000 0.310 512 R C -0.887 175.378 176.300 -0.058 0.000 0.968 512 R CA -0.542 55.537 56.100 -0.035 0.000 0.867 512 R CB 1.323 31.620 30.300 -0.006 0.000 1.124 512 R HN 0.643 nan 8.270 nan 0.000 0.450 513 I N 4.192 124.696 120.570 -0.109 0.000 2.416 513 I HA 0.249 4.419 4.170 -0.000 0.000 0.288 513 I C -0.352 175.656 176.117 -0.181 0.000 1.051 513 I CA 0.548 61.733 61.300 -0.193 0.000 1.375 513 I CB 1.160 38.927 38.000 -0.388 0.000 1.407 513 I HN 0.880 nan 8.210 nan 0.000 0.516 514 T N 4.746 119.210 114.554 -0.150 0.000 2.929 514 T HA 0.834 5.184 4.350 -0.000 0.000 0.284 514 T C 0.234 174.851 174.700 -0.139 0.000 1.014 514 T CA -0.607 61.429 62.100 -0.106 0.000 1.051 514 T CB 1.257 70.099 68.868 -0.044 0.000 1.028 514 T HN 0.860 nan 8.240 nan 0.000 0.485 515 A N 2.082 124.856 122.820 -0.077 0.000 2.448 515 A HA 0.481 4.801 4.320 -0.000 0.000 0.239 515 A C 0.865 178.425 177.584 -0.040 0.000 1.080 515 A CA -0.540 51.474 52.037 -0.037 0.000 0.779 515 A CB -0.660 18.339 19.000 -0.001 0.000 1.026 515 A HN 0.944 nan 8.150 nan 0.000 0.499 516 T N 1.822 116.362 114.554 -0.023 0.000 2.888 516 T HA 0.339 4.689 4.350 -0.000 0.000 0.301 516 T C -0.423 174.266 174.700 -0.018 0.000 1.001 516 T CA 0.352 62.423 62.100 -0.047 0.000 1.147 516 T CB 0.245 69.084 68.868 -0.048 0.000 0.931 516 T HN 0.579 nan 8.240 nan 0.000 0.541 517 D N 1.789 122.178 120.400 -0.018 0.000 2.616 517 D HA 0.162 4.802 4.640 -0.000 0.000 0.238 517 D C 1.234 177.532 176.300 -0.003 0.000 1.354 517 D CA -0.477 53.518 54.000 -0.008 0.000 0.970 517 D CB 1.494 42.293 40.800 -0.002 0.000 1.369 517 D HN 0.544 nan 8.370 nan 0.000 0.585 518 T N -0.434 114.116 114.554 -0.007 0.000 3.025 518 T HA -0.140 4.210 4.350 -0.000 0.000 0.270 518 T C 1.426 176.133 174.700 0.013 0.000 1.126 518 T CA 1.385 63.486 62.100 0.001 0.000 1.105 518 T CB -0.090 68.768 68.868 -0.017 0.000 0.884 518 T HN 0.230 nan 8.240 nan 0.000 0.522 519 S N -0.160 115.545 115.700 0.009 0.000 2.556 519 S HA 0.302 4.771 4.470 -0.000 0.000 0.216 519 S C 1.590 176.201 174.600 0.020 0.000 0.970 519 S CA -0.515 57.695 58.200 0.017 0.000 0.912 519 S CB 0.044 63.249 63.200 0.008 0.000 0.790 519 S HN 0.557 nan 8.310 nan 0.000 0.504 520 K N 0.575 120.986 120.400 0.019 0.000 2.225 520 K HA 0.311 4.630 4.320 -0.000 0.000 0.204 520 K C -0.419 176.201 176.600 0.033 0.000 1.047 520 K CA 0.460 56.760 56.287 0.022 0.000 0.970 520 K CB 0.438 32.947 32.500 0.016 0.000 0.939 520 K HN 0.146 nan 8.250 nan 0.000 0.472 521 V N 4.675 124.611 119.914 0.036 0.000 2.350 521 V HA 0.286 4.406 4.120 -0.000 0.000 0.285 521 V C -2.518 173.610 176.094 0.058 0.000 1.014 521 V CA -1.823 60.512 62.300 0.058 0.000 0.831 521 V CB 1.199 33.063 31.823 0.069 0.000 1.000 521 V HN 0.140 nan 8.190 nan 0.000 0.433 522 P HA 0.431 nan 4.420 nan 0.000 0.283 522 P C -0.358 176.993 177.300 0.085 0.000 1.271 522 P CA -0.550 62.590 63.100 0.067 0.000 0.841 522 P CB 0.765 32.503 31.700 0.063 0.000 1.122 523 N N -1.899 116.851 118.700 0.085 0.000 2.740 523 N HA -0.115 4.625 4.740 -0.000 0.000 0.248 523 N C -0.085 175.481 175.510 0.093 0.000 1.062 523 N CA 1.210 54.319 53.050 0.098 0.000 0.704 523 N CB -2.384 36.167 38.487 0.107 0.000 0.968 523 N HN 0.681 nan 8.380 nan 0.000 0.547 524 T N -3.029 111.572 114.554 0.078 0.000 2.909 524 T HA 0.561 4.911 4.350 -0.000 0.000 0.289 524 T C 0.708 175.393 174.700 -0.025 0.000 1.005 524 T CA -0.575 61.548 62.100 0.037 0.000 1.084 524 T CB 1.850 70.737 68.868 0.032 0.000 0.975 524 T HN 0.102 nan 8.240 nan 0.000 0.509 525 S N 1.285 116.881 115.700 -0.173 0.000 2.632 525 S HA 0.601 5.071 4.470 -0.000 0.000 0.267 525 S C 0.809 175.042 174.600 -0.612 0.000 1.276 525 S CA -0.688 57.255 58.200 -0.429 0.000 0.998 525 S CB 0.459 63.275 63.200 -0.639 0.000 0.953 525 S HN 1.150 nan 8.310 nan 0.000 0.547 526 A N 1.353 123.580 122.820 -0.988 0.000 2.520 526 A HA 0.299 4.619 4.320 -0.000 0.000 0.235 526 A C 0.492 177.995 177.584 -0.135 0.000 1.065 526 A CA -0.127 51.502 52.037 -0.681 0.000 0.764 526 A CB -0.354 18.430 19.000 -0.359 0.000 1.002 526 A HN 0.682 nan 8.150 nan 0.000 0.502 527 T N 2.192 116.688 114.554 -0.097 0.000 2.978 527 T HA 0.492 4.842 4.350 -0.000 0.000 0.278 527 T C 0.326 174.999 174.700 -0.044 0.000 0.945 527 T CA 0.912 62.991 62.100 -0.035 0.000 1.070 527 T CB -0.688 68.148 68.868 -0.054 0.000 0.948 527 T HN 1.155 nan 8.240 nan 0.000 0.617 528 A N 2.014 124.811 122.820 -0.037 0.000 2.529 528 A HA 0.885 5.205 4.320 -0.000 0.000 0.296 528 A C 0.670 177.999 177.584 -0.426 0.000 1.205 528 A CA -0.334 51.593 52.037 -0.183 0.000 0.671 528 A CB 0.298 19.209 19.000 -0.148 0.000 1.301 528 A HN 1.435 nan 8.150 nan 0.000 0.450 529 A N -0.973 121.534 122.820 -0.522 0.000 2.861 529 A HA 0.016 4.336 4.320 -0.000 0.000 0.261 529 A C 1.208 178.582 177.584 -0.351 0.000 1.351 529 A CA 1.799 53.494 52.037 -0.570 0.000 0.904 529 A CB -2.526 15.822 19.000 -1.085 0.000 1.076 529 A HN 2.487 nan 8.150 nan 0.000 0.729 530 S N -2.964 112.576 115.700 -0.266 0.000 3.146 530 S HA -0.310 4.160 4.470 -0.000 0.000 0.285 530 S C 0.969 175.486 174.600 -0.138 0.000 1.293 530 S CA 2.051 60.136 58.200 -0.192 0.000 1.137 530 S CB -2.364 60.704 63.200 -0.220 0.000 1.357 530 S HN 2.539 nan 8.310 nan 0.000 0.678 531 S N 0.092 115.695 115.700 -0.161 0.000 2.660 531 S HA 0.449 4.919 4.470 -0.000 0.000 0.227 531 S C 1.641 176.235 174.600 -0.009 0.000 0.948 531 S CA 0.347 58.504 58.200 -0.072 0.000 0.948 531 S CB 0.268 63.420 63.200 -0.081 0.000 0.779 531 S HN 0.721 nan 8.310 nan 0.000 0.487 532 G N 1.773 110.556 108.800 -0.029 0.000 2.402 532 G HA2 0.095 4.055 3.960 -0.000 0.000 0.216 532 G HA3 0.095 4.055 3.960 -0.000 0.000 0.216 532 G C 1.524 176.411 174.900 -0.023 0.000 1.162 532 G CA 0.539 45.636 45.100 -0.005 0.000 0.777 532 G HN 0.702 nan 8.290 nan 0.000 0.539 533 A N 1.073 123.868 122.820 -0.041 0.000 1.872 533 A HA 0.040 4.360 4.320 -0.000 0.000 0.214 533 A C 2.058 179.599 177.584 -0.071 0.000 1.187 533 A CA 1.984 53.985 52.037 -0.060 0.000 0.614 533 A CB -0.522 18.453 19.000 -0.042 0.000 0.826 533 A HN 0.255 nan 8.150 nan 0.000 0.442 534 D N -0.237 120.138 120.400 -0.043 0.000 2.127 534 D HA -0.210 4.430 4.640 -0.000 0.000 0.190 534 D C 2.051 178.235 176.300 -0.192 0.000 1.000 534 D CA 2.124 56.087 54.000 -0.062 0.000 0.839 534 D CB -0.241 40.582 40.800 0.038 0.000 0.955 534 D HN 0.504 nan 8.370 nan 0.000 0.446 535 M N -0.583 118.945 119.600 -0.121 0.000 2.299 535 M HA 0.020 4.500 4.480 -0.000 0.000 0.264 535 M C 1.762 177.970 176.300 -0.155 0.000 1.095 535 M CA 0.489 55.700 55.300 -0.148 0.000 1.165 535 M CB -0.071 32.605 32.600 0.127 0.000 1.349 535 M HN -0.070 nan 8.290 nan 0.000 0.446 536 N N 0.937 119.591 118.700 -0.077 0.000 2.166 536 N HA -0.088 4.652 4.740 -0.000 0.000 0.186 536 N C 1.832 177.246 175.510 -0.160 0.000 1.019 536 N CA 1.621 54.625 53.050 -0.076 0.000 0.856 536 N CB -0.553 37.916 38.487 -0.031 0.000 0.993 536 N HN 0.431 nan 8.380 nan 0.000 0.426 537 G N 2.103 110.796 108.800 -0.179 0.000 2.529 537 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.219 537 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.219 537 G C 1.554 176.356 174.900 -0.164 0.000 1.177 537 G CA 0.805 45.812 45.100 -0.155 0.000 0.773 537 G HN 0.153 nan 8.290 nan 0.000 0.573 538 M N 0.988 120.413 119.600 -0.292 0.000 2.117 538 M HA 0.034 4.513 4.480 -0.000 0.000 0.262 538 M C 3.066 179.271 176.300 -0.159 0.000 1.065 538 M CA 1.370 56.463 55.300 -0.345 0.000 1.114 538 M CB -1.258 30.814 32.600 -0.880 0.000 1.361 538 M HN 0.339 nan 8.290 nan 0.000 0.408 539 A N -0.213 122.540 122.820 -0.111 0.000 1.902 539 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 539 A C 2.455 180.044 177.584 0.009 0.000 1.181 539 A CA 1.673 53.712 52.037 0.003 0.000 0.623 539 A CB -0.956 18.059 19.000 0.025 0.000 0.818 539 A HN 0.291 nan 8.150 nan 0.000 0.443 540 V N 0.160 120.054 119.914 -0.032 0.000 2.295 540 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 540 V C 2.551 178.634 176.094 -0.018 0.000 1.049 540 V CA 2.477 64.761 62.300 -0.026 0.000 1.024 540 V CB -0.648 31.132 31.823 -0.073 0.000 0.648 540 V HN 0.735 nan 8.190 nan 0.000 0.447 541 K N 0.236 120.618 120.400 -0.030 0.000 2.044 541 K HA -0.298 4.022 4.320 -0.000 0.000 0.210 541 K C 1.930 178.519 176.600 -0.018 0.000 1.049 541 K CA 2.386 58.659 56.287 -0.024 0.000 0.927 541 K CB -0.451 32.011 32.500 -0.064 0.000 0.713 541 K HN 0.502 nan 8.250 nan 0.000 0.443 542 D N -0.282 120.115 120.400 -0.005 0.000 2.126 542 D HA -0.206 4.434 4.640 -0.000 0.000 0.190 542 D C 1.714 178.027 176.300 0.021 0.000 1.001 542 D CA 2.035 56.049 54.000 0.023 0.000 0.841 542 D CB -0.279 40.562 40.800 0.068 0.000 0.949 542 D HN 0.376 nan 8.370 nan 0.000 0.446 543 A N -0.478 122.357 122.820 0.026 0.000 1.883 543 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 543 A C 2.656 180.238 177.584 -0.005 0.000 1.186 543 A CA 1.749 53.796 52.037 0.018 0.000 0.624 543 A CB -1.066 17.949 19.000 0.024 0.000 0.822 543 A HN 0.525 nan 8.150 nan 0.000 0.444 544 C N -0.723 118.569 119.300 -0.013 0.000 2.440 544 C HA -0.053 4.407 4.460 -0.000 0.000 0.278 544 C C 2.618 177.580 174.990 -0.045 0.000 1.295 544 C CA 1.035 60.036 59.018 -0.029 0.000 1.738 544 C CB -1.276 26.449 27.740 -0.026 0.000 1.987 544 C HN 0.665 nan 8.230 nan 0.000 0.492 545 E N 0.299 120.479 120.200 -0.034 0.000 2.106 545 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 545 E C 2.096 178.674 176.600 -0.037 0.000 0.984 545 E CA 1.568 57.945 56.400 -0.039 0.000 0.806 545 E CB -0.229 29.456 29.700 -0.025 0.000 0.750 545 E HN 0.620 nan 8.360 nan 0.000 0.458 546 T N 1.553 116.094 114.554 -0.022 0.000 2.746 546 T HA -0.115 4.234 4.350 -0.000 0.000 0.267 546 T C 1.967 176.650 174.700 -0.030 0.000 1.039 546 T CA 0.789 62.880 62.100 -0.015 0.000 1.142 546 T CB -0.132 68.734 68.868 -0.002 0.000 0.866 546 T HN 0.082 nan 8.240 nan 0.000 0.444 547 L N 0.247 121.444 121.223 -0.043 0.000 2.027 547 L HA -0.015 4.325 4.340 -0.000 0.000 0.206 547 L C 2.986 179.796 176.870 -0.100 0.000 1.074 547 L CA 1.190 55.996 54.840 -0.056 0.000 0.745 547 L CB -0.459 41.572 42.059 -0.046 0.000 0.898 547 L HN 0.096 nan 8.230 nan 0.000 0.433 548 R N 0.195 120.599 120.500 -0.159 0.000 2.105 548 R HA -0.165 4.175 4.340 -0.000 0.000 0.239 548 R C 2.184 178.387 176.300 -0.162 0.000 1.135 548 R CA 1.516 57.420 56.100 -0.327 0.000 0.967 548 R CB -0.524 29.579 30.300 -0.329 0.000 0.861 548 R HN 0.471 nan 8.270 nan 0.000 0.442 549 G N 0.532 109.294 108.800 -0.063 0.000 2.433 549 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.216 549 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.216 549 G C 1.448 176.367 174.900 0.031 0.000 1.186 549 G CA 0.575 45.677 45.100 0.003 0.000 0.779 549 G HN 0.318 nan 8.290 nan 0.000 0.543 550 R N -0.217 120.290 120.500 0.012 0.000 2.091 550 R HA 0.044 4.384 4.340 -0.000 0.000 0.238 550 R C 2.669 179.018 176.300 0.082 0.000 1.136 550 R CA 1.037 57.154 56.100 0.029 0.000 0.959 550 R CB -0.498 29.797 30.300 -0.008 0.000 0.856 550 R HN 0.319 nan 8.270 nan 0.000 0.437 551 L N 0.027 121.297 121.223 0.078 0.000 2.027 551 L HA -0.147 4.193 4.340 -0.000 0.000 0.206 551 L C 2.709 179.787 176.870 0.346 0.000 1.074 551 L CA 1.212 56.176 54.840 0.206 0.000 0.745 551 L CB -0.568 41.593 42.059 0.171 0.000 0.898 551 L HN 0.259 nan 8.230 nan 0.000 0.433 552 A N 0.313 123.332 122.820 0.331 0.000 1.865 552 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 552 A C 2.398 180.075 177.584 0.155 0.000 1.191 552 A CA 1.876 54.102 52.037 0.314 0.000 0.623 552 A CB -1.442 17.744 19.000 0.310 0.000 0.826 552 A HN 0.447 nan 8.150 nan 0.000 0.444 553 G N -1.160 107.718 108.800 0.131 0.000 2.442 553 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.219 553 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.219 553 G C 1.454 176.409 174.900 0.092 0.000 1.141 553 G CA 1.285 46.438 45.100 0.089 0.000 0.763 553 G HN 0.569 nan 8.290 nan 0.000 0.554 554 F N 1.546 121.488 119.950 -0.013 0.000 2.102 554 F HA -0.080 4.447 4.527 0.000 0.000 0.298 554 F C 2.575 178.326 175.800 -0.081 0.000 1.105 554 F CA 1.584 59.555 58.000 -0.048 0.000 1.239 554 F CB -0.468 38.496 39.000 -0.059 0.000 0.991 554 F HN 0.003 nan 8.300 nan 0.000 0.474 555 V N 1.006 120.685 119.914 -0.392 0.000 2.427 555 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 555 V C 2.843 178.751 176.094 -0.310 0.000 1.051 555 V CA 1.624 63.603 62.300 -0.535 0.000 1.048 555 V CB -1.775 29.841 31.823 -0.346 0.000 0.666 555 V HN 0.526 nan 8.190 nan 0.000 0.456 556 A N 0.286 123.020 122.820 -0.143 0.000 1.883 556 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 556 A C 2.447 179.974 177.584 -0.094 0.000 1.186 556 A CA 2.381 54.373 52.037 -0.075 0.000 0.624 556 A CB -0.865 18.127 19.000 -0.014 0.000 0.822 556 A HN 0.569 nan 8.150 nan 0.000 0.444 557 A N -0.762 121.992 122.820 -0.110 0.000 1.855 557 A HA -0.155 4.165 4.320 -0.000 0.000 0.215 557 A C 2.293 179.789 177.584 -0.146 0.000 1.191 557 A CA 1.613 53.593 52.037 -0.095 0.000 0.613 557 A CB -0.582 18.384 19.000 -0.056 0.000 0.829 557 A HN 0.447 nan 8.150 nan 0.000 0.442 558 R N -0.316 120.014 120.500 -0.283 0.000 2.127 558 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 558 R C 0.527 176.709 176.300 -0.196 0.000 1.134 558 R CA 1.606 57.519 56.100 -0.312 0.000 0.975 558 R CB -0.060 29.863 30.300 -0.628 0.000 0.865 558 R HN 0.520 nan 8.270 nan 0.000 0.447 559 E N -1.019 119.080 120.200 -0.167 0.000 2.538 559 E HA 0.106 4.456 4.350 -0.000 0.000 0.207 559 E C 0.127 176.706 176.600 -0.035 0.000 1.002 559 E CA 0.388 56.750 56.400 -0.063 0.000 0.952 559 E CB 0.864 30.562 29.700 -0.004 0.000 1.031 559 E HN 0.432 nan 8.360 nan 0.000 0.476 560 G N 2.680 111.449 108.800 -0.051 0.000 2.296 560 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.263 560 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.263 560 G C 0.301 175.192 174.900 -0.015 0.000 0.887 560 G CA 0.610 45.692 45.100 -0.030 0.000 1.318 560 G HN 0.448 nan 8.290 nan 0.000 0.403 561 C N -0.857 118.434 119.300 -0.015 0.000 3.259 561 C HA 0.947 5.407 4.460 -0.000 0.000 0.344 561 C C 0.691 175.682 174.990 0.001 0.000 1.401 561 C CA -0.434 58.583 59.018 -0.002 0.000 1.219 561 C CB 1.158 28.901 27.740 0.006 0.000 1.521 561 C HN 2.346 nan 8.230 nan 0.000 0.455 562 A N 0.758 123.584 122.820 0.010 0.000 2.483 562 A HA 0.577 4.897 4.320 -0.000 0.000 0.238 562 A C 1.390 178.990 177.584 0.027 0.000 1.070 562 A CA 0.526 52.574 52.037 0.017 0.000 0.770 562 A CB -0.030 18.982 19.000 0.020 0.000 1.008 562 A HN 2.468 nan 8.150 nan 0.000 0.497 563 A N 1.935 124.777 122.820 0.036 0.000 1.930 563 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 563 A C 1.989 179.621 177.584 0.080 0.000 1.175 563 A CA 1.514 53.586 52.037 0.059 0.000 0.627 563 A CB -0.445 18.593 19.000 0.064 0.000 0.815 563 A HN 1.000 nan 8.150 nan 0.000 0.443 564 R N -0.274 120.264 120.500 0.064 0.000 2.377 564 R HA -0.053 4.287 4.340 -0.000 0.000 0.207 564 R C -0.175 176.166 176.300 0.068 0.000 1.075 564 R CA 1.545 57.686 56.100 0.068 0.000 1.035 564 R CB -0.439 29.891 30.300 0.049 0.000 0.857 564 R HN 0.247 nan 8.270 nan 0.000 0.475 565 D N 0.313 120.749 120.400 0.059 0.000 2.349 565 D HA 0.064 4.704 4.640 -0.000 0.000 0.214 565 D C -0.362 175.969 176.300 0.052 0.000 1.063 565 D CA 0.170 54.199 54.000 0.048 0.000 0.847 565 D CB 0.672 41.492 40.800 0.034 0.000 0.933 565 D HN 0.022 nan 8.370 nan 0.000 0.513 566 V N 2.598 122.556 119.914 0.074 0.000 2.339 566 V HA 0.208 4.327 4.120 -0.000 0.000 0.261 566 V C 0.501 176.628 176.094 0.056 0.000 1.058 566 V CA -0.623 61.702 62.300 0.042 0.000 0.897 566 V CB 0.282 32.140 31.823 0.059 0.000 1.052 566 V HN -0.022 nan 8.190 nan 0.000 0.480 567 I N 5.179 125.748 120.570 -0.003 0.000 2.416 567 I HA 0.305 4.475 4.170 -0.000 0.000 0.288 567 I C -0.355 175.725 176.117 -0.061 0.000 1.051 567 I CA 0.264 61.592 61.300 0.047 0.000 1.375 567 I CB 0.292 38.315 38.000 0.038 0.000 1.407 567 I HN 0.338 nan 8.210 nan 0.000 0.516 568 F N 4.604 124.629 119.950 0.125 0.000 2.411 568 F HA 0.492 5.019 4.527 -0.000 0.000 0.352 568 F C -0.058 175.802 175.800 0.100 0.000 1.123 568 F CA -0.450 57.643 58.000 0.155 0.000 1.044 568 F CB 1.282 40.396 39.000 0.190 0.000 1.135 568 F HN 0.426 nan 8.300 nan 0.000 0.461 569 D N 1.476 122.006 120.400 0.217 0.000 2.787 569 D HA 0.476 5.116 4.640 -0.000 0.000 0.215 569 D C -0.465 175.884 176.300 0.082 0.000 1.246 569 D CA 0.043 54.117 54.000 0.123 0.000 0.798 569 D CB 1.556 42.409 40.800 0.088 0.000 1.649 569 D HN 0.740 nan 8.370 nan 0.000 0.507 570 A N 2.384 125.230 122.820 0.043 0.000 2.745 570 A HA 0.226 4.545 4.320 -0.000 0.000 0.296 570 A C 1.561 179.165 177.584 0.034 0.000 1.500 570 A CA 1.943 53.993 52.037 0.022 0.000 0.766 570 A CB -2.217 16.794 19.000 0.019 0.000 1.030 570 A HN 2.099 nan 8.150 nan 0.000 0.489 571 G N -2.674 106.147 108.800 0.035 0.000 2.153 571 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.252 571 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.252 571 G C -0.134 174.872 174.900 0.176 0.000 0.994 571 G CA 0.939 46.081 45.100 0.070 0.000 0.698 571 G HN 1.429 nan 8.290 nan 0.000 0.521 572 Q N -0.649 119.255 119.800 0.173 0.000 2.375 572 Q HA 0.645 4.985 4.340 -0.000 0.000 0.271 572 Q C -0.434 175.659 176.000 0.155 0.000 1.074 572 Q CA -0.685 55.215 55.803 0.162 0.000 0.808 572 Q CB 2.828 31.615 28.738 0.081 0.000 1.327 572 Q HN 0.303 nan 8.270 nan 0.000 0.441 573 V N 1.990 121.983 119.914 0.132 0.000 2.417 573 V HA 0.430 4.550 4.120 -0.000 0.000 0.291 573 V C -0.381 175.777 176.094 0.107 0.000 1.024 573 V CA -0.678 61.583 62.300 -0.064 0.000 0.861 573 V CB 1.721 33.453 31.823 -0.152 0.000 0.985 573 V HN 0.638 nan 8.190 nan 0.000 0.436 574 Q N 2.586 122.379 119.800 -0.013 0.000 2.356 574 Q HA 0.858 5.198 4.340 -0.000 0.000 0.270 574 Q C -0.787 175.264 176.000 0.085 0.000 1.058 574 Q CA -0.624 55.204 55.803 0.043 0.000 0.802 574 Q CB 2.801 31.521 28.738 -0.029 0.000 1.303 574 Q HN 0.979 nan 8.270 nan 0.000 0.444 575 A N 0.722 123.637 122.820 0.158 0.000 2.594 575 A HA 0.560 4.880 4.320 -0.000 0.000 0.296 575 A C -0.392 177.252 177.584 0.099 0.000 1.061 575 A CA -0.521 51.598 52.037 0.137 0.000 0.689 575 A CB 1.340 20.442 19.000 0.171 0.000 1.280 575 A HN 0.661 nan 8.150 nan 0.000 0.406 576 S N 0.264 115.993 115.700 0.049 0.000 3.631 576 S HA -0.048 4.422 4.470 -0.000 0.000 0.366 576 S C 1.489 176.071 174.600 -0.030 0.000 0.993 576 S CA 1.838 60.051 58.200 0.022 0.000 1.167 576 S CB -1.551 61.681 63.200 0.054 0.000 0.909 576 S HN 2.827 nan 8.310 nan 0.000 0.478 577 G N -0.083 108.684 108.800 -0.056 0.000 2.233 577 G HA2 -0.335 3.624 3.960 -0.000 0.000 0.270 577 G HA3 -0.335 3.624 3.960 -0.000 0.000 0.270 577 G C -0.198 174.595 174.900 -0.178 0.000 1.011 577 G CA 1.099 46.142 45.100 -0.094 0.000 0.762 577 G HN 0.708 nan 8.290 nan 0.000 0.511 578 K N -0.052 120.180 120.400 -0.280 0.000 2.371 578 K HA 0.650 4.969 4.320 -0.000 0.000 0.251 578 K C -0.100 175.964 176.600 -0.894 0.000 0.934 578 K CA -0.181 55.746 56.287 -0.601 0.000 0.798 578 K CB 2.108 34.181 32.500 -0.712 0.000 1.204 578 K HN 0.381 nan 8.250 nan 0.000 0.427 579 S N 1.508 116.673 115.700 -0.892 0.000 2.513 579 S HA 0.630 5.100 4.470 -0.000 0.000 0.299 579 S C -0.907 173.249 174.600 -0.739 0.000 1.087 579 S CA -0.845 56.970 58.200 -0.641 0.000 1.012 579 S CB 1.061 64.097 63.200 -0.272 0.000 1.044 579 S HN 0.593 nan 8.310 nan 0.000 0.485 580 W N 0.753 122.035 121.300 -0.030 0.000 2.992 580 W HA 0.500 5.160 4.660 -0.000 0.000 0.342 580 W C 0.261 176.792 176.519 0.021 0.000 1.176 580 W CA -1.060 56.281 57.345 -0.006 0.000 1.118 580 W CB 1.735 31.187 29.460 -0.013 0.000 1.457 580 W HN 0.569 nan 8.180 nan 0.000 0.573 581 R N 0.531 121.201 120.500 0.283 0.000 2.615 581 R HA 0.109 4.449 4.340 -0.000 0.000 0.270 581 R C 1.141 177.604 176.300 0.271 0.000 1.081 581 R CA -0.421 55.820 56.100 0.235 0.000 1.154 581 R CB 0.598 31.006 30.300 0.180 0.000 1.063 581 R HN 0.422 nan 8.270 nan 0.000 0.519 582 F N 1.986 122.024 119.950 0.146 0.000 2.095 582 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 582 F C 2.124 178.007 175.800 0.138 0.000 1.104 582 F CA 2.187 60.286 58.000 0.166 0.000 1.232 582 F CB -0.272 38.826 39.000 0.163 0.000 0.987 582 F HN 0.682 nan 8.300 nan 0.000 0.475 583 A N -0.162 122.809 122.820 0.251 0.000 1.978 583 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 583 A C 2.108 179.718 177.584 0.044 0.000 1.170 583 A CA 2.034 54.149 52.037 0.131 0.000 0.636 583 A CB -0.848 18.241 19.000 0.149 0.000 0.810 583 A HN 0.600 nan 8.150 nan 0.000 0.448 584 E N -0.573 119.671 120.200 0.075 0.000 2.072 584 E HA -0.108 4.242 4.350 -0.000 0.000 0.190 584 E C 1.811 178.407 176.600 -0.007 0.000 0.982 584 E CA 0.874 57.313 56.400 0.065 0.000 0.803 584 E CB -0.167 29.622 29.700 0.148 0.000 0.755 584 E HN 0.524 nan 8.360 nan 0.000 0.453 585 I N 0.883 121.417 120.570 -0.061 0.000 2.315 585 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 585 I C 2.390 178.442 176.117 -0.107 0.000 1.117 585 I CA 0.867 62.107 61.300 -0.100 0.000 1.404 585 I CB -0.772 37.145 38.000 -0.138 0.000 1.071 585 I HN -0.003 nan 8.210 nan 0.000 0.419 586 V N 1.392 121.174 119.914 -0.220 0.000 2.261 586 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 586 V C 2.836 178.866 176.094 -0.108 0.000 1.047 586 V CA 1.920 64.091 62.300 -0.215 0.000 1.015 586 V CB -1.087 30.594 31.823 -0.236 0.000 0.642 586 V HN 0.445 nan 8.190 nan 0.000 0.446 587 A N -0.122 122.671 122.820 -0.044 0.000 1.940 587 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 587 A C 2.400 180.006 177.584 0.037 0.000 1.176 587 A CA 2.293 54.344 52.037 0.025 0.000 0.631 587 A CB -0.812 18.208 19.000 0.033 0.000 0.814 587 A HN 0.602 nan 8.150 nan 0.000 0.446 588 A N -0.268 122.548 122.820 -0.006 0.000 1.902 588 A HA 0.176 4.496 4.320 -0.000 0.000 0.217 588 A C 2.488 179.919 177.584 -0.256 0.000 1.181 588 A CA 2.042 54.087 52.037 0.014 0.000 0.623 588 A CB -0.958 18.140 19.000 0.163 0.000 0.818 588 A HN 1.081 nan 8.150 nan 0.000 0.443 589 A N -1.550 120.911 122.820 -0.599 0.000 1.969 589 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 589 A C 2.082 179.369 177.584 -0.496 0.000 1.169 589 A CA 1.549 52.915 52.037 -1.117 0.000 0.635 589 A CB -0.757 17.684 19.000 -0.931 0.000 0.810 589 A HN 0.773 nan 8.150 nan 0.000 0.445 590 Y N 0.322 120.426 120.300 -0.326 0.000 2.128 590 Y HA -0.238 4.312 4.550 -0.000 0.000 0.284 590 Y C 2.232 178.038 175.900 -0.157 0.000 1.154 590 Y CA 2.141 60.126 58.100 -0.192 0.000 1.149 590 Y CB -0.277 38.114 38.460 -0.115 0.000 0.976 590 Y HN 0.220 nan 8.280 nan 0.000 0.505 591 M N 0.089 119.497 119.600 -0.319 0.000 2.159 591 M HA -0.140 4.339 4.480 -0.000 0.000 0.263 591 M C 2.387 178.521 176.300 -0.277 0.000 1.063 591 M CA 1.599 56.706 55.300 -0.323 0.000 1.110 591 M CB -1.518 31.021 32.600 -0.102 0.000 1.374 591 M HN 0.500 nan 8.290 nan 0.000 0.411 592 A N -0.218 122.443 122.820 -0.265 0.000 2.121 592 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 592 A C 0.858 178.319 177.584 -0.204 0.000 1.154 592 A CA 0.446 52.368 52.037 -0.192 0.000 0.679 592 A CB -0.367 18.485 19.000 -0.246 0.000 0.795 592 A HN 0.593 nan 8.150 nan 0.000 0.458 593 R N -1.718 118.613 120.500 -0.282 0.000 3.125 593 R HA -0.125 4.215 4.340 -0.000 0.000 0.258 593 R C -1.407 174.796 176.300 -0.162 0.000 0.968 593 R CA 0.654 56.616 56.100 -0.229 0.000 0.656 593 R CB -2.113 28.080 30.300 -0.179 0.000 1.251 593 R HN 0.548 nan 8.270 nan 0.000 0.428 594 I N 0.012 120.474 120.570 -0.180 0.000 2.433 594 I HA 0.172 4.342 4.170 -0.000 0.000 0.292 594 I C 0.864 176.930 176.117 -0.086 0.000 1.001 594 I CA -0.643 60.578 61.300 -0.132 0.000 1.119 594 I CB 1.977 39.869 38.000 -0.181 0.000 1.289 594 I HN 0.114 nan 8.210 nan 0.000 0.438 595 S N 5.779 121.447 115.700 -0.054 0.000 2.596 595 S HA 0.156 4.625 4.470 -0.000 0.000 0.298 595 S C 0.542 175.117 174.600 -0.042 0.000 1.255 595 S CA 0.015 58.195 58.200 -0.034 0.000 1.083 595 S CB 0.048 63.233 63.200 -0.026 0.000 0.837 595 S HN 0.519 nan 8.310 nan 0.000 0.499 596 L N 4.404 125.605 121.223 -0.037 0.000 2.928 596 L HA 0.309 4.649 4.340 -0.000 0.000 0.246 596 L C 0.516 177.339 176.870 -0.079 0.000 1.239 596 L CA -0.202 54.602 54.840 -0.060 0.000 1.035 596 L CB 0.389 42.410 42.059 -0.064 0.000 1.360 596 L HN 0.513 nan 8.230 nan 0.000 0.529 597 S N 0.628 116.294 115.700 -0.056 0.000 2.532 597 S HA 0.862 5.332 4.470 -0.000 0.000 0.299 597 S C -0.715 173.866 174.600 -0.033 0.000 1.105 597 S CA -0.334 57.834 58.200 -0.054 0.000 1.018 597 S CB 1.621 64.798 63.200 -0.039 0.000 1.021 597 S HN 0.219 nan 8.310 nan 0.000 0.483 598 A N 2.874 125.677 122.820 -0.027 0.000 2.574 598 A HA 0.784 5.104 4.320 -0.000 0.000 0.297 598 A C -0.174 177.413 177.584 0.006 0.000 1.062 598 A CA -0.682 51.349 52.037 -0.010 0.000 0.686 598 A CB 1.305 20.298 19.000 -0.011 0.000 1.285 598 A HN 0.946 nan 8.150 nan 0.000 0.403 599 T N -0.750 113.817 114.554 0.022 0.000 2.944 599 T HA 0.825 5.175 4.350 -0.000 0.000 0.284 599 T C 0.250 174.992 174.700 0.070 0.000 1.010 599 T CA -0.129 61.999 62.100 0.047 0.000 1.025 599 T CB 1.797 70.695 68.868 0.049 0.000 1.079 599 T HN 1.824 nan 8.240 nan 0.000 0.516 600 G N 0.164 109.029 108.800 0.108 0.000 2.620 600 G HA2 0.636 4.596 3.960 -0.000 0.000 0.301 600 G HA3 0.636 4.596 3.960 -0.000 0.000 0.301 600 G C -2.124 172.921 174.900 0.242 0.000 1.347 600 G CA -0.800 44.383 45.100 0.138 0.000 0.971 600 G HN 0.732 nan 8.290 nan 0.000 0.488 601 F N 1.360 121.352 119.950 0.069 0.000 2.591 601 F HA 0.759 5.286 4.527 -0.000 0.000 0.309 601 F C -1.827 174.065 175.800 0.153 0.000 1.098 601 F CA -1.271 56.782 58.000 0.089 0.000 0.937 601 F CB 2.279 41.310 39.000 0.051 0.000 1.250 601 F HN 0.563 nan 8.300 nan 0.000 0.447 602 Y N 3.449 123.258 120.300 -0.819 0.000 2.553 602 Y HA 0.826 5.376 4.550 -0.000 0.000 0.347 602 Y C -1.662 173.787 175.900 -0.752 0.000 1.019 602 Y CA -0.889 56.874 58.100 -0.562 0.000 1.032 602 Y CB 2.043 40.332 38.460 -0.284 0.000 1.284 602 Y HN 0.873 nan 8.280 nan 0.000 0.466 603 A N 2.618 124.716 122.820 -1.203 0.000 2.427 603 A HA 0.573 4.893 4.320 -0.000 0.000 0.298 603 A C -1.181 175.791 177.584 -1.020 0.000 1.036 603 A CA -0.755 50.787 52.037 -0.824 0.000 0.701 603 A CB 0.909 19.696 19.000 -0.354 0.000 1.250 603 A HN 0.663 nan 8.150 nan 0.000 0.412 604 T N 5.427 119.665 114.554 -0.526 0.000 2.752 604 T HA 0.449 4.799 4.350 -0.000 0.000 0.295 604 T C -1.964 172.656 174.700 -0.134 0.000 0.923 604 T CA -0.348 61.614 62.100 -0.231 0.000 1.112 604 T CB 0.169 69.069 68.868 0.052 0.000 0.884 604 T HN 0.590 nan 8.240 nan 0.000 0.525 605 P HA 0.320 nan 4.420 nan 0.000 0.276 605 P C 0.131 177.429 177.300 -0.003 0.000 1.261 605 P CA -0.540 62.533 63.100 -0.046 0.000 0.800 605 P CB 0.731 32.412 31.700 -0.030 0.000 1.066 606 K N -2.221 118.180 120.400 0.002 0.000 3.547 606 K HA -0.146 4.174 4.320 -0.000 0.000 0.309 606 K C -0.043 176.562 176.600 0.009 0.000 1.324 606 K CA 0.720 57.013 56.287 0.010 0.000 0.988 606 K CB -1.805 30.705 32.500 0.017 0.000 1.261 606 K HN 0.382 nan 8.250 nan 0.000 0.444 607 L N 1.576 122.805 121.223 0.010 0.000 2.278 607 L HA 0.348 4.688 4.340 -0.000 0.000 0.287 607 L C 0.143 177.047 176.870 0.056 0.000 1.072 607 L CA -0.280 54.567 54.840 0.012 0.000 0.819 607 L CB 1.547 43.612 42.059 0.010 0.000 1.176 607 L HN 0.064 nan 8.230 nan 0.000 0.435 608 S N 4.823 120.574 115.700 0.085 0.000 2.584 608 S HA 0.678 5.148 4.470 -0.000 0.000 0.280 608 S C -1.906 172.830 174.600 0.227 0.000 1.162 608 S CA -0.650 57.627 58.200 0.130 0.000 0.951 608 S CB 1.049 64.289 63.200 0.068 0.000 1.108 608 S HN 0.634 nan 8.310 nan 0.000 0.464 609 W N 4.296 125.553 121.300 -0.072 0.000 3.419 609 W HA 0.436 5.096 4.660 -0.000 0.000 0.298 609 W C -2.301 174.173 176.519 -0.076 0.000 1.260 609 W CA -0.664 56.625 57.345 -0.093 0.000 1.199 609 W CB 0.334 29.703 29.460 -0.152 0.000 1.349 609 W HN 0.605 nan 8.180 nan 0.000 0.557 610 D N 4.014 124.224 120.400 -0.316 0.000 2.313 610 D HA 0.172 4.812 4.640 -0.000 0.000 0.239 610 D C 1.183 176.979 176.300 -0.840 0.000 1.142 610 D CA -0.075 53.630 54.000 -0.493 0.000 0.847 610 D CB 1.586 42.246 40.800 -0.233 0.000 1.082 610 D HN 0.581 nan 8.370 nan 0.000 0.480 611 R N 3.645 123.533 120.500 -1.021 0.000 2.062 611 R HA -0.094 4.246 4.340 -0.000 0.000 0.231 611 R C 1.843 178.043 176.300 -0.167 0.000 1.136 611 R CA 0.929 56.478 56.100 -0.919 0.000 0.948 611 R CB -0.002 29.975 30.300 -0.539 0.000 0.845 611 R HN 0.509 nan 8.270 nan 0.000 0.430 612 L N 0.352 121.519 121.223 -0.093 0.000 1.994 612 L HA -0.142 4.197 4.340 -0.000 0.000 0.208 612 L C 2.681 179.653 176.870 0.170 0.000 1.071 612 L CA 1.448 56.349 54.840 0.101 0.000 0.745 612 L CB -0.418 41.656 42.059 0.024 0.000 0.892 612 L HN 0.187 nan 8.230 nan 0.000 0.431 613 R N 0.309 120.798 120.500 -0.018 0.000 2.193 613 R HA 0.069 4.409 4.340 -0.000 0.000 0.213 613 R C 0.956 177.102 176.300 -0.257 0.000 1.055 613 R CA 0.736 56.808 56.100 -0.047 0.000 0.995 613 R CB -0.314 29.951 30.300 -0.059 0.000 0.893 613 R HN 0.474 nan 8.270 nan 0.000 0.459 614 G N 2.075 110.566 108.800 -0.514 0.000 2.368 614 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.290 614 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.290 614 G C -0.508 174.154 174.900 -0.396 0.000 1.098 614 G CA -0.147 44.330 45.100 -1.038 0.000 1.073 614 G HN 0.173 nan 8.290 nan 0.000 0.511 615 Q N -0.852 118.869 119.800 -0.132 0.000 2.289 615 Q HA 0.741 5.081 4.340 -0.000 0.000 0.270 615 Q C 0.446 176.515 176.000 0.116 0.000 1.038 615 Q CA 0.354 56.154 55.803 -0.004 0.000 0.812 615 Q CB 1.975 30.691 28.738 -0.036 0.000 1.300 615 Q HN 1.867 nan 8.270 nan 0.000 0.427 616 G N 1.562 110.444 108.800 0.136 0.000 2.270 616 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.268 616 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.268 616 G C -1.548 173.426 174.900 0.123 0.000 1.312 616 G CA -0.961 44.226 45.100 0.145 0.000 1.050 616 G HN 0.436 nan 8.290 nan 0.000 0.474 617 R N 1.426 121.971 120.500 0.076 0.000 2.275 617 R HA 0.528 4.868 4.340 -0.000 0.000 0.326 617 R C -1.844 174.319 176.300 -0.229 0.000 0.973 617 R CA -1.728 54.349 56.100 -0.037 0.000 0.854 617 R CB 1.798 32.087 30.300 -0.018 0.000 1.156 617 R HN 0.289 nan 8.270 nan 0.000 0.487 618 P HA 0.065 nan 4.420 nan 0.000 0.239 618 P C -0.548 176.111 177.300 -1.068 0.000 1.188 618 P CA 0.497 62.834 63.100 -1.271 0.000 0.794 618 P CB 0.373 30.614 31.700 -2.430 0.000 0.937 619 F N -0.908 118.842 119.950 -0.333 0.000 2.520 619 F HA 0.288 4.814 4.527 -0.000 0.000 0.322 619 F C 1.535 177.135 175.800 -0.334 0.000 1.103 619 F CA -1.212 56.553 58.000 -0.390 0.000 0.926 619 F CB 1.598 40.240 39.000 -0.597 0.000 1.154 619 F HN -0.337 nan 8.300 nan 0.000 0.453 620 L N 3.343 124.542 121.223 -0.041 0.000 2.046 620 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 620 L C -0.222 176.695 176.870 0.078 0.000 1.077 620 L CA 1.778 56.653 54.840 0.057 0.000 0.747 620 L CB -0.390 41.800 42.059 0.219 0.000 0.896 620 L HN 0.681 nan 8.230 nan 0.000 0.432 621 Y N -5.242 114.916 120.300 -0.236 0.000 2.744 621 Y HA 0.572 5.122 4.550 -0.000 0.000 0.330 621 Y C -1.272 174.300 175.900 -0.548 0.000 1.263 621 Y CA -2.337 55.586 58.100 -0.295 0.000 1.065 621 Y CB 0.398 38.813 38.460 -0.074 0.000 1.306 621 Y HN -0.217 nan 8.280 nan 0.000 0.459 622 F N 1.097 121.056 119.950 0.015 0.000 2.532 622 F HA 0.836 5.363 4.527 -0.000 0.000 0.321 622 F C 0.207 175.845 175.800 -0.269 0.000 1.089 622 F CA -0.965 56.850 58.000 -0.307 0.000 0.926 622 F CB 2.224 40.942 39.000 -0.470 0.000 1.168 622 F HN 0.796 nan 8.300 nan 0.000 0.459 623 A N 2.516 125.227 122.820 -0.182 0.000 2.295 623 A HA 0.797 5.116 4.320 -0.000 0.000 0.318 623 A C -1.681 175.629 177.584 -0.458 0.000 1.134 623 A CA -0.323 51.639 52.037 -0.124 0.000 0.827 623 A CB 0.476 19.478 19.000 0.003 0.000 1.136 623 A HN 0.730 nan 8.150 nan 0.000 0.493 624 Y N -0.488 119.725 120.300 -0.145 0.000 2.634 624 Y HA 0.734 5.284 4.550 -0.000 0.000 0.340 624 Y C 0.691 176.349 175.900 -0.402 0.000 1.058 624 Y CA 0.035 57.992 58.100 -0.237 0.000 1.081 624 Y CB 2.605 40.887 38.460 -0.296 0.000 1.295 624 Y HN 1.170 nan 8.280 nan 0.000 0.487 625 G N -0.350 108.390 108.800 -0.100 0.000 2.338 625 G HA2 0.628 4.588 3.960 -0.000 0.000 0.295 625 G HA3 0.628 4.588 3.960 -0.000 0.000 0.295 625 G C -2.268 172.627 174.900 -0.008 0.000 1.461 625 G CA -0.159 44.900 45.100 -0.069 0.000 0.817 625 G HN 0.964 nan 8.290 nan 0.000 0.556 626 A N -1.125 121.707 122.820 0.019 0.000 2.572 626 A HA 1.096 5.415 4.320 -0.000 0.000 0.295 626 A C -0.441 177.162 177.584 0.032 0.000 1.072 626 A CA 0.171 52.219 52.037 0.017 0.000 0.691 626 A CB 1.591 20.566 19.000 -0.041 0.000 1.291 626 A HN 2.565 nan 8.150 nan 0.000 0.404 627 A N 0.948 123.786 122.820 0.031 0.000 2.455 627 A HA 0.748 5.068 4.320 -0.000 0.000 0.300 627 A C -1.148 176.420 177.584 -0.026 0.000 1.040 627 A CA -0.295 51.743 52.037 0.003 0.000 0.697 627 A CB 0.801 19.829 19.000 0.046 0.000 1.265 627 A HN 0.784 nan 8.150 nan 0.000 0.407 628 I N 1.917 122.442 120.570 -0.075 0.000 2.354 628 I HA 0.447 4.617 4.170 -0.000 0.000 0.292 628 I C -0.130 175.981 176.117 -0.011 0.000 0.989 628 I CA -0.040 61.215 61.300 -0.075 0.000 1.188 628 I CB 2.197 40.092 38.000 -0.175 0.000 1.342 628 I HN 0.603 nan 8.210 nan 0.000 0.457 629 T N 5.336 119.920 114.554 0.049 0.000 2.863 629 T HA 0.353 4.703 4.350 -0.000 0.000 0.285 629 T C -0.729 174.003 174.700 0.054 0.000 1.009 629 T CA -0.658 61.475 62.100 0.055 0.000 0.989 629 T CB 2.000 70.945 68.868 0.128 0.000 1.004 629 T HN 0.510 nan 8.240 nan 0.000 0.455 630 E N 2.056 122.266 120.200 0.016 0.000 2.222 630 E HA 0.641 4.991 4.350 -0.000 0.000 0.267 630 E C -1.081 175.494 176.600 -0.043 0.000 0.884 630 E CA -0.789 55.603 56.400 -0.013 0.000 0.764 630 E CB 1.557 31.238 29.700 -0.032 0.000 1.169 630 E HN 0.520 nan 8.360 nan 0.000 0.413 631 V N 0.472 120.350 119.914 -0.060 0.000 3.102 631 V HA 0.763 4.883 4.120 -0.000 0.000 0.312 631 V C -0.492 175.546 176.094 -0.094 0.000 1.135 631 V CA -0.893 61.365 62.300 -0.070 0.000 1.022 631 V CB 1.507 33.297 31.823 -0.056 0.000 1.056 631 V HN 0.413 nan 8.190 nan 0.000 0.436 632 V N 0.994 120.860 119.914 -0.081 0.000 2.680 632 V HA 0.823 4.943 4.120 -0.000 0.000 0.309 632 V C -0.269 175.809 176.094 -0.026 0.000 1.052 632 V CA -0.613 61.651 62.300 -0.060 0.000 0.908 632 V CB 1.216 33.003 31.823 -0.060 0.000 1.001 632 V HN 1.225 nan 8.190 nan 0.000 0.431 633 I N -0.752 119.818 120.570 0.000 0.000 2.608 633 I HA 0.738 4.908 4.170 -0.000 0.000 0.295 633 I C -0.970 175.157 176.117 0.017 0.000 1.049 633 I CA -0.583 60.713 61.300 -0.007 0.000 1.063 633 I CB 2.133 40.113 38.000 -0.034 0.000 1.248 633 I HN 0.545 nan 8.210 nan 0.000 0.424 634 D N 3.908 124.311 120.400 0.004 0.000 2.317 634 D HA 0.219 4.859 4.640 -0.000 0.000 0.252 634 D C 0.791 177.089 176.300 -0.004 0.000 1.174 634 D CA -0.167 53.837 54.000 0.008 0.000 0.866 634 D CB 1.141 41.941 40.800 0.001 0.000 1.127 634 D HN 0.464 nan 8.370 nan 0.000 0.467 635 R N 3.156 123.654 120.500 -0.002 0.000 2.339 635 R HA 0.040 4.380 4.340 -0.000 0.000 0.199 635 R C 0.931 177.221 176.300 -0.016 0.000 1.018 635 R CA 0.438 56.530 56.100 -0.013 0.000 1.036 635 R CB 0.195 30.486 30.300 -0.015 0.000 0.899 635 R HN 0.567 nan 8.270 nan 0.000 0.473 636 L N -1.593 119.621 121.223 -0.014 0.000 2.515 636 L HA 0.026 4.366 4.340 -0.000 0.000 0.202 636 L C 2.112 178.973 176.870 -0.015 0.000 1.056 636 L CA 0.928 55.760 54.840 -0.014 0.000 0.847 636 L CB 0.201 42.253 42.059 -0.012 0.000 1.131 636 L HN 0.138 nan 8.230 nan 0.000 0.484 637 T N -5.017 109.529 114.554 -0.015 0.000 2.999 637 T HA 0.291 4.640 4.350 -0.000 0.000 0.247 637 T C 1.393 176.081 174.700 -0.020 0.000 1.012 637 T CA 0.711 62.801 62.100 -0.016 0.000 1.048 637 T CB 1.094 69.954 68.868 -0.014 0.000 1.020 637 T HN 0.336 nan 8.240 nan 0.000 0.478 638 G N 1.258 110.045 108.800 -0.022 0.000 2.184 638 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.206 638 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.206 638 G C -0.212 174.670 174.900 -0.030 0.000 0.995 638 G CA -0.120 44.962 45.100 -0.030 0.000 0.651 638 G HN 0.652 nan 8.290 nan 0.000 0.511 639 E N 0.783 120.969 120.200 -0.024 0.000 2.437 639 E HA 0.387 4.736 4.350 -0.000 0.000 0.263 639 E C 0.459 177.044 176.600 -0.024 0.000 1.030 639 E CA 1.021 57.406 56.400 -0.024 0.000 0.934 639 E CB 0.252 29.942 29.700 -0.017 0.000 0.943 639 E HN 0.773 nan 8.360 nan 0.000 0.444 640 N N 1.073 119.755 118.700 -0.030 0.000 2.484 640 N HA 0.400 5.140 4.740 -0.000 0.000 0.269 640 N C -1.564 173.924 175.510 -0.037 0.000 1.237 640 N CA -1.079 51.950 53.050 -0.034 0.000 0.838 640 N CB 1.566 40.026 38.487 -0.045 0.000 1.593 640 N HN 0.349 nan 8.380 nan 0.000 0.485 641 R N 1.425 121.901 120.500 -0.040 0.000 2.574 641 R HA 0.494 4.834 4.340 -0.000 0.000 0.288 641 R C -1.306 174.963 176.300 -0.052 0.000 1.004 641 R CA -0.762 55.312 56.100 -0.043 0.000 0.895 641 R CB 1.196 31.475 30.300 -0.034 0.000 1.191 641 R HN 0.725 nan 8.270 nan 0.000 0.444 642 I N 6.271 126.808 120.570 -0.054 0.000 2.517 642 I HA -0.021 4.149 4.170 -0.000 0.000 0.285 642 I C 1.072 177.150 176.117 -0.065 0.000 1.106 642 I CA 0.038 61.306 61.300 -0.054 0.000 1.402 642 I CB 0.945 38.917 38.000 -0.048 0.000 1.399 642 I HN 0.680 nan 8.210 nan 0.000 0.535 643 L N 5.816 126.998 121.223 -0.068 0.000 2.130 643 L HA 0.194 4.534 4.340 -0.000 0.000 0.200 643 L C 1.084 177.912 176.870 -0.069 0.000 1.075 643 L CA 0.665 55.461 54.840 -0.073 0.000 0.768 643 L CB 0.009 42.010 42.059 -0.096 0.000 0.933 643 L HN 0.565 nan 8.230 nan 0.000 0.451 644 R N -0.827 119.632 120.500 -0.067 0.000 2.651 644 R HA 0.431 4.771 4.340 -0.000 0.000 0.278 644 R C -1.677 174.577 176.300 -0.077 0.000 1.010 644 R CA -0.348 55.715 56.100 -0.061 0.000 0.896 644 R CB 2.083 32.364 30.300 -0.031 0.000 1.211 644 R HN -0.171 nan 8.270 nan 0.000 0.456 645 T N 2.535 117.020 114.554 -0.115 0.000 2.881 645 T HA 0.356 4.706 4.350 -0.000 0.000 0.290 645 T C -1.629 173.036 174.700 -0.058 0.000 1.000 645 T CA -0.746 61.250 62.100 -0.173 0.000 0.978 645 T CB 1.622 70.179 68.868 -0.518 0.000 0.997 645 T HN 0.521 nan 8.240 nan 0.000 0.443 646 D N 2.057 122.419 120.400 -0.064 0.000 2.492 646 D HA 0.593 5.233 4.640 -0.000 0.000 0.248 646 D C -0.642 175.631 176.300 -0.045 0.000 1.101 646 D CA -0.303 53.683 54.000 -0.024 0.000 0.840 646 D CB 1.366 42.160 40.800 -0.011 0.000 1.209 646 D HN 0.378 nan 8.370 nan 0.000 0.524 647 I N 1.990 122.548 120.570 -0.020 0.000 2.465 647 I HA 0.389 4.559 4.170 -0.000 0.000 0.291 647 I C -1.205 174.938 176.117 0.043 0.000 1.014 647 I CA -1.068 60.231 61.300 -0.002 0.000 1.093 647 I CB 1.829 39.822 38.000 -0.011 0.000 1.267 647 I HN 0.128 nan 8.210 nan 0.000 0.431 648 L N 6.819 128.081 121.223 0.064 0.000 2.342 648 L HA 0.495 4.835 4.340 -0.000 0.000 0.276 648 L C -1.078 175.871 176.870 0.133 0.000 0.997 648 L CA -0.110 54.795 54.840 0.108 0.000 0.838 648 L CB 0.809 42.925 42.059 0.095 0.000 1.224 648 L HN 0.552 nan 8.230 nan 0.000 0.416 649 H N 1.810 120.931 119.070 0.085 0.000 2.572 649 H HA 0.463 5.019 4.556 -0.000 0.000 0.359 649 H C -1.245 174.177 175.328 0.156 0.000 1.134 649 H CA -0.646 55.451 56.048 0.082 0.000 1.187 649 H CB 1.626 31.425 29.762 0.063 0.000 1.597 649 H HN 0.617 nan 8.280 nan 0.000 0.524 650 D N 3.074 123.236 120.400 -0.397 0.000 2.411 650 D HA 0.257 4.897 4.640 -0.000 0.000 0.225 650 D C 0.026 176.338 176.300 0.020 0.000 1.156 650 D CA -0.051 53.925 54.000 -0.041 0.000 0.874 650 D CB 0.564 41.343 40.800 -0.035 0.000 1.034 650 D HN 0.627 nan 8.370 nan 0.000 0.502 651 A N 3.155 126.085 122.820 0.184 0.000 2.345 651 A HA 0.576 4.895 4.320 -0.000 0.000 0.225 651 A C 1.460 179.122 177.584 0.130 0.000 1.243 651 A CA 0.483 52.630 52.037 0.183 0.000 0.875 651 A CB -0.581 18.521 19.000 0.172 0.000 0.929 651 A HN 0.883 nan 8.150 nan 0.000 0.502 652 G N -0.160 108.725 108.800 0.143 0.000 2.550 652 G HA2 0.086 4.046 3.960 -0.000 0.000 0.277 652 G HA3 0.086 4.046 3.960 -0.000 0.000 0.277 652 G C 0.544 175.473 174.900 0.049 0.000 1.190 652 G CA 0.082 45.237 45.100 0.092 0.000 0.971 652 G HN 1.742 nan 8.290 nan 0.000 0.559 653 A N 0.046 122.876 122.820 0.017 0.000 2.650 653 A HA 0.698 5.018 4.320 -0.000 0.000 0.320 653 A C 0.815 178.408 177.584 0.014 0.000 1.466 653 A CA 1.392 53.434 52.037 0.008 0.000 1.099 653 A CB -0.092 18.915 19.000 0.012 0.000 1.136 653 A HN 2.137 nan 8.150 nan 0.000 0.532 654 S N 1.664 117.371 115.700 0.012 0.000 2.561 654 S HA 0.073 4.543 4.470 -0.000 0.000 0.294 654 S C 1.268 175.854 174.600 -0.023 0.000 1.294 654 S CA -0.124 58.081 58.200 0.008 0.000 1.055 654 S CB 0.007 63.213 63.200 0.010 0.000 0.819 654 S HN 0.572 nan 8.310 nan 0.000 0.503 655 L N 3.511 124.717 121.223 -0.028 0.000 2.209 655 L HA 0.209 4.549 4.340 -0.000 0.000 0.207 655 L C 1.092 177.912 176.870 -0.084 0.000 1.094 655 L CA 0.491 55.287 54.840 -0.074 0.000 0.790 655 L CB -0.023 42.000 42.059 -0.060 0.000 0.932 655 L HN 0.620 nan 8.230 nan 0.000 0.447 656 N N -1.298 117.372 118.700 -0.050 0.000 2.793 656 N HA 0.127 4.867 4.740 -0.000 0.000 0.251 656 N C -2.359 173.138 175.510 -0.022 0.000 1.308 656 N CA -1.013 52.010 53.050 -0.044 0.000 0.781 656 N CB 1.447 39.908 38.487 -0.043 0.000 1.439 656 N HN -0.278 nan 8.380 nan 0.000 0.562 657 P HA -0.087 nan 4.420 nan 0.000 0.216 657 P C 1.092 178.387 177.300 -0.009 0.000 1.150 657 P CA 1.361 64.455 63.100 -0.010 0.000 0.843 657 P CB 0.396 32.086 31.700 -0.017 0.000 0.787 658 A N -0.695 122.118 122.820 -0.012 0.000 1.898 658 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 658 A C 2.181 179.764 177.584 -0.000 0.000 1.181 658 A CA 1.391 53.423 52.037 -0.008 0.000 0.620 658 A CB -1.555 17.443 19.000 -0.004 0.000 0.819 658 A HN 0.127 nan 8.150 nan 0.000 0.442 659 L N -0.699 120.528 121.223 0.007 0.000 2.156 659 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 659 L C 1.757 178.634 176.870 0.012 0.000 1.095 659 L CA 1.107 55.960 54.840 0.021 0.000 0.770 659 L CB -0.569 41.505 42.059 0.024 0.000 0.914 659 L HN 0.262 nan 8.230 nan 0.000 0.439 660 D N 0.086 120.490 120.400 0.006 0.000 2.162 660 D HA -0.101 4.539 4.640 -0.000 0.000 0.203 660 D C 2.278 178.572 176.300 -0.010 0.000 0.967 660 D CA 0.825 54.829 54.000 0.007 0.000 0.840 660 D CB 0.108 40.926 40.800 0.030 0.000 0.972 660 D HN 0.105 nan 8.370 nan 0.000 0.482 661 I N 1.059 121.618 120.570 -0.018 0.000 2.226 661 I HA -0.115 4.055 4.170 -0.000 0.000 0.245 661 I C 2.444 178.519 176.117 -0.070 0.000 1.100 661 I CA 1.147 62.416 61.300 -0.051 0.000 1.374 661 I CB -1.364 36.601 38.000 -0.058 0.000 1.057 661 I HN 0.005 nan 8.210 nan 0.000 0.413 662 G N 0.225 109.002 108.800 -0.039 0.000 2.418 662 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 662 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 662 G C 1.522 176.423 174.900 0.002 0.000 1.158 662 G CA 0.248 45.335 45.100 -0.021 0.000 0.771 662 G HN 0.326 nan 8.290 nan 0.000 0.545 663 Q N 0.203 120.006 119.800 0.006 0.000 2.061 663 Q HA -0.076 4.264 4.340 -0.000 0.000 0.204 663 Q C 2.746 178.747 176.000 0.002 0.000 0.984 663 Q CA 1.134 56.945 55.803 0.014 0.000 0.846 663 Q CB -0.307 28.428 28.738 -0.006 0.000 0.902 663 Q HN 0.609 nan 8.270 nan 0.000 0.421 664 I N 0.510 121.050 120.570 -0.050 0.000 2.202 664 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 664 I C 2.206 178.338 176.117 0.025 0.000 1.091 664 I CA 0.962 62.217 61.300 -0.074 0.000 1.368 664 I CB -0.311 37.605 38.000 -0.141 0.000 1.058 664 I HN 0.189 nan 8.210 nan 0.000 0.410 665 E N 0.986 121.162 120.200 -0.041 0.000 2.097 665 E HA -0.213 4.136 4.350 -0.000 0.000 0.196 665 E C 2.297 179.017 176.600 0.200 0.000 1.000 665 E CA 1.433 57.815 56.400 -0.030 0.000 0.804 665 E CB -0.362 29.192 29.700 -0.243 0.000 0.740 665 E HN 0.624 nan 8.360 nan 0.000 0.454 666 G N 0.770 109.649 108.800 0.132 0.000 2.394 666 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.214 666 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.214 666 G C 1.671 176.683 174.900 0.186 0.000 1.176 666 G CA 0.742 45.942 45.100 0.167 0.000 0.786 666 G HN 0.351 nan 8.290 nan 0.000 0.533 667 A N -0.146 122.781 122.820 0.179 0.000 1.972 667 A HA -0.012 4.308 4.320 -0.000 0.000 0.219 667 A C 2.179 179.799 177.584 0.059 0.000 1.169 667 A CA 1.669 53.819 52.037 0.189 0.000 0.635 667 A CB -0.622 18.479 19.000 0.169 0.000 0.810 667 A HN 0.497 nan 8.150 nan 0.000 0.446 668 Y N 0.498 120.808 120.300 0.016 0.000 2.145 668 Y HA -0.163 4.387 4.550 -0.000 0.000 0.286 668 Y C 2.277 178.138 175.900 -0.065 0.000 1.145 668 Y CA 1.938 60.028 58.100 -0.017 0.000 1.148 668 Y CB -0.342 38.191 38.460 0.121 0.000 0.981 668 Y HN 0.058 nan 8.280 nan 0.000 0.507 669 V N 0.721 120.624 119.914 -0.019 0.000 2.295 669 V HA -0.335 3.785 4.120 -0.000 0.000 0.246 669 V C 2.397 178.378 176.094 -0.189 0.000 1.049 669 V CA 2.375 64.597 62.300 -0.130 0.000 1.024 669 V CB -0.753 31.102 31.823 0.054 0.000 0.648 669 V HN 0.475 nan 8.190 nan 0.000 0.447 670 Q N -0.274 119.468 119.800 -0.097 0.000 2.167 670 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 670 Q C 2.206 178.005 176.000 -0.335 0.000 0.970 670 Q CA 1.561 57.341 55.803 -0.039 0.000 0.855 670 Q CB -0.306 28.554 28.738 0.203 0.000 0.911 670 Q HN 0.693 nan 8.270 nan 0.000 0.438 671 G N 0.109 108.404 108.800 -0.843 0.000 2.404 671 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.215 671 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.215 671 G C 1.397 175.960 174.900 -0.561 0.000 1.174 671 G CA 0.722 45.017 45.100 -1.341 0.000 0.780 671 G HN 0.453 nan 8.290 nan 0.000 0.537 672 A N 0.889 123.372 122.820 -0.563 0.000 1.930 672 A HA 0.207 4.527 4.320 -0.000 0.000 0.217 672 A C 2.696 180.139 177.584 -0.236 0.000 1.175 672 A CA 1.949 53.736 52.037 -0.417 0.000 0.627 672 A CB -1.077 17.559 19.000 -0.607 0.000 0.815 672 A HN 0.522 nan 8.150 nan 0.000 0.443 673 G N -1.052 107.625 108.800 -0.205 0.000 2.476 673 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.218 673 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.218 673 G C 1.347 176.228 174.900 -0.031 0.000 1.164 673 G CA 1.281 46.314 45.100 -0.112 0.000 0.768 673 G HN 0.704 nan 8.290 nan 0.000 0.560 674 W N 1.200 122.393 121.300 -0.178 0.000 2.308 674 W HA -0.042 4.617 4.660 -0.000 0.000 0.301 674 W C 1.613 178.060 176.519 -0.121 0.000 1.220 674 W CA 1.343 58.617 57.345 -0.117 0.000 1.240 674 W CB -0.281 29.140 29.460 -0.066 0.000 1.142 674 W HN 0.141 nan 8.180 nan 0.000 0.521 675 L N 0.590 121.650 121.223 -0.272 0.000 2.818 675 L HA 0.215 4.555 4.340 -0.000 0.000 0.243 675 L C 1.452 178.249 176.870 -0.122 0.000 1.185 675 L CA 0.621 55.215 54.840 -0.410 0.000 0.988 675 L CB -0.512 41.237 42.059 -0.516 0.000 1.292 675 L HN -0.012 nan 8.230 nan 0.000 0.519 676 T N -5.779 108.706 114.554 -0.114 0.000 3.364 676 T HA 0.001 4.351 4.350 -0.000 0.000 0.179 676 T C 1.533 176.173 174.700 -0.100 0.000 0.939 676 T CA 0.735 62.789 62.100 -0.077 0.000 1.094 676 T CB -0.286 68.531 68.868 -0.085 0.000 1.532 676 T HN 0.063 nan 8.240 nan 0.000 0.346 677 T N -0.087 114.387 114.554 -0.133 0.000 3.054 677 T HA 0.246 4.596 4.350 -0.000 0.000 0.259 677 T C 0.587 175.138 174.700 -0.249 0.000 1.092 677 T CA 0.043 62.045 62.100 -0.164 0.000 1.121 677 T CB -0.511 68.259 68.868 -0.163 0.000 0.912 677 T HN 0.494 nan 8.240 nan 0.000 0.489 678 E N 2.079 122.110 120.200 -0.283 0.000 2.166 678 E HA 0.295 4.645 4.350 -0.000 0.000 0.279 678 E C -0.358 176.118 176.600 -0.206 0.000 1.095 678 E CA 0.004 56.134 56.400 -0.451 0.000 0.888 678 E CB 0.492 29.991 29.700 -0.334 0.000 1.041 678 E HN 0.521 nan 8.360 nan 0.000 0.414 679 E N 4.384 124.471 120.200 -0.188 0.000 2.278 679 E HA 0.236 4.585 4.350 -0.000 0.000 0.272 679 E C -1.383 175.267 176.600 0.084 0.000 0.890 679 E CA -0.590 55.807 56.400 -0.006 0.000 0.770 679 E CB 1.076 30.751 29.700 -0.042 0.000 1.212 679 E HN 0.377 nan 8.360 nan 0.000 0.415 680 L N 3.884 125.164 121.223 0.094 0.000 2.289 680 L HA 0.508 4.848 4.340 -0.000 0.000 0.285 680 L C -0.685 176.066 176.870 -0.198 0.000 1.049 680 L CA -0.853 53.924 54.840 -0.104 0.000 0.804 680 L CB 1.578 43.512 42.059 -0.209 0.000 1.195 680 L HN 0.318 nan 8.230 nan 0.000 0.428 681 V N 2.065 121.780 119.914 -0.331 0.000 2.487 681 V HA 0.439 4.559 4.120 -0.000 0.000 0.298 681 V C -0.696 175.221 176.094 -0.294 0.000 1.028 681 V CA -0.664 61.538 62.300 -0.164 0.000 0.860 681 V CB 1.943 33.734 31.823 -0.055 0.000 0.991 681 V HN 0.608 nan 8.190 nan 0.000 0.427 682 W N 2.424 123.751 121.300 0.045 0.000 2.627 682 W HA 0.462 5.122 4.660 -0.000 0.000 0.339 682 W C -0.177 176.358 176.519 0.026 0.000 1.058 682 W CA -0.535 56.828 57.345 0.031 0.000 1.223 682 W CB 2.339 31.815 29.460 0.027 0.000 1.389 682 W HN 0.789 nan 8.180 nan 0.000 0.541 683 D N -0.859 119.665 120.400 0.207 0.000 2.507 683 D HA 0.003 4.643 4.640 -0.000 0.000 0.280 683 D C 1.651 178.003 176.300 0.086 0.000 1.219 683 D CA 0.011 54.085 54.000 0.122 0.000 1.085 683 D CB -0.150 40.661 40.800 0.018 0.000 1.134 683 D HN 0.474 nan 8.370 nan 0.000 0.583 684 H N -1.437 117.679 119.070 0.076 0.000 2.456 684 H HA -0.060 4.495 4.556 -0.000 0.000 0.296 684 H C 1.352 176.701 175.328 0.036 0.000 1.079 684 H CA 0.961 57.038 56.048 0.049 0.000 1.322 684 H CB -1.001 28.779 29.762 0.030 0.000 1.388 684 H HN 0.317 nan 8.280 nan 0.000 0.538 685 C N 0.537 119.627 119.300 -0.351 0.000 2.481 685 C HA 0.275 4.735 4.460 -0.000 0.000 0.275 685 C C 2.071 177.019 174.990 -0.071 0.000 1.419 685 C CA 0.755 59.655 59.018 -0.197 0.000 1.773 685 C CB -0.708 26.874 27.740 -0.264 0.000 1.862 685 C HN 0.927 nan 8.230 nan 0.000 0.530 686 G N 0.773 109.575 108.800 0.004 0.000 2.136 686 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.242 686 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.242 686 G C -0.019 175.029 174.900 0.246 0.000 0.989 686 G CA -0.323 44.831 45.100 0.088 0.000 0.682 686 G HN 0.602 nan 8.290 nan 0.000 0.522 687 R N -0.512 120.084 120.500 0.161 0.000 2.340 687 R HA 0.474 4.814 4.340 -0.000 0.000 0.300 687 R C 0.376 176.789 176.300 0.189 0.000 1.069 687 R CA -0.819 55.362 56.100 0.135 0.000 0.984 687 R CB 0.988 31.282 30.300 -0.011 0.000 1.003 687 R HN 0.198 nan 8.270 nan 0.000 0.459 688 L N 3.675 124.964 121.223 0.110 0.000 2.477 688 L HA 0.014 4.354 4.340 -0.000 0.000 0.272 688 L C 0.850 177.667 176.870 -0.088 0.000 1.157 688 L CA 0.670 55.364 54.840 -0.243 0.000 0.889 688 L CB 0.726 42.662 42.059 -0.205 0.000 1.158 688 L HN 0.735 nan 8.230 nan 0.000 0.473 689 M N 2.465 121.974 119.600 -0.151 0.000 2.394 689 M HA 0.077 4.557 4.480 -0.000 0.000 0.266 689 M C 0.706 176.982 176.300 -0.040 0.000 1.098 689 M CA 0.706 55.997 55.300 -0.015 0.000 1.149 689 M CB 0.116 32.695 32.600 -0.035 0.000 1.369 689 M HN 0.730 nan 8.290 nan 0.000 0.450 690 T N -0.632 113.836 114.554 -0.144 0.000 3.005 690 T HA 0.259 4.609 4.350 -0.000 0.000 0.323 690 T C 0.135 174.755 174.700 -0.135 0.000 1.131 690 T CA -0.585 61.427 62.100 -0.146 0.000 0.977 690 T CB -0.394 68.422 68.868 -0.086 0.000 1.055 690 T HN 0.544 nan 8.240 nan 0.000 0.562 691 H N 0.960 119.964 119.070 -0.109 0.000 2.885 691 H HA 0.646 5.202 4.556 -0.000 0.000 0.254 691 H C -0.263 175.045 175.328 -0.035 0.000 1.185 691 H CA -0.724 55.268 56.048 -0.094 0.000 1.029 691 H CB -0.055 29.663 29.762 -0.075 0.000 1.743 691 H HN 0.703 nan 8.280 nan 0.000 0.632 692 A N 1.443 124.141 122.820 -0.203 0.000 2.593 692 A HA 0.512 4.832 4.320 -0.000 0.000 0.290 692 A C -2.422 175.106 177.584 -0.093 0.000 1.126 692 A CA -1.487 50.495 52.037 -0.092 0.000 0.695 692 A CB 1.621 20.531 19.000 -0.151 0.000 1.290 692 A HN -0.025 nan 8.150 nan 0.000 0.414 693 P HA -0.035 nan 4.420 nan 0.000 0.233 693 P C 1.222 178.459 177.300 -0.104 0.000 1.167 693 P CA 1.672 64.686 63.100 -0.143 0.000 0.770 693 P CB 0.255 31.987 31.700 0.053 0.000 0.837 694 S N -1.762 113.891 115.700 -0.077 0.000 2.558 694 S HA -0.009 4.461 4.470 -0.000 0.000 0.217 694 S C 1.434 175.976 174.600 -0.096 0.000 0.975 694 S CA 1.197 59.353 58.200 -0.074 0.000 0.912 694 S CB -1.149 62.019 63.200 -0.054 0.000 0.776 694 S HN 0.231 nan 8.310 nan 0.000 0.526 695 T N -3.271 111.213 114.554 -0.116 0.000 2.954 695 T HA 0.281 4.631 4.350 -0.000 0.000 0.252 695 T C -0.062 174.592 174.700 -0.076 0.000 0.983 695 T CA -0.305 61.730 62.100 -0.109 0.000 0.941 695 T CB -0.405 68.376 68.868 -0.144 0.000 1.141 695 T HN 0.333 nan 8.240 nan 0.000 0.500 696 Y N 2.161 122.320 120.300 -0.235 0.000 2.335 696 Y HA 0.639 5.189 4.550 -0.000 0.000 0.339 696 Y C -0.742 174.983 175.900 -0.291 0.000 0.987 696 Y CA -1.297 56.650 58.100 -0.256 0.000 1.140 696 Y CB 1.084 39.365 38.460 -0.299 0.000 1.173 696 Y HN -0.184 nan 8.280 nan 0.000 0.486 697 K N 7.749 127.805 120.400 -0.573 0.000 2.419 697 K HA 0.305 4.625 4.320 -0.000 0.000 0.244 697 K C -0.703 175.631 176.600 -0.444 0.000 1.045 697 K CA -0.338 55.706 56.287 -0.406 0.000 1.004 697 K CB -0.272 32.072 32.500 -0.261 0.000 1.376 697 K HN 0.706 nan 8.250 nan 0.000 0.460 698 I N -0.892 119.458 120.570 -0.367 0.000 3.004 698 I HA 0.398 4.568 4.170 -0.000 0.000 0.287 698 I C -1.870 174.180 176.117 -0.112 0.000 1.144 698 I CA -2.215 58.967 61.300 -0.197 0.000 1.353 698 I CB 0.156 38.135 38.000 -0.035 0.000 1.417 698 I HN 0.278 nan 8.210 nan 0.000 0.602 699 P HA 0.179 nan 4.420 nan 0.000 0.267 699 P C -0.744 176.550 177.300 -0.009 0.000 1.209 699 P CA 0.051 63.119 63.100 -0.053 0.000 0.763 699 P CB 0.623 32.286 31.700 -0.061 0.000 0.816 700 A N 3.144 125.968 122.820 0.006 0.000 2.264 700 A HA 0.357 4.677 4.320 -0.000 0.000 0.304 700 A C 1.024 178.669 177.584 0.102 0.000 1.100 700 A CA -0.549 51.527 52.037 0.065 0.000 0.839 700 A CB -0.150 18.888 19.000 0.064 0.000 1.121 700 A HN 0.543 nan 8.150 nan 0.000 0.496 701 F N 1.521 121.488 119.950 0.029 0.000 2.050 701 F HA -0.377 4.150 4.527 -0.000 0.000 0.294 701 F C 2.875 178.692 175.800 0.028 0.000 1.113 701 F CA 3.416 61.438 58.000 0.037 0.000 1.225 701 F CB -0.125 38.896 39.000 0.036 0.000 0.953 701 F HN 0.623 nan 8.300 nan 0.000 0.501 702 S N -0.704 115.191 115.700 0.325 0.000 2.442 702 S HA -0.217 4.253 4.470 -0.000 0.000 0.236 702 S C 1.611 176.264 174.600 0.087 0.000 1.007 702 S CA 1.464 59.788 58.200 0.206 0.000 0.965 702 S CB -0.725 62.551 63.200 0.127 0.000 0.773 702 S HN 0.511 nan 8.310 nan 0.000 0.504 703 D N 2.195 122.620 120.400 0.041 0.000 2.310 703 D HA -0.054 4.586 4.640 -0.000 0.000 0.212 703 D C 1.030 177.299 176.300 -0.053 0.000 0.965 703 D CA 0.489 54.479 54.000 -0.017 0.000 0.879 703 D CB -0.267 40.511 40.800 -0.037 0.000 0.921 703 D HN 0.753 nan 8.370 nan 0.000 0.510 704 R N 1.622 122.089 120.500 -0.054 0.000 2.640 704 R HA 0.169 4.509 4.340 -0.000 0.000 0.270 704 R C -2.612 173.604 176.300 -0.139 0.000 1.024 704 R CA -1.057 54.980 56.100 -0.104 0.000 1.085 704 R CB -0.708 29.554 30.300 -0.063 0.000 0.963 704 R HN -0.219 nan 8.270 nan 0.000 0.426 705 P HA -0.034 nan 4.420 nan 0.000 0.261 705 P C 0.092 177.319 177.300 -0.121 0.000 1.183 705 P CA -0.092 62.840 63.100 -0.281 0.000 0.761 705 P CB 0.574 31.921 31.700 -0.589 0.000 0.785 706 R N 2.736 123.203 120.500 -0.054 0.000 2.091 706 R HA -0.047 4.293 4.340 -0.000 0.000 0.238 706 R C 0.753 177.071 176.300 0.031 0.000 1.136 706 R CA 1.313 57.415 56.100 0.003 0.000 0.959 706 R CB -0.464 29.834 30.300 -0.005 0.000 0.856 706 R HN 0.516 nan 8.270 nan 0.000 0.437 707 I N 0.468 121.046 120.570 0.014 0.000 2.362 707 I HA 0.229 4.399 4.170 -0.000 0.000 0.289 707 I C -0.586 175.593 176.117 0.102 0.000 0.994 707 I CA -0.294 61.040 61.300 0.056 0.000 1.158 707 I CB 1.347 39.365 38.000 0.029 0.000 1.315 707 I HN -0.115 nan 8.210 nan 0.000 0.451 708 F N 6.605 126.539 119.950 -0.026 0.000 2.532 708 F HA 0.429 4.956 4.527 -0.000 0.000 0.365 708 F C -0.493 175.276 175.800 -0.051 0.000 1.112 708 F CA -0.915 57.054 58.000 -0.052 0.000 1.082 708 F CB 0.789 39.769 39.000 -0.034 0.000 1.319 708 F HN 0.484 nan 8.300 nan 0.000 0.457 709 N N 5.563 124.394 118.700 0.219 0.000 2.476 709 N HA 0.334 5.074 4.740 -0.000 0.000 0.257 709 N C -1.092 174.415 175.510 -0.005 0.000 0.970 709 N CA -0.248 52.832 53.050 0.049 0.000 0.938 709 N CB 2.569 41.082 38.487 0.043 0.000 1.144 709 N HN 0.171 nan 8.380 nan 0.000 0.500 710 V N 0.886 120.739 119.914 -0.101 0.000 2.495 710 V HA 0.832 4.952 4.120 -0.000 0.000 0.298 710 V C -0.068 176.002 176.094 -0.039 0.000 1.031 710 V CA -0.884 61.359 62.300 -0.095 0.000 0.871 710 V CB 1.404 33.105 31.823 -0.205 0.000 0.988 710 V HN 0.718 nan 8.190 nan 0.000 0.432 711 A N 5.058 127.888 122.820 0.016 0.000 2.422 711 A HA 0.868 5.188 4.320 -0.000 0.000 0.302 711 A C -1.030 176.614 177.584 0.099 0.000 1.041 711 A CA -0.606 51.458 52.037 0.045 0.000 0.708 711 A CB 1.276 20.307 19.000 0.052 0.000 1.257 711 A HN 0.787 nan 8.150 nan 0.000 0.414 712 L N 2.198 123.478 121.223 0.094 0.000 2.350 712 L HA 0.269 4.609 4.340 -0.000 0.000 0.275 712 L C -0.019 176.959 176.870 0.180 0.000 1.099 712 L CA -0.399 54.527 54.840 0.142 0.000 0.808 712 L CB 1.074 43.189 42.059 0.092 0.000 1.149 712 L HN 0.823 nan 8.230 nan 0.000 0.442 713 W N 5.002 126.312 121.300 0.017 0.000 2.365 713 W HA 0.088 4.748 4.660 -0.000 0.000 0.371 713 W C -0.364 176.153 176.519 -0.003 0.000 1.006 713 W CA -0.588 56.755 57.345 -0.004 0.000 1.528 713 W CB 0.774 30.221 29.460 -0.021 0.000 1.497 713 W HN 0.501 nan 8.180 nan 0.000 0.367 714 D N 4.823 125.095 120.400 -0.213 0.000 2.374 714 D HA 0.067 4.707 4.640 -0.000 0.000 0.240 714 D C -0.833 175.275 176.300 -0.320 0.000 1.229 714 D CA 0.746 54.632 54.000 -0.189 0.000 0.895 714 D CB 0.496 41.213 40.800 -0.139 0.000 1.046 714 D HN 0.492 nan 8.370 nan 0.000 0.498 715 Q N 3.881 123.560 119.800 -0.202 0.000 2.364 715 Q HA 0.287 4.626 4.340 -0.000 0.000 0.251 715 Q C -2.743 173.239 176.000 -0.029 0.000 0.927 715 Q CA -1.734 53.967 55.803 -0.171 0.000 0.924 715 Q CB 1.889 30.468 28.738 -0.264 0.000 1.419 715 Q HN 0.180 nan 8.270 nan 0.000 0.427 716 P HA -0.064 nan 4.420 nan 0.000 0.266 716 P C -0.681 176.614 177.300 -0.008 0.000 1.193 716 P CA 0.042 63.132 63.100 -0.017 0.000 0.770 716 P CB 0.496 32.182 31.700 -0.022 0.000 0.836 717 N N 2.362 121.035 118.700 -0.044 0.000 2.492 717 N HA 0.003 4.743 4.740 -0.000 0.000 0.262 717 N C 1.211 176.679 175.510 -0.069 0.000 1.202 717 N CA 0.219 53.213 53.050 -0.093 0.000 0.926 717 N CB 0.432 38.770 38.487 -0.248 0.000 1.078 717 N HN 0.233 nan 8.380 nan 0.000 0.454 718 R N 1.132 121.609 120.500 -0.038 0.000 2.096 718 R HA -0.021 4.318 4.340 -0.000 0.000 0.235 718 R C 0.082 176.360 176.300 -0.037 0.000 1.127 718 R CA 0.878 56.969 56.100 -0.015 0.000 0.968 718 R CB 0.082 30.397 30.300 0.025 0.000 0.861 718 R HN 0.612 nan 8.270 nan 0.000 0.440 719 E N 1.313 121.467 120.200 -0.076 0.000 2.343 719 E HA 0.029 4.379 4.350 -0.000 0.000 0.269 719 E C -0.551 175.988 176.600 -0.101 0.000 1.047 719 E CA 0.022 56.380 56.400 -0.071 0.000 0.874 719 E CB 0.958 30.623 29.700 -0.058 0.000 1.033 719 E HN 0.170 nan 8.360 nan 0.000 0.409 720 E N 1.562 121.728 120.200 -0.056 0.000 1.999 720 E HA 0.037 4.387 4.350 -0.000 0.000 0.296 720 E C 0.106 176.658 176.600 -0.079 0.000 1.187 720 E CA -0.133 56.227 56.400 -0.066 0.000 1.229 720 E CB -0.173 29.505 29.700 -0.038 0.000 1.131 720 E HN 0.378 nan 8.360 nan 0.000 0.478 721 T N -1.252 113.222 114.554 -0.134 0.000 2.847 721 T HA 0.244 4.594 4.350 -0.000 0.000 0.279 721 T C 0.521 175.123 174.700 -0.162 0.000 0.984 721 T CA -0.982 61.027 62.100 -0.151 0.000 0.988 721 T CB 1.028 69.769 68.868 -0.210 0.000 1.040 721 T HN 0.172 nan 8.240 nan 0.000 0.528 722 I N 2.073 122.539 120.570 -0.174 0.000 2.845 722 I HA 0.106 4.276 4.170 -0.000 0.000 0.290 722 I C 0.031 176.155 176.117 0.012 0.000 1.202 722 I CA -0.266 60.952 61.300 -0.136 0.000 1.406 722 I CB -1.483 36.465 38.000 -0.087 0.000 1.383 722 I HN 0.744 nan 8.210 nan 0.000 0.549 723 F N 6.934 126.825 119.950 -0.097 0.000 3.019 723 F HA -0.322 4.205 4.527 -0.000 0.000 0.259 723 F C 1.077 176.829 175.800 -0.081 0.000 0.976 723 F CA 0.814 58.767 58.000 -0.078 0.000 0.876 723 F CB -1.164 37.795 39.000 -0.070 0.000 0.784 723 F HN 0.638 nan 8.300 nan 0.000 0.786 724 R N -2.079 118.415 120.500 -0.010 0.000 3.610 724 R HA -0.228 4.112 4.340 -0.000 0.000 0.274 724 R C 0.566 176.838 176.300 -0.047 0.000 1.123 724 R CA 0.992 57.062 56.100 -0.051 0.000 0.747 724 R CB -2.651 27.630 30.300 -0.032 0.000 1.149 724 R HN 0.628 nan 8.270 nan 0.000 0.471 725 S N -0.575 115.108 115.700 -0.029 0.000 2.645 725 S HA 0.619 5.089 4.470 -0.000 0.000 0.266 725 S C 0.280 174.840 174.600 -0.067 0.000 1.258 725 S CA -0.678 57.513 58.200 -0.015 0.000 0.990 725 S CB 2.335 65.547 63.200 0.021 0.000 0.967 725 S HN 0.196 nan 8.310 nan 0.000 0.556 726 K N 0.120 120.534 120.400 0.023 0.000 2.328 726 K HA 0.643 4.962 4.320 -0.000 0.000 0.246 726 K C -0.474 176.242 176.600 0.193 0.000 0.955 726 K CA -0.898 55.472 56.287 0.139 0.000 0.817 726 K CB 2.081 34.712 32.500 0.218 0.000 1.208 726 K HN 0.819 nan 8.250 nan 0.000 0.432 727 A N 1.139 124.128 122.820 0.282 0.000 2.477 727 A HA 0.156 4.476 4.320 -0.000 0.000 0.246 727 A C 0.452 178.083 177.584 0.080 0.000 1.078 727 A CA -0.096 52.009 52.037 0.114 0.000 0.770 727 A CB 0.452 19.471 19.000 0.031 0.000 1.011 727 A HN 0.496 nan 8.150 nan 0.000 0.494 728 V N 2.878 122.811 119.914 0.030 0.000 3.276 728 V HA 0.227 4.347 4.120 -0.000 0.000 0.319 728 V C 1.548 177.605 176.094 -0.061 0.000 1.476 728 V CA 0.933 63.252 62.300 0.032 0.000 1.097 728 V CB 0.070 31.934 31.823 0.069 0.000 0.988 728 V HN 1.095 nan 8.190 nan 0.000 0.473 729 G N 0.089 108.831 108.800 -0.097 0.000 2.404 729 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.215 729 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.215 729 G C 1.198 176.012 174.900 -0.143 0.000 1.174 729 G CA 1.273 46.309 45.100 -0.108 0.000 0.780 729 G HN 0.569 nan 8.290 nan 0.000 0.537 730 E N 0.076 120.096 120.200 -0.301 0.000 2.175 730 E HA 0.044 4.393 4.350 -0.000 0.000 0.195 730 E C -0.301 175.995 176.600 -0.506 0.000 0.934 730 E CA -0.067 56.071 56.400 -0.437 0.000 0.870 730 E CB 0.144 29.422 29.700 -0.704 0.000 0.838 730 E HN 0.208 nan 8.360 nan 0.000 0.474 731 P HA -0.169 nan 4.420 nan 0.000 0.218 731 P C -1.718 175.575 177.300 -0.011 0.000 1.154 731 P CA 2.034 64.924 63.100 -0.351 0.000 0.872 731 P CB -0.916 30.753 31.700 -0.050 0.000 0.790 732 P HA -0.125 nan 4.420 nan 0.000 0.222 732 P C 1.361 178.701 177.300 0.067 0.000 1.147 732 P CA 0.743 63.765 63.100 -0.129 0.000 0.790 732 P CB -0.623 30.875 31.700 -0.336 0.000 0.780 733 F N 0.485 120.402 119.950 -0.054 0.000 2.154 733 F HA -0.213 4.314 4.527 -0.000 0.000 0.301 733 F C 1.601 177.428 175.800 0.044 0.000 1.087 733 F CA 1.403 59.394 58.000 -0.016 0.000 1.274 733 F CB -0.644 38.309 39.000 -0.080 0.000 1.009 733 F HN -0.229 nan 8.300 nan 0.000 0.485 734 L N 0.055 121.433 121.223 0.258 0.000 2.362 734 L HA -0.143 4.197 4.340 -0.000 0.000 0.219 734 L C 1.964 178.938 176.870 0.173 0.000 1.134 734 L CA 1.024 56.010 54.840 0.243 0.000 0.807 734 L CB -0.818 41.411 42.059 0.283 0.000 0.927 734 L HN 0.196 nan 8.230 nan 0.000 0.447 735 L N -0.988 120.334 121.223 0.166 0.000 2.362 735 L HA -0.083 4.257 4.340 -0.000 0.000 0.219 735 L C 2.398 179.425 176.870 0.260 0.000 1.134 735 L CA 0.867 55.843 54.840 0.226 0.000 0.807 735 L CB -0.973 41.244 42.059 0.264 0.000 0.927 735 L HN 0.374 nan 8.230 nan 0.000 0.447 736 G N 0.102 108.919 108.800 0.029 0.000 2.509 736 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.218 736 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.218 736 G C 1.545 176.423 174.900 -0.038 0.000 1.124 736 G CA 0.213 45.183 45.100 -0.216 0.000 0.776 736 G HN 0.342 nan 8.290 nan 0.000 0.547 737 I N 1.835 122.455 120.570 0.083 0.000 2.493 737 I HA -0.184 3.985 4.170 -0.000 0.000 0.254 737 I C 2.945 179.168 176.117 0.175 0.000 1.160 737 I CA 1.298 62.678 61.300 0.134 0.000 1.445 737 I CB -0.069 38.032 38.000 0.168 0.000 1.086 737 I HN 0.285 nan 8.210 nan 0.000 0.433 738 S N 0.967 116.774 115.700 0.178 0.000 2.474 738 S HA -0.033 4.437 4.470 -0.000 0.000 0.235 738 S C 2.083 176.777 174.600 0.156 0.000 0.997 738 S CA 0.684 58.988 58.200 0.173 0.000 0.949 738 S CB -0.278 63.022 63.200 0.168 0.000 0.766 738 S HN 0.404 nan 8.310 nan 0.000 0.517 739 A N 1.084 123.990 122.820 0.143 0.000 1.930 739 A HA 0.205 4.525 4.320 -0.000 0.000 0.215 739 A C 1.844 179.476 177.584 0.080 0.000 1.176 739 A CA 0.910 52.998 52.037 0.084 0.000 0.632 739 A CB -0.906 18.085 19.000 -0.016 0.000 0.819 739 A HN 0.543 nan 8.150 nan 0.000 0.445 740 F N 0.035 119.955 119.950 -0.049 0.000 2.186 740 F HA -0.055 4.472 4.527 -0.000 0.000 0.299 740 F C 1.673 177.469 175.800 -0.007 0.000 1.090 740 F CA 1.126 59.090 58.000 -0.059 0.000 1.307 740 F CB -0.043 38.897 39.000 -0.100 0.000 1.019 740 F HN 0.125 nan 8.300 nan 0.000 0.489 741 L N 0.042 121.318 121.223 0.089 0.000 2.156 741 L HA 0.031 4.371 4.340 -0.000 0.000 0.208 741 L C 2.631 179.535 176.870 0.056 0.000 1.095 741 L CA 1.557 56.435 54.840 0.064 0.000 0.770 741 L CB -1.694 40.449 42.059 0.139 0.000 0.914 741 L HN 0.190 nan 8.230 nan 0.000 0.439 742 A N -0.890 121.951 122.820 0.035 0.000 1.873 742 A HA -0.167 4.153 4.320 -0.000 0.000 0.215 742 A C 2.182 179.722 177.584 -0.073 0.000 1.186 742 A CA 1.345 53.385 52.037 0.005 0.000 0.616 742 A CB -0.774 18.240 19.000 0.025 0.000 0.823 742 A HN 0.264 nan 8.150 nan 0.000 0.442 743 L N -0.193 120.963 121.223 -0.112 0.000 2.013 743 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 743 L C 2.444 179.168 176.870 -0.243 0.000 1.073 743 L CA 2.654 57.388 54.840 -0.178 0.000 0.753 743 L CB -1.371 40.561 42.059 -0.212 0.000 0.890 743 L HN 0.776 nan 8.230 nan 0.000 0.432 744 H N -1.170 117.656 119.070 -0.405 0.000 2.321 744 H HA -0.194 4.362 4.556 -0.000 0.000 0.300 744 H C 2.008 177.182 175.328 -0.258 0.000 1.087 744 H CA 2.139 57.938 56.048 -0.415 0.000 1.319 744 H CB -0.286 29.179 29.762 -0.495 0.000 1.379 744 H HN 0.422 nan 8.280 nan 0.000 0.501 745 D N -0.143 119.968 120.400 -0.482 0.000 2.149 745 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 745 D C 2.223 178.346 176.300 -0.294 0.000 0.990 745 D CA 1.561 55.313 54.000 -0.412 0.000 0.839 745 D CB -0.469 40.253 40.800 -0.130 0.000 0.948 745 D HN 0.561 nan 8.370 nan 0.000 0.460 746 A N -0.524 122.166 122.820 -0.216 0.000 1.933 746 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 746 A C 2.538 180.025 177.584 -0.161 0.000 1.175 746 A CA 1.377 53.329 52.037 -0.143 0.000 0.628 746 A CB -0.929 18.008 19.000 -0.105 0.000 0.814 746 A HN 0.498 nan 8.150 nan 0.000 0.444 747 C N -0.971 118.189 119.300 -0.233 0.000 2.432 747 C HA 0.062 4.522 4.460 -0.000 0.000 0.277 747 C C 3.193 178.056 174.990 -0.212 0.000 1.249 747 C CA 0.759 59.647 59.018 -0.217 0.000 1.725 747 C CB -1.342 26.241 27.740 -0.261 0.000 2.028 747 C HN 0.703 nan 8.230 nan 0.000 0.477 748 A N 0.116 122.749 122.820 -0.313 0.000 2.225 748 A HA 0.209 4.528 4.320 -0.000 0.000 0.215 748 A C 2.022 179.525 177.584 -0.135 0.000 1.164 748 A CA 1.562 53.459 52.037 -0.232 0.000 0.710 748 A CB -0.462 18.351 19.000 -0.313 0.000 0.780 748 A HN 0.629 nan 8.150 nan 0.000 0.473 749 A N -2.171 120.575 122.820 -0.123 0.000 2.251 749 A HA 0.216 4.535 4.320 -0.000 0.000 0.209 749 A C 1.543 179.096 177.584 -0.051 0.000 1.187 749 A CA 0.863 52.857 52.037 -0.071 0.000 0.823 749 A CB -0.674 18.297 19.000 -0.049 0.000 0.846 749 A HN 0.547 nan 8.150 nan 0.000 0.486 750 C N -1.426 117.839 119.300 -0.058 0.000 2.912 750 C HA 0.563 5.023 4.460 -0.000 0.000 0.274 750 C C 1.368 176.341 174.990 -0.028 0.000 1.248 750 C CA 0.220 59.214 59.018 -0.041 0.000 1.694 750 C CB -0.609 27.105 27.740 -0.043 0.000 2.024 750 C HN 0.740 nan 8.230 nan 0.000 0.605 751 G N 0.492 109.273 108.800 -0.032 0.000 2.356 751 G HA2 0.385 4.345 3.960 -0.000 0.000 0.294 751 G HA3 0.385 4.345 3.960 -0.000 0.000 0.294 751 G C -2.624 172.243 174.900 -0.056 0.000 1.423 751 G CA -0.186 44.898 45.100 -0.028 0.000 0.806 751 G HN -0.211 nan 8.290 nan 0.000 0.527 752 P HA 0.106 nan 4.420 nan 0.000 0.249 752 P C -0.077 177.112 177.300 -0.185 0.000 1.229 752 P CA 0.407 63.396 63.100 -0.185 0.000 0.788 752 P CB 0.072 31.609 31.700 -0.270 0.000 1.072 753 H N -0.514 118.586 119.070 0.049 0.000 2.487 753 H HA 0.064 4.620 4.556 -0.000 0.000 0.333 753 H C 0.023 175.425 175.328 0.124 0.000 1.114 753 H CA -0.750 55.351 56.048 0.089 0.000 1.310 753 H CB 0.757 30.556 29.762 0.061 0.000 1.462 753 H HN 0.204 nan 8.280 nan 0.000 0.516 754 W N 6.127 127.494 121.300 0.112 0.000 2.505 754 W HA -0.000 4.660 4.660 -0.000 0.000 0.332 754 W C -2.027 174.512 176.519 0.033 0.000 1.434 754 W CA -1.320 56.040 57.345 0.026 0.000 1.320 754 W CB 0.401 29.845 29.460 -0.027 0.000 1.363 754 W HN 0.538 nan 8.180 nan 0.000 0.565 755 P HA -0.166 nan 4.420 nan 0.000 0.221 755 P C 0.076 177.061 177.300 -0.525 0.000 1.150 755 P CA 1.193 64.042 63.100 -0.418 0.000 0.800 755 P CB 0.026 31.489 31.700 -0.394 0.000 0.787 756 D N -0.943 118.808 120.400 -1.082 0.000 2.810 756 D HA -0.180 4.460 4.640 -0.000 0.000 0.224 756 D C -0.433 175.713 176.300 -0.255 0.000 1.222 756 D CA 0.243 53.873 54.000 -0.618 0.000 0.698 756 D CB -1.016 39.724 40.800 -0.100 0.000 0.961 756 D HN 0.013 nan 8.370 nan 0.000 0.403 757 L N 1.700 122.738 121.223 -0.309 0.000 2.426 757 L HA 0.235 4.575 4.340 -0.000 0.000 0.271 757 L C 0.389 177.337 176.870 0.131 0.000 1.169 757 L CA 0.395 55.148 54.840 -0.145 0.000 0.836 757 L CB 0.948 42.812 42.059 -0.325 0.000 1.112 757 L HN 0.109 nan 8.230 nan 0.000 0.465 758 Q N 3.368 123.306 119.800 0.230 0.000 2.241 758 Q HA 0.693 5.033 4.340 -0.000 0.000 0.262 758 Q C -0.852 175.397 176.000 0.416 0.000 1.014 758 Q CA -0.658 55.367 55.803 0.370 0.000 0.885 758 Q CB 1.673 30.540 28.738 0.215 0.000 1.311 758 Q HN 0.807 nan 8.270 nan 0.000 0.461 759 A N 2.263 125.202 122.820 0.198 0.000 2.304 759 A HA 0.663 4.982 4.320 -0.000 0.000 0.323 759 A C -2.261 175.259 177.584 -0.106 0.000 1.195 759 A CA -1.479 50.479 52.037 -0.131 0.000 0.826 759 A CB 0.455 19.111 19.000 -0.573 0.000 1.184 759 A HN 0.380 nan 8.150 nan 0.000 0.496 760 P HA 0.298 nan 4.420 nan 0.000 0.278 760 P C -0.246 177.077 177.300 0.038 0.000 1.238 760 P CA -0.140 62.889 63.100 -0.118 0.000 0.794 760 P CB 1.283 32.907 31.700 -0.126 0.000 0.955 761 A N 2.356 125.254 122.820 0.131 0.000 3.037 761 A HA 0.313 4.633 4.320 -0.000 0.000 0.272 761 A C 0.978 178.569 177.584 0.011 0.000 1.723 761 A CA -0.200 51.904 52.037 0.112 0.000 1.413 761 A CB -1.509 17.565 19.000 0.122 0.000 1.112 761 A HN 0.600 nan 8.150 nan 0.000 0.606 762 T N -1.113 113.436 114.554 -0.008 0.000 2.813 762 T HA 0.307 4.657 4.350 -0.000 0.000 0.297 762 T C -1.535 173.146 174.700 -0.032 0.000 1.036 762 T CA -1.266 60.814 62.100 -0.034 0.000 1.044 762 T CB 0.523 69.368 68.868 -0.038 0.000 0.993 762 T HN 0.166 nan 8.240 nan 0.000 0.535 763 P HA -0.189 nan 4.420 nan 0.000 0.218 763 P C 1.473 178.756 177.300 -0.029 0.000 1.154 763 P CA 1.479 64.558 63.100 -0.035 0.000 0.872 763 P CB 0.064 31.743 31.700 -0.034 0.000 0.790 764 E N -0.791 119.395 120.200 -0.024 0.000 2.031 764 E HA -0.203 4.146 4.350 -0.000 0.000 0.193 764 E C 2.020 178.611 176.600 -0.015 0.000 0.994 764 E CA 1.350 57.740 56.400 -0.017 0.000 0.800 764 E CB -0.595 29.099 29.700 -0.011 0.000 0.752 764 E HN 0.070 nan 8.360 nan 0.000 0.447 765 A N 0.323 123.137 122.820 -0.009 0.000 1.978 765 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 765 A C 2.368 179.936 177.584 -0.026 0.000 1.170 765 A CA 1.443 53.480 52.037 -0.000 0.000 0.636 765 A CB -0.560 18.456 19.000 0.026 0.000 0.810 765 A HN 0.233 nan 8.150 nan 0.000 0.448 766 V N -0.435 119.455 119.914 -0.040 0.000 2.270 766 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 766 V C 2.455 178.511 176.094 -0.063 0.000 1.043 766 V CA 1.878 64.138 62.300 -0.067 0.000 1.014 766 V CB -0.765 31.018 31.823 -0.065 0.000 0.645 766 V HN 0.592 nan 8.190 nan 0.000 0.447 767 L N 0.900 122.096 121.223 -0.045 0.000 2.083 767 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 767 L C 2.414 179.261 176.870 -0.038 0.000 1.083 767 L CA 2.277 57.094 54.840 -0.039 0.000 0.752 767 L CB -0.960 41.082 42.059 -0.028 0.000 0.899 767 L HN 0.232 nan 8.230 nan 0.000 0.433 768 A N -0.448 122.351 122.820 -0.034 0.000 1.883 768 A HA -0.134 4.185 4.320 -0.000 0.000 0.217 768 A C 2.446 180.001 177.584 -0.048 0.000 1.186 768 A CA 1.953 53.972 52.037 -0.030 0.000 0.624 768 A CB -1.190 17.800 19.000 -0.016 0.000 0.822 768 A HN 0.563 nan 8.150 nan 0.000 0.444 769 A N -0.832 121.945 122.820 -0.072 0.000 1.969 769 A HA 0.094 4.414 4.320 -0.000 0.000 0.218 769 A C 2.205 179.723 177.584 -0.110 0.000 1.169 769 A CA 1.513 53.480 52.037 -0.115 0.000 0.635 769 A CB -0.791 18.110 19.000 -0.163 0.000 0.810 769 A HN 0.350 nan 8.150 nan 0.000 0.445 770 V N 0.347 120.208 119.914 -0.088 0.000 2.287 770 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 770 V C 2.664 178.731 176.094 -0.046 0.000 1.053 770 V CA 2.230 64.488 62.300 -0.070 0.000 1.027 770 V CB -0.732 31.057 31.823 -0.057 0.000 0.646 770 V HN 0.524 nan 8.190 nan 0.000 0.447 771 R N -0.479 119.997 120.500 -0.039 0.000 2.115 771 R HA -0.054 4.286 4.340 -0.000 0.000 0.226 771 R C 2.470 178.755 176.300 -0.025 0.000 1.100 771 R CA 0.934 57.018 56.100 -0.026 0.000 0.980 771 R CB -0.313 29.972 30.300 -0.024 0.000 0.875 771 R HN 0.509 nan 8.270 nan 0.000 0.445 772 R N 0.466 120.945 120.500 -0.036 0.000 2.066 772 R HA -0.043 4.296 4.340 -0.000 0.000 0.232 772 R C 2.353 178.660 176.300 0.011 0.000 1.131 772 R CA 1.400 57.479 56.100 -0.036 0.000 0.955 772 R CB -0.351 29.919 30.300 -0.049 0.000 0.851 772 R HN 0.158 nan 8.270 nan 0.000 0.432 773 A N 1.360 124.186 122.820 0.010 0.000 1.902 773 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 773 A C 1.780 179.435 177.584 0.118 0.000 1.181 773 A CA 1.369 53.444 52.037 0.064 0.000 0.623 773 A CB -0.321 18.660 19.000 -0.032 0.000 0.818 773 A HN 0.318 nan 8.150 nan 0.000 0.443 774 E N -1.425 118.811 120.200 0.060 0.000 2.478 774 E HA 0.162 4.512 4.350 -0.000 0.000 0.198 774 E C 1.133 177.798 176.600 0.108 0.000 1.046 774 E CA 0.285 56.724 56.400 0.065 0.000 0.870 774 E CB -0.240 29.470 29.700 0.017 0.000 0.818 774 E HN 0.772 nan 8.360 nan 0.000 0.527 775 G N 2.082 110.940 108.800 0.097 0.000 2.160 775 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.251 775 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.251 775 G C -0.001 174.877 174.900 -0.036 0.000 1.008 775 G CA 0.017 45.103 45.100 -0.023 0.000 0.724 775 G HN 0.170 nan 8.290 nan 0.000 0.514 776 R N 0.308 120.796 120.500 -0.019 0.000 2.287 776 R HA 0.593 4.933 4.340 -0.000 0.000 0.327 776 R C 1.079 177.362 176.300 -0.028 0.000 1.109 776 R CA 0.244 56.333 56.100 -0.019 0.000 1.013 776 R CB 0.664 30.958 30.300 -0.010 0.000 1.126 776 R HN 1.558 nan 8.270 nan 0.000 0.503 777 A N 0.000 122.801 122.820 -0.032 0.000 2.254 777 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 777 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 777 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 777 A HN 0.000 nan 8.150 nan 0.000 0.486