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 7r1r_1_C DATA FIRST_RESID 1 DATA SEQUENCE MNQNLLVTKR DGSTERINLD KIHRVLDWAA EGLHNVSISQ VELRSHIQFY DATA SEQUENCE DGIKTSDIHE TIIKAAADLI SRDAPDYQYL AARLAIFHLR KKAYGQFEPP DATA SEQUENCE ALYDHVVKMV EMGKYDNHLL EDYTEEEFKQ MDTFIDHDRD MTFSYAAVKQ DATA SEQUENCE LEGKYLVQNR VTGEIYESAQ FLYILVAACL FSNYPRETRL QYVKRFYDAV DATA SEQUENCE STFKISLPTP IMSGVRTPTR QFSScVLIEC GDSLDSINAT SSAIVKYVSQ DATA SEQUENCE RAGIGINAGR IRALGSPIRG GEAFHTGCIP FYKHFQTAVK SCSQGGVRGG DATA SEQUENCE AATLFYPMWH LEVESLLVLK NNRGVEGNRV RHMDYGVQIN KLMYTRLLKG DATA SEQUENCE EDITLFSPSD VPGLYDAFFA DQEEFERLYT KYEKDDSIRK QRVKAVELFS DATA SEQUENCE LMMQERASTG RIYIQNVDHC NTHSPFDPAI APVRQSNLCL QIALPTKPLN DATA SEQUENCE DVNDENGEIA LcTLSAFNLG AINNLDELEE LAILAVRALD ALLDYQDYPI DATA SEQUENCE PAAKRGAMGR RTLGIGVINF AYYLAKHGKR YSDGSANNLT HKTFEAIQYY DATA SEQUENCE LLKASNELAK EQGACPWFNE TTYAKGILPI DTYKKDLDTI ANEPLHYDWE DATA SEQUENCE ALRESIKTHG LRNSTLSALM PSETSSQISN ATNGIEPPRG YVSIKASKDG DATA SEQUENCE ILRQVVPDYE HLHDAYELLW EMPGNDGYLQ LVGIMQKFID QSISANTNYD DATA SEQUENCE PSRFPSGKVP MQQLLKDLLT AYKFGVKTLY YQNTRDGA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.304 55.300 0.006 0.000 0.988 1 M CB 0.000 32.603 32.600 0.005 0.000 1.302 2 N N 1.205 119.908 118.700 0.006 0.000 2.542 2 N HA 0.126 4.865 4.740 -0.000 0.000 0.253 2 N C -0.826 174.687 175.510 0.005 0.000 1.461 2 N CA 0.011 53.064 53.050 0.005 0.000 1.115 2 N CB 0.832 39.321 38.487 0.003 0.000 1.439 2 N HN 0.318 nan 8.380 nan 0.000 0.533 3 Q N 0.445 120.249 119.800 0.008 0.000 2.613 3 Q HA 0.275 4.615 4.340 -0.000 0.000 0.228 3 Q C 0.992 176.998 176.000 0.009 0.000 1.318 3 Q CA 0.004 55.813 55.803 0.010 0.000 0.907 3 Q CB -0.019 28.727 28.738 0.013 0.000 1.593 3 Q HN 0.136 nan 8.270 nan 0.000 0.559 4 N N 2.045 120.748 118.700 0.005 0.000 2.124 4 N HA 0.069 4.809 4.740 -0.000 0.000 0.189 4 N C -0.066 175.440 175.510 -0.008 0.000 1.050 4 N CA 0.484 53.533 53.050 -0.002 0.000 0.848 4 N CB 0.072 38.555 38.487 -0.007 0.000 1.027 4 N HN 0.455 nan 8.380 nan 0.000 0.435 5 L N 0.520 121.736 121.223 -0.011 0.000 1.545 5 L HA -0.106 4.234 4.340 -0.000 0.000 0.629 5 L C -1.334 175.501 176.870 -0.057 0.000 1.008 5 L CA -0.280 54.544 54.840 -0.028 0.000 1.322 5 L CB -0.538 41.502 42.059 -0.031 0.000 2.157 5 L HN 0.140 nan 8.230 nan 0.000 1.048 6 L N 4.352 125.543 121.223 -0.053 0.000 2.260 6 L HA 0.466 4.806 4.340 -0.000 0.000 0.289 6 L C 0.444 177.251 176.870 -0.105 0.000 1.057 6 L CA -0.746 54.056 54.840 -0.063 0.000 0.811 6 L CB 1.183 43.220 42.059 -0.036 0.000 1.184 6 L HN 0.178 nan 8.230 nan 0.000 0.429 7 V N 2.218 122.055 119.914 -0.128 0.000 2.649 7 V HA 0.227 4.347 4.120 -0.000 0.000 0.292 7 V C 0.717 176.739 176.094 -0.120 0.000 1.055 7 V CA -0.281 61.915 62.300 -0.174 0.000 1.023 7 V CB 1.583 33.293 31.823 -0.188 0.000 0.992 7 V HN 0.868 nan 8.190 nan 0.000 0.480 8 T N 3.899 118.382 114.554 -0.119 0.000 2.797 8 T HA 0.510 4.860 4.350 -0.000 0.000 0.279 8 T C -0.402 174.257 174.700 -0.068 0.000 0.991 8 T CA -0.852 61.205 62.100 -0.072 0.000 0.979 8 T CB 1.035 69.877 68.868 -0.044 0.000 0.943 8 T HN 0.608 nan 8.240 nan 0.000 0.444 9 K N 2.350 122.723 120.400 -0.044 0.000 2.177 9 K HA 0.444 4.764 4.320 -0.000 0.000 0.238 9 K C -0.035 176.556 176.600 -0.015 0.000 1.015 9 K CA -1.087 55.181 56.287 -0.031 0.000 0.922 9 K CB 0.670 33.160 32.500 -0.018 0.000 1.127 9 K HN 0.549 nan 8.250 nan 0.000 0.469 10 R N 1.945 122.443 120.500 -0.004 0.000 2.457 10 R HA -0.023 4.317 4.340 -0.000 0.000 0.335 10 R C -0.821 175.480 176.300 0.002 0.000 1.003 10 R CA 0.164 56.266 56.100 0.003 0.000 1.003 10 R CB -0.811 29.494 30.300 0.009 0.000 0.950 10 R HN 0.448 nan 8.270 nan 0.000 0.428 11 D N 2.629 123.029 120.400 0.001 0.000 3.421 11 D HA -0.192 4.448 4.640 -0.000 0.000 0.191 11 D C 0.863 177.164 176.300 0.001 0.000 1.267 11 D CA 1.809 55.809 54.000 0.001 0.000 0.702 11 D CB -0.581 40.221 40.800 0.003 0.000 0.925 11 D HN 0.902 nan 8.370 nan 0.000 0.424 12 G N -0.615 108.184 108.800 -0.002 0.000 3.934 12 G HA2 0.181 4.141 3.960 -0.000 0.000 0.212 12 G HA3 0.181 4.141 3.960 -0.000 0.000 0.212 12 G C 0.804 175.700 174.900 -0.007 0.000 1.126 12 G CA 0.757 45.855 45.100 -0.003 0.000 0.877 12 G HN 0.390 nan 8.290 nan 0.000 0.556 13 S N 0.312 116.007 115.700 -0.009 0.000 3.898 13 S HA -0.281 4.189 4.470 -0.000 0.000 0.549 13 S C 1.229 175.818 174.600 -0.019 0.000 2.085 13 S CA 1.739 59.931 58.200 -0.013 0.000 4.077 13 S CB -1.727 61.469 63.200 -0.007 0.000 1.039 13 S HN 1.623 nan 8.310 nan 0.000 0.777 14 T N 1.812 116.355 114.554 -0.018 0.000 2.882 14 T HA 0.304 4.653 4.350 -0.000 0.000 0.330 14 T C 0.035 174.720 174.700 -0.025 0.000 1.075 14 T CA 0.933 63.020 62.100 -0.022 0.000 1.129 14 T CB 0.135 68.995 68.868 -0.014 0.000 1.071 14 T HN 0.861 nan 8.240 nan 0.000 0.531 15 E N 0.337 120.518 120.200 -0.032 0.000 2.500 15 E HA 0.214 4.563 4.350 -0.000 0.000 0.288 15 E C -0.919 175.657 176.600 -0.040 0.000 1.147 15 E CA -0.891 55.490 56.400 -0.031 0.000 0.916 15 E CB 1.073 30.755 29.700 -0.030 0.000 1.181 15 E HN 0.674 nan 8.360 nan 0.000 0.433 16 R N 1.624 122.105 120.500 -0.032 0.000 2.822 16 R HA 0.302 4.641 4.340 -0.000 0.000 0.277 16 R C 0.521 176.790 176.300 -0.051 0.000 1.102 16 R CA -0.321 55.758 56.100 -0.035 0.000 1.207 16 R CB 0.265 30.552 30.300 -0.022 0.000 1.139 16 R HN 0.386 nan 8.270 nan 0.000 0.557 17 I N 1.565 122.102 120.570 -0.055 0.000 2.638 17 I HA -0.002 4.167 4.170 -0.000 0.000 0.286 17 I C -0.265 175.827 176.117 -0.043 0.000 1.088 17 I CA 0.122 61.378 61.300 -0.073 0.000 1.397 17 I CB 0.779 38.735 38.000 -0.073 0.000 1.414 17 I HN 0.537 nan 8.210 nan 0.000 0.566 18 N N 6.914 125.589 118.700 -0.042 0.000 2.804 18 N HA 0.245 4.985 4.740 -0.000 0.000 0.251 18 N C 0.586 176.110 175.510 0.024 0.000 1.250 18 N CA -0.268 52.781 53.050 -0.002 0.000 0.820 18 N CB 0.668 39.161 38.487 0.010 0.000 1.156 18 N HN 0.506 nan 8.380 nan 0.000 0.512 19 L N 0.017 121.261 121.223 0.036 0.000 2.376 19 L HA 0.011 4.351 4.340 -0.000 0.000 0.219 19 L C 1.057 178.012 176.870 0.142 0.000 1.133 19 L CA 0.661 55.559 54.840 0.097 0.000 0.816 19 L CB 0.141 42.261 42.059 0.101 0.000 0.933 19 L HN 0.260 nan 8.230 nan 0.000 0.449 20 D N 0.102 120.558 120.400 0.093 0.000 2.183 20 D HA -0.110 4.530 4.640 -0.000 0.000 0.205 20 D C 2.105 178.475 176.300 0.117 0.000 0.962 20 D CA 0.753 54.812 54.000 0.100 0.000 0.849 20 D CB 0.227 41.058 40.800 0.051 0.000 0.978 20 D HN 0.156 nan 8.370 nan 0.000 0.488 21 K N 0.574 121.027 120.400 0.087 0.000 2.032 21 K HA -0.093 4.227 4.320 -0.000 0.000 0.209 21 K C 2.253 178.906 176.600 0.088 0.000 1.048 21 K CA 0.744 57.076 56.287 0.075 0.000 0.927 21 K CB -0.075 32.465 32.500 0.067 0.000 0.712 21 K HN 0.105 nan 8.250 nan 0.000 0.441 22 I N -0.238 120.408 120.570 0.126 0.000 2.127 22 I HA -0.329 3.841 4.170 -0.000 0.000 0.241 22 I C 2.459 178.672 176.117 0.161 0.000 1.075 22 I CA 1.639 63.036 61.300 0.162 0.000 1.334 22 I CB -0.519 37.626 38.000 0.243 0.000 1.040 22 I HN 0.317 nan 8.210 nan 0.000 0.405 23 H N 1.312 120.447 119.070 0.107 0.000 2.289 23 H HA -0.170 4.386 4.556 -0.000 0.000 0.296 23 H C 2.457 177.812 175.328 0.046 0.000 1.091 23 H CA 1.987 58.080 56.048 0.075 0.000 1.274 23 H CB -0.005 29.798 29.762 0.067 0.000 1.364 23 H HN 0.077 nan 8.280 nan 0.000 0.490 24 R N -0.450 120.115 120.500 0.109 0.000 2.112 24 R HA -0.163 4.176 4.340 -0.000 0.000 0.242 24 R C 2.439 178.724 176.300 -0.025 0.000 1.137 24 R CA 1.904 58.027 56.100 0.037 0.000 0.944 24 R CB -0.625 29.698 30.300 0.039 0.000 0.857 24 R HN 0.232 nan 8.270 nan 0.000 0.435 25 V N 1.531 121.399 119.914 -0.077 0.000 2.282 25 V HA -0.275 3.844 4.120 -0.000 0.000 0.249 25 V C 2.389 178.488 176.094 0.007 0.000 1.057 25 V CA 1.857 64.059 62.300 -0.162 0.000 1.032 25 V CB -0.572 31.036 31.823 -0.359 0.000 0.645 25 V HN 0.281 nan 8.190 nan 0.000 0.447 26 L N -0.045 121.152 121.223 -0.044 0.000 1.994 26 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 26 L C 2.478 179.280 176.870 -0.114 0.000 1.071 26 L CA 2.119 56.919 54.840 -0.066 0.000 0.745 26 L CB -0.718 41.274 42.059 -0.113 0.000 0.892 26 L HN 0.380 nan 8.230 nan 0.000 0.431 27 D N -0.741 119.540 120.400 -0.199 0.000 2.154 27 D HA -0.308 4.332 4.640 -0.000 0.000 0.190 27 D C 1.795 178.062 176.300 -0.055 0.000 1.003 27 D CA 1.774 55.675 54.000 -0.165 0.000 0.849 27 D CB -0.228 40.478 40.800 -0.157 0.000 0.942 27 D HN 0.376 nan 8.370 nan 0.000 0.446 28 W N 1.447 122.648 121.300 -0.164 0.000 2.311 28 W HA -0.224 4.436 4.660 -0.000 0.000 0.326 28 W C 2.412 178.867 176.519 -0.107 0.000 1.239 28 W CA 2.948 60.210 57.345 -0.138 0.000 1.258 28 W CB -1.097 28.250 29.460 -0.189 0.000 1.165 28 W HN 0.033 nan 8.180 nan 0.000 0.466 29 A N 0.987 123.509 122.820 -0.496 0.000 1.971 29 A HA -0.199 4.120 4.320 -0.000 0.000 0.222 29 A C 2.128 179.441 177.584 -0.451 0.000 1.182 29 A CA 3.217 54.807 52.037 -0.745 0.000 0.649 29 A CB -1.698 17.139 19.000 -0.272 0.000 0.818 29 A HN 0.719 nan 8.150 nan 0.000 0.458 30 A N -1.002 121.648 122.820 -0.283 0.000 2.119 30 A HA 0.095 4.415 4.320 -0.000 0.000 0.217 30 A C 0.843 178.282 177.584 -0.242 0.000 1.153 30 A CA 0.441 52.341 52.037 -0.229 0.000 0.692 30 A CB -0.274 18.616 19.000 -0.182 0.000 0.799 30 A HN 0.368 nan 8.150 nan 0.000 0.458 31 E N -0.057 119.987 120.200 -0.260 0.000 3.025 31 E HA 0.149 4.499 4.350 -0.000 0.000 0.248 31 E C 1.291 177.766 176.600 -0.208 0.000 0.938 31 E CA 1.053 57.327 56.400 -0.211 0.000 0.958 31 E CB -0.547 29.033 29.700 -0.200 0.000 0.898 31 E HN 0.791 nan 8.360 nan 0.000 0.537 32 G N 2.768 111.445 108.800 -0.204 0.000 2.195 32 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.246 32 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.246 32 G C 0.305 175.040 174.900 -0.275 0.000 0.984 32 G CA 0.283 45.262 45.100 -0.201 0.000 0.633 32 G HN 0.404 nan 8.290 nan 0.000 0.525 33 L N 1.044 122.087 121.223 -0.299 0.000 2.399 33 L HA 0.666 5.006 4.340 -0.000 0.000 0.265 33 L C 0.441 177.038 176.870 -0.455 0.000 1.089 33 L CA -1.121 53.565 54.840 -0.257 0.000 0.802 33 L CB 0.962 42.922 42.059 -0.164 0.000 1.180 33 L HN 0.073 nan 8.230 nan 0.000 0.454 34 H N 1.574 120.598 119.070 -0.076 0.000 2.538 34 H HA 0.258 4.814 4.556 -0.000 0.000 0.353 34 H C -0.321 174.943 175.328 -0.107 0.000 1.109 34 H CA -0.569 55.437 56.048 -0.070 0.000 1.192 34 H CB 1.745 31.488 29.762 -0.031 0.000 1.555 34 H HN 0.678 nan 8.280 nan 0.000 0.518 35 N N -0.149 118.542 118.700 -0.016 0.000 2.882 35 N HA -0.181 4.559 4.740 -0.000 0.000 0.249 35 N C -0.639 174.749 175.510 -0.204 0.000 1.079 35 N CA 0.794 53.805 53.050 -0.064 0.000 0.800 35 N CB -0.792 37.681 38.487 -0.025 0.000 1.124 35 N HN 0.345 nan 8.380 nan 0.000 0.557 36 V N -2.955 116.780 119.914 -0.298 0.000 2.495 36 V HA 0.764 4.883 4.120 -0.000 0.000 0.298 36 V C 0.341 176.333 176.094 -0.170 0.000 1.031 36 V CA -0.660 61.326 62.300 -0.523 0.000 0.871 36 V CB 2.120 33.483 31.823 -0.768 0.000 0.988 36 V HN 0.054 nan 8.190 nan 0.000 0.432 37 S N 3.860 119.581 115.700 0.035 0.000 2.404 37 S HA 0.521 4.991 4.470 -0.000 0.000 0.309 37 S C 0.911 175.549 174.600 0.064 0.000 1.076 37 S CA -0.629 57.605 58.200 0.056 0.000 1.095 37 S CB 0.298 63.545 63.200 0.078 0.000 0.972 37 S HN 0.720 nan 8.310 nan 0.000 0.484 38 I N 3.950 124.524 120.570 0.006 0.000 2.226 38 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 38 I C 2.615 178.730 176.117 -0.004 0.000 1.100 38 I CA 1.420 62.714 61.300 -0.010 0.000 1.374 38 I CB -0.329 37.628 38.000 -0.071 0.000 1.057 38 I HN 0.735 nan 8.210 nan 0.000 0.413 39 S N 0.104 115.810 115.700 0.010 0.000 2.359 39 S HA -0.276 4.194 4.470 -0.000 0.000 0.224 39 S C 2.044 176.614 174.600 -0.050 0.000 1.035 39 S CA 0.897 59.088 58.200 -0.016 0.000 1.018 39 S CB -0.516 62.682 63.200 -0.004 0.000 0.876 39 S HN 0.353 nan 8.310 nan 0.000 0.448 40 Q N 1.353 121.142 119.800 -0.019 0.000 2.029 40 Q HA -0.094 4.246 4.340 -0.000 0.000 0.209 40 Q C 2.484 178.443 176.000 -0.069 0.000 0.999 40 Q CA 1.952 57.736 55.803 -0.031 0.000 0.857 40 Q CB -1.284 27.462 28.738 0.013 0.000 0.926 40 Q HN 0.542 nan 8.270 nan 0.000 0.415 41 V N 1.076 120.963 119.914 -0.046 0.000 2.252 41 V HA -0.288 3.831 4.120 -0.000 0.000 0.249 41 V C 2.256 178.268 176.094 -0.137 0.000 1.056 41 V CA 2.307 64.563 62.300 -0.073 0.000 1.022 41 V CB -0.634 31.182 31.823 -0.011 0.000 0.641 41 V HN 0.441 nan 8.190 nan 0.000 0.445 42 E N -0.119 119.966 120.200 -0.192 0.000 2.038 42 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 42 E C 2.273 178.580 176.600 -0.488 0.000 1.000 42 E CA 1.559 57.678 56.400 -0.468 0.000 0.803 42 E CB -0.293 29.094 29.700 -0.522 0.000 0.750 42 E HN 0.475 nan 8.360 nan 0.000 0.448 43 L N 0.456 121.511 121.223 -0.278 0.000 1.971 43 L HA -0.273 4.067 4.340 -0.000 0.000 0.215 43 L C 2.652 179.421 176.870 -0.168 0.000 1.072 43 L CA 1.562 56.289 54.840 -0.189 0.000 0.758 43 L CB -0.340 41.650 42.059 -0.116 0.000 0.889 43 L HN 0.078 nan 8.230 nan 0.000 0.433 44 R N -0.546 119.865 120.500 -0.149 0.000 2.159 44 R HA -0.142 4.197 4.340 -0.000 0.000 0.237 44 R C 2.397 178.609 176.300 -0.147 0.000 1.131 44 R CA 1.684 57.707 56.100 -0.128 0.000 0.982 44 R CB -0.171 30.058 30.300 -0.118 0.000 0.868 44 R HN 0.528 nan 8.270 nan 0.000 0.453 45 S N -1.394 114.186 115.700 -0.201 0.000 2.460 45 S HA 0.016 4.486 4.470 -0.000 0.000 0.226 45 S C 1.641 175.833 174.600 -0.680 0.000 1.057 45 S CA 0.115 58.150 58.200 -0.274 0.000 0.948 45 S CB -0.355 62.767 63.200 -0.130 0.000 0.822 45 S HN 0.398 nan 8.310 nan 0.000 0.512 46 H N 0.666 119.234 119.070 -0.837 0.000 2.421 46 H HA 0.066 4.622 4.556 -0.000 0.000 0.298 46 H C 1.918 176.923 175.328 -0.538 0.000 1.087 46 H CA 1.158 56.600 56.048 -1.011 0.000 1.330 46 H CB -0.120 29.395 29.762 -0.411 0.000 1.388 46 H HN 0.276 nan 8.280 nan 0.000 0.526 47 I N 1.801 122.262 120.570 -0.182 0.000 2.850 47 I HA -0.232 3.938 4.170 -0.000 0.000 0.266 47 I C 1.468 177.564 176.117 -0.035 0.000 1.257 47 I CA 1.395 62.649 61.300 -0.076 0.000 1.465 47 I CB -0.147 37.821 38.000 -0.055 0.000 1.091 47 I HN 0.325 nan 8.210 nan 0.000 0.467 48 Q N -1.148 118.614 119.800 -0.064 0.000 2.179 48 Q HA 0.175 4.515 4.340 -0.000 0.000 0.213 48 Q C -0.305 175.883 176.000 0.312 0.000 0.833 48 Q CA -0.327 55.541 55.803 0.107 0.000 0.990 48 Q CB 0.039 28.839 28.738 0.103 0.000 1.132 48 Q HN 0.146 nan 8.270 nan 0.000 0.493 49 F N 2.230 122.212 119.950 0.054 0.000 2.399 49 F HA 0.311 4.837 4.527 -0.000 0.000 0.342 49 F C 0.055 175.867 175.800 0.019 0.000 1.106 49 F CA -1.784 56.169 58.000 -0.078 0.000 1.196 49 F CB 0.144 39.061 39.000 -0.140 0.000 1.163 49 F HN 0.039 nan 8.300 nan 0.000 0.547 50 Y N -0.992 119.394 120.300 0.143 0.000 2.553 50 Y HA 0.397 4.947 4.550 -0.000 0.000 0.347 50 Y C 0.651 176.563 175.900 0.019 0.000 1.019 50 Y CA -1.411 56.729 58.100 0.067 0.000 1.032 50 Y CB 0.264 38.753 38.460 0.048 0.000 1.284 50 Y HN 0.459 nan 8.280 nan 0.000 0.466 51 D N 2.413 122.917 120.400 0.173 0.000 2.633 51 D HA -0.216 4.424 4.640 -0.000 0.000 0.206 51 D C 1.497 177.808 176.300 0.019 0.000 1.055 51 D CA 2.578 56.622 54.000 0.073 0.000 0.903 51 D CB -0.484 40.362 40.800 0.077 0.000 1.115 51 D HN 0.973 nan 8.370 nan 0.000 0.479 52 G N 0.416 109.274 108.800 0.098 0.000 3.574 52 G HA2 0.268 4.228 3.960 -0.000 0.000 0.262 52 G HA3 0.268 4.228 3.960 -0.000 0.000 0.262 52 G C 0.533 175.405 174.900 -0.046 0.000 1.231 52 G CA -0.404 44.708 45.100 0.021 0.000 1.608 52 G HN 0.365 nan 8.290 nan 0.000 0.628 53 I N 0.672 121.048 120.570 -0.323 0.000 2.575 53 I HA 0.274 4.444 4.170 -0.000 0.000 0.285 53 I C 0.565 176.502 176.117 -0.301 0.000 1.085 53 I CA -0.959 60.038 61.300 -0.506 0.000 1.403 53 I CB 0.766 38.088 38.000 -1.131 0.000 1.409 53 I HN 0.206 nan 8.210 nan 0.000 0.557 54 K N 4.047 124.337 120.400 -0.184 0.000 2.202 54 K HA 0.161 4.480 4.320 -0.000 0.000 0.264 54 K C 1.000 177.460 176.600 -0.234 0.000 1.010 54 K CA 0.037 56.232 56.287 -0.153 0.000 0.940 54 K CB 0.512 32.971 32.500 -0.069 0.000 0.983 54 K HN 0.769 nan 8.250 nan 0.000 0.475 55 T N -1.855 112.565 114.554 -0.223 0.000 2.699 55 T HA -0.284 4.066 4.350 -0.000 0.000 0.268 55 T C 2.222 176.666 174.700 -0.425 0.000 1.036 55 T CA 1.922 63.820 62.100 -0.336 0.000 1.147 55 T CB -0.606 68.127 68.868 -0.225 0.000 0.862 55 T HN 0.732 nan 8.240 nan 0.000 0.446 56 S N 2.055 117.654 115.700 -0.167 0.000 2.387 56 S HA -0.218 4.252 4.470 -0.000 0.000 0.230 56 S C 1.717 176.258 174.600 -0.098 0.000 1.035 56 S CA 1.636 59.832 58.200 -0.007 0.000 1.014 56 S CB -0.802 62.472 63.200 0.123 0.000 0.836 56 S HN 0.541 nan 8.310 nan 0.000 0.466 57 D N 1.676 122.003 120.400 -0.122 0.000 2.149 57 D HA 0.063 4.702 4.640 -0.000 0.000 0.201 57 D C 2.125 178.358 176.300 -0.111 0.000 0.972 57 D CA 0.959 54.910 54.000 -0.082 0.000 0.835 57 D CB -0.367 40.404 40.800 -0.049 0.000 0.966 57 D HN 0.414 nan 8.370 nan 0.000 0.476 58 I N 1.025 121.419 120.570 -0.294 0.000 2.113 58 I HA -0.338 3.832 4.170 -0.000 0.000 0.242 58 I C 2.190 178.301 176.117 -0.009 0.000 1.064 58 I CA 1.654 62.772 61.300 -0.304 0.000 1.320 58 I CB -1.217 36.443 38.000 -0.567 0.000 1.028 58 I HN 0.227 nan 8.210 nan 0.000 0.406 59 H N 0.592 119.640 119.070 -0.037 0.000 2.290 59 H HA -0.152 4.404 4.556 -0.000 0.000 0.298 59 H C 2.317 177.581 175.328 -0.105 0.000 1.087 59 H CA 1.202 57.212 56.048 -0.064 0.000 1.291 59 H CB 0.031 29.674 29.762 -0.198 0.000 1.369 59 H HN 0.339 nan 8.280 nan 0.000 0.492 60 E N 0.367 120.546 120.200 -0.035 0.000 2.085 60 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 60 E C 2.330 178.966 176.600 0.060 0.000 0.994 60 E CA 1.524 57.919 56.400 -0.009 0.000 0.801 60 E CB -0.532 29.170 29.700 0.003 0.000 0.743 60 E HN 0.499 nan 8.360 nan 0.000 0.453 61 T N 2.763 117.380 114.554 0.104 0.000 2.708 61 T HA -0.110 4.239 4.350 -0.000 0.000 0.266 61 T C 2.147 176.920 174.700 0.122 0.000 1.037 61 T CA 1.469 63.652 62.100 0.139 0.000 1.146 61 T CB -0.354 68.679 68.868 0.274 0.000 0.865 61 T HN 0.373 nan 8.240 nan 0.000 0.435 62 I N -0.435 120.241 120.570 0.177 0.000 2.394 62 I HA -0.053 4.116 4.170 -0.000 0.000 0.251 62 I C 2.167 178.320 176.117 0.059 0.000 1.136 62 I CA 1.468 62.852 61.300 0.140 0.000 1.425 62 I CB -0.677 37.449 38.000 0.211 0.000 1.079 62 I HN 0.176 nan 8.210 nan 0.000 0.425 63 I N 1.518 122.123 120.570 0.059 0.000 2.142 63 I HA -0.255 3.915 4.170 -0.000 0.000 0.240 63 I C 2.834 178.886 176.117 -0.108 0.000 1.078 63 I CA 1.586 62.884 61.300 -0.003 0.000 1.343 63 I CB -0.476 37.568 38.000 0.074 0.000 1.046 63 I HN 0.183 nan 8.210 nan 0.000 0.405 64 K N 0.764 121.137 120.400 -0.045 0.000 2.032 64 K HA -0.216 4.104 4.320 -0.000 0.000 0.209 64 K C 2.263 178.791 176.600 -0.121 0.000 1.048 64 K CA 1.630 57.874 56.287 -0.073 0.000 0.927 64 K CB -0.307 32.190 32.500 -0.005 0.000 0.712 64 K HN 0.326 nan 8.250 nan 0.000 0.441 65 A N 1.443 124.210 122.820 -0.089 0.000 1.884 65 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 65 A C 2.360 179.827 177.584 -0.196 0.000 1.197 65 A CA 2.533 54.497 52.037 -0.122 0.000 0.637 65 A CB -0.985 17.965 19.000 -0.083 0.000 0.827 65 A HN 0.442 nan 8.150 nan 0.000 0.450 66 A N -0.469 122.251 122.820 -0.167 0.000 1.883 66 A HA 0.089 4.409 4.320 -0.000 0.000 0.217 66 A C 2.559 179.962 177.584 -0.301 0.000 1.186 66 A CA 2.619 54.547 52.037 -0.181 0.000 0.624 66 A CB -1.182 17.774 19.000 -0.074 0.000 0.822 66 A HN 1.278 nan 8.150 nan 0.000 0.444 67 A N -0.129 122.465 122.820 -0.376 0.000 1.933 67 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 67 A C 1.608 179.034 177.584 -0.263 0.000 1.175 67 A CA 1.818 53.590 52.037 -0.441 0.000 0.628 67 A CB -0.585 17.988 19.000 -0.712 0.000 0.814 67 A HN 0.466 nan 8.150 nan 0.000 0.444 68 D N -0.185 120.076 120.400 -0.233 0.000 2.350 68 D HA -0.029 4.610 4.640 -0.000 0.000 0.216 68 D C 1.366 177.506 176.300 -0.267 0.000 0.968 68 D CA 0.666 54.552 54.000 -0.191 0.000 0.894 68 D CB -0.125 40.587 40.800 -0.147 0.000 0.909 68 D HN 0.494 nan 8.370 nan 0.000 0.520 69 L N 0.243 121.191 121.223 -0.459 0.000 2.607 69 L HA 0.210 4.550 4.340 -0.000 0.000 0.228 69 L C 0.740 177.373 176.870 -0.395 0.000 1.123 69 L CA -0.274 54.187 54.840 -0.633 0.000 0.890 69 L CB 0.167 41.385 42.059 -1.400 0.000 1.103 69 L HN -0.139 nan 8.230 nan 0.000 0.468 70 I N 0.923 121.373 120.570 -0.201 0.000 2.845 70 I HA -0.099 4.071 4.170 -0.000 0.000 0.296 70 I C 0.710 176.812 176.117 -0.024 0.000 1.216 70 I CA 0.829 62.120 61.300 -0.015 0.000 1.438 70 I CB 0.368 38.353 38.000 -0.026 0.000 1.342 70 I HN 0.273 nan 8.210 nan 0.000 0.577 71 S N 5.257 120.959 115.700 0.003 0.000 2.611 71 S HA 0.424 4.894 4.470 -0.000 0.000 0.268 71 S C 0.528 175.058 174.600 -0.116 0.000 1.156 71 S CA -1.159 57.009 58.200 -0.053 0.000 0.817 71 S CB 1.441 64.621 63.200 -0.034 0.000 1.122 71 S HN 0.620 nan 8.310 nan 0.000 0.466 72 R N 1.014 121.379 120.500 -0.224 0.000 2.091 72 R HA -0.109 4.231 4.340 -0.000 0.000 0.238 72 R C 0.554 176.667 176.300 -0.312 0.000 1.136 72 R CA 2.272 58.067 56.100 -0.509 0.000 0.959 72 R CB -1.026 28.863 30.300 -0.684 0.000 0.856 72 R HN 0.785 nan 8.270 nan 0.000 0.437 73 D N 0.301 120.626 120.400 -0.125 0.000 2.348 73 D HA 0.098 4.738 4.640 -0.000 0.000 0.211 73 D C 0.176 176.486 176.300 0.016 0.000 0.998 73 D CA 0.695 54.681 54.000 -0.022 0.000 0.873 73 D CB 0.462 41.254 40.800 -0.013 0.000 0.925 73 D HN 0.286 nan 8.370 nan 0.000 0.524 74 A N 1.161 124.002 122.820 0.034 0.000 3.082 74 A HA 0.359 4.679 4.320 -0.000 0.000 0.328 74 A C -2.050 175.581 177.584 0.078 0.000 1.089 74 A CA -1.003 51.074 52.037 0.067 0.000 0.802 74 A CB 0.824 19.933 19.000 0.181 0.000 1.138 74 A HN -0.112 nan 8.150 nan 0.000 0.474 75 P HA 0.011 nan 4.420 nan 0.000 0.240 75 P C 0.268 177.592 177.300 0.040 0.000 1.190 75 P CA 0.794 63.917 63.100 0.038 0.000 0.781 75 P CB 0.406 32.145 31.700 0.065 0.000 0.931 76 D N -1.302 119.117 120.400 0.030 0.000 2.348 76 D HA -0.108 4.532 4.640 -0.000 0.000 0.216 76 D C 1.543 177.809 176.300 -0.057 0.000 0.970 76 D CA 0.727 54.758 54.000 0.051 0.000 0.889 76 D CB -0.685 40.120 40.800 0.008 0.000 0.912 76 D HN 0.130 nan 8.370 nan 0.000 0.524 77 Y N 1.811 122.094 120.300 -0.028 0.000 2.151 77 Y HA -0.243 4.307 4.550 -0.000 0.000 0.284 77 Y C 2.367 178.194 175.900 -0.122 0.000 1.166 77 Y CA 1.143 59.198 58.100 -0.076 0.000 1.163 77 Y CB -0.509 37.897 38.460 -0.091 0.000 0.974 77 Y HN 0.134 nan 8.280 nan 0.000 0.511 78 Q N -1.172 118.602 119.800 -0.042 0.000 2.096 78 Q HA -0.285 4.055 4.340 -0.000 0.000 0.208 78 Q C 1.911 177.773 176.000 -0.231 0.000 0.993 78 Q CA 2.320 58.008 55.803 -0.192 0.000 0.862 78 Q CB -0.915 27.553 28.738 -0.450 0.000 0.915 78 Q HN 0.551 nan 8.270 nan 0.000 0.416 79 Y N 0.484 120.827 120.300 0.071 0.000 2.263 79 Y HA -0.134 4.416 4.550 0.000 0.000 0.292 79 Y C 2.172 178.079 175.900 0.012 0.000 1.130 79 Y CA 0.641 58.771 58.100 0.050 0.000 1.179 79 Y CB -0.533 37.933 38.460 0.009 0.000 0.998 79 Y HN 0.095 nan 8.280 nan 0.000 0.532 80 L N 0.445 121.719 121.223 0.085 0.000 1.989 80 L HA -0.177 4.163 4.340 -0.000 0.000 0.211 80 L C 2.426 179.319 176.870 0.040 0.000 1.071 80 L CA 2.112 56.964 54.840 0.021 0.000 0.749 80 L CB -1.169 40.896 42.059 0.010 0.000 0.890 80 L HN 0.135 nan 8.230 nan 0.000 0.431 81 A N -0.321 122.505 122.820 0.010 0.000 1.865 81 A HA -0.199 4.120 4.320 -0.000 0.000 0.217 81 A C 2.481 180.147 177.584 0.137 0.000 1.191 81 A CA 2.430 54.408 52.037 -0.099 0.000 0.623 81 A CB -1.446 17.250 19.000 -0.507 0.000 0.826 81 A HN 0.652 nan 8.150 nan 0.000 0.444 82 A N -0.349 122.627 122.820 0.259 0.000 1.873 82 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 82 A C 2.251 180.028 177.584 0.320 0.000 1.193 82 A CA 2.014 54.267 52.037 0.361 0.000 0.629 82 A CB -0.581 18.619 19.000 0.332 0.000 0.826 82 A HN 0.561 nan 8.150 nan 0.000 0.447 83 R N -0.788 119.859 120.500 0.245 0.000 2.083 83 R HA -0.086 4.254 4.340 -0.000 0.000 0.237 83 R C 2.173 178.698 176.300 0.376 0.000 1.137 83 R CA 1.604 57.843 56.100 0.232 0.000 0.951 83 R CB -0.558 29.682 30.300 -0.100 0.000 0.851 83 R HN 0.550 nan 8.270 nan 0.000 0.434 84 L N -0.051 121.339 121.223 0.277 0.000 1.989 84 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 84 L C 2.684 179.782 176.870 0.380 0.000 1.071 84 L CA 1.496 56.523 54.840 0.312 0.000 0.749 84 L CB -0.654 41.508 42.059 0.172 0.000 0.890 84 L HN 0.283 nan 8.230 nan 0.000 0.431 85 A N 0.257 123.279 122.820 0.338 0.000 1.873 85 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 85 A C 2.189 179.978 177.584 0.341 0.000 1.193 85 A CA 1.877 54.125 52.037 0.351 0.000 0.629 85 A CB -0.712 18.512 19.000 0.372 0.000 0.826 85 A HN 0.290 nan 8.150 nan 0.000 0.447 86 I N -1.368 119.412 120.570 0.350 0.000 2.118 86 I HA -0.250 3.920 4.170 -0.000 0.000 0.241 86 I C 2.356 178.684 176.117 0.351 0.000 1.070 86 I CA 1.676 63.168 61.300 0.320 0.000 1.327 86 I CB -1.600 36.635 38.000 0.391 0.000 1.034 86 I HN 0.488 nan 8.210 nan 0.000 0.405 87 F N 1.505 121.688 119.950 0.387 0.000 2.043 87 F HA -0.357 4.170 4.527 -0.000 0.000 0.297 87 F C 2.917 178.816 175.800 0.165 0.000 1.118 87 F CA 2.549 60.768 58.000 0.365 0.000 1.202 87 F CB -0.699 38.523 39.000 0.369 0.000 0.965 87 F HN 0.251 nan 8.300 nan 0.000 0.482 88 H N 0.167 119.341 119.070 0.174 0.000 2.290 88 H HA -0.192 4.364 4.556 -0.000 0.000 0.298 88 H C 2.121 177.408 175.328 -0.068 0.000 1.087 88 H CA 2.541 58.568 56.048 -0.035 0.000 1.291 88 H CB -0.707 29.090 29.762 0.059 0.000 1.369 88 H HN 0.403 nan 8.280 nan 0.000 0.492 89 L N -0.188 120.956 121.223 -0.131 0.000 2.187 89 L HA -0.186 4.154 4.340 -0.000 0.000 0.213 89 L C 2.596 179.278 176.870 -0.313 0.000 1.100 89 L CA 0.924 55.621 54.840 -0.238 0.000 0.765 89 L CB -0.244 41.763 42.059 -0.088 0.000 0.904 89 L HN 0.306 nan 8.230 nan 0.000 0.437 90 R N 0.027 120.359 120.500 -0.281 0.000 2.057 90 R HA -0.091 4.248 4.340 -0.000 0.000 0.229 90 R C 2.175 178.277 176.300 -0.330 0.000 1.136 90 R CA 1.090 56.988 56.100 -0.336 0.000 0.952 90 R CB -0.507 29.596 30.300 -0.329 0.000 0.848 90 R HN 0.330 nan 8.270 nan 0.000 0.430 91 K N 0.913 121.109 120.400 -0.340 0.000 2.063 91 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 91 K C 2.104 178.568 176.600 -0.227 0.000 1.048 91 K CA 1.255 57.391 56.287 -0.253 0.000 0.928 91 K CB -0.076 32.264 32.500 -0.265 0.000 0.713 91 K HN 0.024 nan 8.250 nan 0.000 0.442 92 K N -0.133 120.067 120.400 -0.334 0.000 2.280 92 K HA -0.107 4.212 4.320 -0.000 0.000 0.202 92 K C 1.664 178.096 176.600 -0.279 0.000 1.047 92 K CA 1.133 57.230 56.287 -0.316 0.000 0.942 92 K CB 0.108 32.333 32.500 -0.457 0.000 0.739 92 K HN 0.141 nan 8.250 nan 0.000 0.457 93 A N -0.813 121.775 122.820 -0.386 0.000 2.035 93 A HA 0.059 4.379 4.320 -0.000 0.000 0.208 93 A C 0.888 178.293 177.584 -0.297 0.000 1.206 93 A CA 0.345 52.113 52.037 -0.448 0.000 0.773 93 A CB 0.074 18.582 19.000 -0.820 0.000 0.878 93 A HN 0.285 nan 8.150 nan 0.000 0.469 94 Y N -1.480 118.784 120.300 -0.059 0.000 2.453 94 Y HA 0.401 4.951 4.550 -0.000 0.000 0.247 94 Y C 1.842 177.714 175.900 -0.047 0.000 1.124 94 Y CA -0.393 57.684 58.100 -0.040 0.000 1.243 94 Y CB 0.105 38.519 38.460 -0.078 0.000 1.213 94 Y HN 0.400 nan 8.280 nan 0.000 0.523 95 G N 0.542 109.373 108.800 0.052 0.000 2.234 95 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.260 95 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.260 95 G C 0.255 175.163 174.900 0.013 0.000 0.987 95 G CA 0.751 45.865 45.100 0.024 0.000 0.625 95 G HN 0.469 nan 8.290 nan 0.000 0.532 96 Q N -2.049 117.766 119.800 0.025 0.000 2.882 96 Q HA 0.767 5.106 4.340 -0.000 0.000 0.315 96 Q C 0.678 176.673 176.000 -0.009 0.000 1.004 96 Q CA -0.699 55.109 55.803 0.009 0.000 0.777 96 Q CB 0.521 29.276 28.738 0.028 0.000 1.506 96 Q HN 0.424 nan 8.270 nan 0.000 0.489 97 F N 0.119 119.962 119.950 -0.179 0.000 2.530 97 F HA 0.260 4.786 4.527 -0.000 0.000 0.292 97 F C 0.364 176.097 175.800 -0.112 0.000 1.109 97 F CA 0.175 58.038 58.000 -0.227 0.000 1.450 97 F CB 0.802 39.631 39.000 -0.285 0.000 1.114 97 F HN 0.385 nan 8.300 nan 0.000 0.560 98 E N 3.780 123.973 120.200 -0.011 0.000 2.129 98 E HA 0.179 4.529 4.350 -0.000 0.000 0.283 98 E C -2.340 174.079 176.600 -0.303 0.000 1.080 98 E CA -2.364 53.960 56.400 -0.126 0.000 0.867 98 E CB 0.397 30.103 29.700 0.009 0.000 1.056 98 E HN 0.105 nan 8.360 nan 0.000 0.404 99 P HA 0.055 nan 4.420 nan 0.000 0.265 99 P C -2.285 174.733 177.300 -0.469 0.000 1.193 99 P CA -0.929 61.622 63.100 -0.915 0.000 0.765 99 P CB -0.282 30.660 31.700 -1.264 0.000 0.823 100 P HA -0.030 nan 4.420 nan 0.000 0.271 100 P C -0.291 177.011 177.300 0.002 0.000 1.228 100 P CA 0.059 63.061 63.100 -0.163 0.000 0.797 100 P CB 0.254 31.879 31.700 -0.125 0.000 0.914 101 A N 0.818 123.650 122.820 0.020 0.000 2.407 101 A HA 0.103 4.422 4.320 -0.000 0.000 0.248 101 A C 1.380 178.976 177.584 0.020 0.000 1.082 101 A CA -0.427 51.651 52.037 0.069 0.000 0.785 101 A CB -0.438 18.602 19.000 0.067 0.000 1.020 101 A HN 0.620 nan 8.150 nan 0.000 0.489 102 L N 2.033 123.280 121.223 0.039 0.000 2.013 102 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 102 L C 2.016 178.768 176.870 -0.195 0.000 1.073 102 L CA 2.576 57.339 54.840 -0.129 0.000 0.753 102 L CB -1.091 40.990 42.059 0.037 0.000 0.890 102 L HN 0.870 nan 8.230 nan 0.000 0.432 103 Y N 0.527 120.721 120.300 -0.176 0.000 2.128 103 Y HA -0.278 4.272 4.550 -0.000 0.000 0.284 103 Y C 2.363 178.112 175.900 -0.251 0.000 1.154 103 Y CA 2.208 60.139 58.100 -0.283 0.000 1.149 103 Y CB -0.430 37.984 38.460 -0.077 0.000 0.976 103 Y HN 0.349 nan 8.280 nan 0.000 0.505 104 D N -1.277 119.027 120.400 -0.160 0.000 2.123 104 D HA -0.233 4.407 4.640 -0.000 0.000 0.196 104 D C 1.987 178.142 176.300 -0.242 0.000 0.992 104 D CA 1.940 55.823 54.000 -0.194 0.000 0.833 104 D CB -0.612 40.160 40.800 -0.047 0.000 0.954 104 D HN 0.533 nan 8.370 nan 0.000 0.455 105 H N 1.041 119.922 119.070 -0.315 0.000 2.267 105 H HA -0.096 4.460 4.556 -0.000 0.000 0.297 105 H C 2.066 177.206 175.328 -0.314 0.000 1.080 105 H CA 1.800 57.656 56.048 -0.320 0.000 1.278 105 H CB -0.382 29.059 29.762 -0.535 0.000 1.365 105 H HN -0.118 nan 8.280 nan 0.000 0.489 106 V N -0.121 119.504 119.914 -0.481 0.000 2.332 106 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 106 V C 2.701 178.524 176.094 -0.452 0.000 1.055 106 V CA 1.606 63.645 62.300 -0.434 0.000 1.038 106 V CB -0.717 30.716 31.823 -0.649 0.000 0.651 106 V HN 0.350 nan 8.190 nan 0.000 0.450 107 V N 0.121 119.689 119.914 -0.578 0.000 2.287 107 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 107 V C 2.453 178.352 176.094 -0.326 0.000 1.053 107 V CA 2.568 64.588 62.300 -0.467 0.000 1.027 107 V CB -0.696 30.804 31.823 -0.539 0.000 0.646 107 V HN 0.618 nan 8.190 nan 0.000 0.447 108 K N -0.441 119.763 120.400 -0.325 0.000 2.063 108 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 108 K C 2.143 178.541 176.600 -0.338 0.000 1.048 108 K CA 1.770 57.893 56.287 -0.274 0.000 0.928 108 K CB -0.179 32.185 32.500 -0.226 0.000 0.713 108 K HN 0.238 nan 8.250 nan 0.000 0.442 109 M N 0.441 119.758 119.600 -0.472 0.000 2.175 109 M HA -0.098 4.382 4.480 -0.000 0.000 0.264 109 M C 2.179 178.257 176.300 -0.371 0.000 1.063 109 M CA 1.057 55.997 55.300 -0.601 0.000 1.119 109 M CB -0.475 31.439 32.600 -1.143 0.000 1.377 109 M HN 0.047 nan 8.290 nan 0.000 0.415 110 V N 0.577 120.355 119.914 -0.228 0.000 2.358 110 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 110 V C 2.115 178.132 176.094 -0.129 0.000 1.047 110 V CA 1.626 63.856 62.300 -0.117 0.000 1.035 110 V CB -0.930 30.853 31.823 -0.066 0.000 0.658 110 V HN 0.482 nan 8.190 nan 0.000 0.452 111 E N 0.010 120.117 120.200 -0.156 0.000 2.153 111 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 111 E C 2.006 178.519 176.600 -0.144 0.000 0.988 111 E CA 1.285 57.607 56.400 -0.130 0.000 0.811 111 E CB -0.226 29.398 29.700 -0.127 0.000 0.746 111 E HN 0.544 nan 8.360 nan 0.000 0.466 112 M N -0.610 118.866 119.600 -0.206 0.000 2.561 112 M HA 0.123 4.603 4.480 -0.000 0.000 0.238 112 M C 1.028 177.205 176.300 -0.206 0.000 1.131 112 M CA 0.549 55.711 55.300 -0.230 0.000 1.046 112 M CB 0.674 33.059 32.600 -0.358 0.000 1.532 112 M HN 0.270 nan 8.290 nan 0.000 0.497 113 G N 0.929 109.629 108.800 -0.165 0.000 2.147 113 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 113 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 113 G C 0.875 175.707 174.900 -0.113 0.000 1.005 113 G CA 0.221 45.254 45.100 -0.112 0.000 0.713 113 G HN 0.354 nan 8.290 nan 0.000 0.515 114 K N -1.290 118.994 120.400 -0.193 0.000 2.308 114 K HA 0.219 4.539 4.320 -0.000 0.000 0.197 114 K C 0.249 176.834 176.600 -0.024 0.000 1.049 114 K CA 0.559 56.737 56.287 -0.182 0.000 0.991 114 K CB 0.481 32.739 32.500 -0.403 0.000 0.836 114 K HN 0.426 nan 8.250 nan 0.000 0.500 115 Y N 1.128 121.380 120.300 -0.079 0.000 2.468 115 Y HA 0.217 4.767 4.550 -0.000 0.000 0.342 115 Y C 0.305 176.191 175.900 -0.022 0.000 1.021 115 Y CA -2.534 55.543 58.100 -0.038 0.000 1.079 115 Y CB 0.761 39.176 38.460 -0.074 0.000 1.226 115 Y HN -0.062 nan 8.280 nan 0.000 0.460 116 D N 1.236 121.748 120.400 0.186 0.000 2.488 116 D HA -0.072 4.568 4.640 -0.000 0.000 0.238 116 D C 0.676 177.045 176.300 0.115 0.000 1.138 116 D CA 0.359 54.413 54.000 0.091 0.000 0.873 116 D CB 0.681 41.526 40.800 0.074 0.000 1.183 116 D HN 0.814 nan 8.370 nan 0.000 0.458 117 N N 2.506 121.262 118.700 0.093 0.000 2.309 117 N HA -0.163 4.577 4.740 -0.000 0.000 0.182 117 N C 1.386 177.051 175.510 0.258 0.000 1.018 117 N CA 0.877 54.015 53.050 0.146 0.000 0.876 117 N CB -0.301 38.262 38.487 0.127 0.000 0.972 117 N HN 0.552 nan 8.380 nan 0.000 0.434 118 H N 0.166 119.298 119.070 0.103 0.000 2.489 118 H HA -0.018 4.538 4.556 -0.000 0.000 0.295 118 H C 1.824 177.263 175.328 0.185 0.000 1.082 118 H CA 0.645 56.764 56.048 0.119 0.000 1.295 118 H CB 0.064 29.888 29.762 0.103 0.000 1.380 118 H HN 0.226 nan 8.280 nan 0.000 0.548 119 L N 0.428 121.859 121.223 0.347 0.000 2.042 119 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 119 L C 2.249 179.451 176.870 0.554 0.000 1.076 119 L CA 1.075 56.174 54.840 0.431 0.000 0.749 119 L CB -0.214 42.039 42.059 0.322 0.000 0.893 119 L HN 0.300 nan 8.230 nan 0.000 0.432 120 L N -1.072 120.385 121.223 0.390 0.000 2.291 120 L HA -0.150 4.189 4.340 -0.000 0.000 0.214 120 L C 2.348 179.393 176.870 0.292 0.000 1.120 120 L CA 0.804 55.877 54.840 0.389 0.000 0.799 120 L CB -0.281 41.895 42.059 0.195 0.000 0.925 120 L HN 0.275 nan 8.230 nan 0.000 0.446 121 E N -0.007 120.313 120.200 0.200 0.000 2.033 121 E HA -0.173 4.177 4.350 -0.000 0.000 0.189 121 E C 1.606 178.236 176.600 0.050 0.000 0.979 121 E CA 1.092 57.547 56.400 0.091 0.000 0.802 121 E CB 0.108 29.811 29.700 0.004 0.000 0.763 121 E HN 0.410 nan 8.360 nan 0.000 0.449 122 D N -0.615 119.814 120.400 0.049 0.000 2.219 122 D HA -0.086 4.554 4.640 -0.000 0.000 0.205 122 D C -0.098 175.990 176.300 -0.353 0.000 0.970 122 D CA 1.221 55.139 54.000 -0.136 0.000 0.851 122 D CB 0.071 40.783 40.800 -0.147 0.000 0.943 122 D HN 0.137 nan 8.370 nan 0.000 0.488 123 Y N -0.450 119.838 120.300 -0.019 0.000 2.446 123 Y HA 0.286 4.836 4.550 -0.000 0.000 0.345 123 Y C 0.837 176.693 175.900 -0.073 0.000 0.984 123 Y CA -1.135 56.838 58.100 -0.211 0.000 1.058 123 Y CB 1.638 39.648 38.460 -0.751 0.000 1.220 123 Y HN -0.303 nan 8.280 nan 0.000 0.455 124 T N -2.578 112.008 114.554 0.052 0.000 2.847 124 T HA 0.157 4.507 4.350 -0.000 0.000 0.279 124 T C 1.045 175.827 174.700 0.137 0.000 0.984 124 T CA -0.527 61.630 62.100 0.094 0.000 0.988 124 T CB 1.379 70.255 68.868 0.014 0.000 1.040 124 T HN 0.877 nan 8.240 nan 0.000 0.528 125 E N -0.067 120.143 120.200 0.017 0.000 2.153 125 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 125 E C 1.747 178.256 176.600 -0.151 0.000 0.988 125 E CA 1.179 57.389 56.400 -0.317 0.000 0.811 125 E CB -0.065 29.101 29.700 -0.890 0.000 0.746 125 E HN 0.710 nan 8.360 nan 0.000 0.466 126 E N 1.030 121.169 120.200 -0.102 0.000 2.072 126 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 126 E C 1.732 178.292 176.600 -0.067 0.000 0.985 126 E CA 1.325 57.678 56.400 -0.078 0.000 0.801 126 E CB -0.031 29.632 29.700 -0.061 0.000 0.750 126 E HN 0.375 nan 8.360 nan 0.000 0.452 127 E N -1.048 119.112 120.200 -0.068 0.000 2.077 127 E HA -0.170 4.179 4.350 -0.000 0.000 0.193 127 E C 1.880 178.354 176.600 -0.210 0.000 0.989 127 E CA 1.061 57.389 56.400 -0.119 0.000 0.800 127 E CB -0.229 29.440 29.700 -0.052 0.000 0.746 127 E HN 0.272 nan 8.360 nan 0.000 0.452 128 F N 1.430 121.365 119.950 -0.025 0.000 2.146 128 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 128 F C 2.235 177.980 175.800 -0.091 0.000 1.096 128 F CA 1.011 58.984 58.000 -0.044 0.000 1.275 128 F CB -0.219 38.862 39.000 0.135 0.000 1.008 128 F HN -0.144 nan 8.300 nan 0.000 0.480 129 K N -0.051 120.396 120.400 0.078 0.000 2.089 129 K HA -0.291 4.029 4.320 -0.000 0.000 0.210 129 K C 2.124 178.659 176.600 -0.107 0.000 1.048 129 K CA 1.865 58.145 56.287 -0.011 0.000 0.926 129 K CB -0.409 32.066 32.500 -0.042 0.000 0.714 129 K HN 0.398 nan 8.250 nan 0.000 0.448 130 Q N 0.234 119.921 119.800 -0.189 0.000 2.083 130 Q HA -0.031 4.308 4.340 -0.000 0.000 0.198 130 Q C 2.197 177.754 176.000 -0.739 0.000 0.969 130 Q CA 0.923 56.520 55.803 -0.345 0.000 0.838 130 Q CB 0.134 28.697 28.738 -0.292 0.000 0.900 130 Q HN 0.294 nan 8.270 nan 0.000 0.436 131 M N 0.416 119.590 119.600 -0.711 0.000 2.108 131 M HA -0.206 4.274 4.480 -0.000 0.000 0.261 131 M C 1.688 177.668 176.300 -0.533 0.000 1.066 131 M CA 1.321 56.103 55.300 -0.863 0.000 1.107 131 M CB -0.438 31.930 32.600 -0.387 0.000 1.356 131 M HN 0.156 nan 8.290 nan 0.000 0.406 132 D N 0.365 120.619 120.400 -0.244 0.000 2.190 132 D HA -0.154 4.486 4.640 -0.000 0.000 0.200 132 D C 1.957 178.183 176.300 -0.123 0.000 0.992 132 D CA 1.948 55.893 54.000 -0.091 0.000 0.854 132 D CB -0.076 40.730 40.800 0.010 0.000 0.936 132 D HN 0.455 nan 8.370 nan 0.000 0.462 133 T N -2.443 111.991 114.554 -0.201 0.000 3.055 133 T HA -0.079 4.271 4.350 -0.000 0.000 0.265 133 T C 1.781 176.507 174.700 0.042 0.000 1.111 133 T CA 0.382 62.429 62.100 -0.087 0.000 1.118 133 T CB -0.425 68.400 68.868 -0.072 0.000 0.909 133 T HN -0.063 nan 8.240 nan 0.000 0.501 134 F N 1.675 121.552 119.950 -0.121 0.000 2.187 134 F HA 0.444 4.970 4.527 -0.000 0.000 0.295 134 F C 1.404 177.061 175.800 -0.237 0.000 1.091 134 F CA -1.637 56.265 58.000 -0.163 0.000 1.308 134 F CB -0.898 37.956 39.000 -0.243 0.000 1.030 134 F HN 0.178 nan 8.300 nan 0.000 0.487 135 I N 1.753 122.207 120.570 -0.192 0.000 2.775 135 I HA -0.095 4.075 4.170 -0.000 0.000 0.290 135 I C -0.033 176.005 176.117 -0.132 0.000 1.203 135 I CA 0.573 61.676 61.300 -0.328 0.000 1.433 135 I CB 0.107 37.898 38.000 -0.349 0.000 1.354 135 I HN -0.016 nan 8.210 nan 0.000 0.579 136 D N 5.366 125.745 120.400 -0.034 0.000 2.440 136 D HA 0.170 4.810 4.640 -0.000 0.000 0.252 136 D C 0.775 177.035 176.300 -0.068 0.000 1.180 136 D CA -0.403 53.581 54.000 -0.025 0.000 0.894 136 D CB 0.598 41.430 40.800 0.053 0.000 1.111 136 D HN 0.381 nan 8.370 nan 0.000 0.544 137 H N 1.901 121.002 119.070 0.052 0.000 2.545 137 H HA -0.041 4.515 4.556 -0.000 0.000 0.282 137 H C 0.475 175.849 175.328 0.077 0.000 1.020 137 H CA 0.678 56.735 56.048 0.016 0.000 1.243 137 H CB 0.482 30.191 29.762 -0.087 0.000 1.377 137 H HN 0.480 nan 8.280 nan 0.000 0.581 138 D N 0.601 121.113 120.400 0.186 0.000 2.310 138 D HA -0.080 4.560 4.640 -0.000 0.000 0.212 138 D C 2.040 178.411 176.300 0.118 0.000 0.965 138 D CA 0.315 54.429 54.000 0.190 0.000 0.879 138 D CB 0.020 40.919 40.800 0.163 0.000 0.921 138 D HN 0.435 nan 8.370 nan 0.000 0.510 139 R N 0.792 121.322 120.500 0.050 0.000 2.193 139 R HA -0.096 4.244 4.340 -0.000 0.000 0.229 139 R C 1.080 177.358 176.300 -0.037 0.000 1.110 139 R CA 0.688 56.754 56.100 -0.058 0.000 0.988 139 R CB -0.280 29.918 30.300 -0.169 0.000 0.871 139 R HN 0.160 nan 8.270 nan 0.000 0.458 140 D N 1.232 121.721 120.400 0.149 0.000 2.190 140 D HA -0.162 4.478 4.640 -0.000 0.000 0.200 140 D C 1.537 178.041 176.300 0.340 0.000 0.992 140 D CA 1.244 55.447 54.000 0.338 0.000 0.854 140 D CB -0.100 40.919 40.800 0.365 0.000 0.936 140 D HN 0.070 nan 8.370 nan 0.000 0.462 141 M N 0.049 119.793 119.600 0.240 0.000 2.632 141 M HA -0.063 4.417 4.480 -0.000 0.000 0.256 141 M C 1.672 178.045 176.300 0.121 0.000 1.080 141 M CA 0.844 56.265 55.300 0.201 0.000 1.084 141 M CB -0.226 32.463 32.600 0.149 0.000 1.439 141 M HN 0.056 nan 8.290 nan 0.000 0.509 142 T N -3.046 111.537 114.554 0.049 0.000 3.081 142 T HA 0.144 4.494 4.350 -0.000 0.000 0.250 142 T C 0.378 175.200 174.700 0.204 0.000 1.100 142 T CA -0.318 61.795 62.100 0.022 0.000 1.038 142 T CB -0.333 68.532 68.868 -0.005 0.000 0.962 142 T HN -0.006 nan 8.240 nan 0.000 0.516 143 F N 3.898 124.063 119.950 0.358 0.000 2.471 143 F HA 0.450 4.976 4.527 -0.000 0.000 0.353 143 F C 1.293 177.291 175.800 0.329 0.000 1.113 143 F CA -1.073 57.100 58.000 0.289 0.000 1.262 143 F CB 0.709 39.846 39.000 0.230 0.000 1.146 143 F HN 0.187 nan 8.300 nan 0.000 0.578 144 S N 2.782 118.705 115.700 0.372 0.000 2.646 144 S HA 0.192 4.661 4.470 -0.000 0.000 0.276 144 S C 0.814 175.462 174.600 0.080 0.000 1.222 144 S CA -0.688 57.529 58.200 0.028 0.000 1.014 144 S CB 0.687 63.783 63.200 -0.174 0.000 0.991 144 S HN 0.629 nan 8.310 nan 0.000 0.533 145 Y N 2.247 122.496 120.300 -0.085 0.000 2.062 145 Y HA -0.300 4.250 4.550 -0.001 0.000 0.276 145 Y C 2.604 178.478 175.900 -0.043 0.000 1.189 145 Y CA 2.304 60.383 58.100 -0.035 0.000 1.130 145 Y CB -1.212 37.221 38.460 -0.044 0.000 0.959 145 Y HN 0.879 nan 8.280 nan 0.000 0.499 146 A N 0.106 122.841 122.820 -0.142 0.000 1.917 146 A HA -0.188 4.131 4.320 -0.000 0.000 0.219 146 A C 2.489 179.938 177.584 -0.226 0.000 1.182 146 A CA 2.439 54.349 52.037 -0.212 0.000 0.633 146 A CB -1.584 17.357 19.000 -0.098 0.000 0.819 146 A HN 0.653 nan 8.150 nan 0.000 0.448 147 A N -0.555 122.171 122.820 -0.157 0.000 1.877 147 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 147 A C 2.232 179.622 177.584 -0.323 0.000 1.186 147 A CA 1.932 53.855 52.037 -0.190 0.000 0.620 147 A CB -1.078 17.909 19.000 -0.022 0.000 0.822 147 A HN 0.494 nan 8.150 nan 0.000 0.443 148 V N -0.029 119.725 119.914 -0.268 0.000 2.332 148 V HA -0.264 3.855 4.120 -0.000 0.000 0.248 148 V C 2.520 178.432 176.094 -0.303 0.000 1.055 148 V CA 2.441 64.566 62.300 -0.292 0.000 1.038 148 V CB -0.721 31.045 31.823 -0.096 0.000 0.651 148 V HN 0.486 nan 8.190 nan 0.000 0.450 149 K N -0.151 120.016 120.400 -0.389 0.000 2.063 149 K HA -0.160 4.159 4.320 -0.000 0.000 0.208 149 K C 2.332 178.785 176.600 -0.245 0.000 1.048 149 K CA 1.359 57.440 56.287 -0.345 0.000 0.928 149 K CB -0.329 31.890 32.500 -0.469 0.000 0.713 149 K HN 0.409 nan 8.250 nan 0.000 0.442 150 Q N 0.109 119.751 119.800 -0.263 0.000 2.046 150 Q HA -0.091 4.249 4.340 -0.000 0.000 0.200 150 Q C 2.232 178.068 176.000 -0.273 0.000 0.975 150 Q CA 1.227 56.883 55.803 -0.245 0.000 0.836 150 Q CB -0.338 28.217 28.738 -0.305 0.000 0.896 150 Q HN 0.328 nan 8.270 nan 0.000 0.428 151 L N 0.785 121.782 121.223 -0.377 0.000 1.978 151 L HA -0.254 4.085 4.340 -0.000 0.000 0.218 151 L C 2.574 179.369 176.870 -0.124 0.000 1.075 151 L CA 1.778 56.434 54.840 -0.307 0.000 0.767 151 L CB -0.617 41.200 42.059 -0.404 0.000 0.890 151 L HN 0.346 nan 8.230 nan 0.000 0.434 152 E N -0.055 120.059 120.200 -0.143 0.000 2.110 152 E HA -0.191 4.158 4.350 -0.000 0.000 0.193 152 E C 2.077 178.645 176.600 -0.053 0.000 0.988 152 E CA 1.199 57.547 56.400 -0.086 0.000 0.804 152 E CB -0.071 29.578 29.700 -0.085 0.000 0.745 152 E HN 0.526 nan 8.360 nan 0.000 0.458 153 G N 1.183 109.945 108.800 -0.063 0.000 2.394 153 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.215 153 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.215 153 G C 1.213 176.124 174.900 0.017 0.000 1.165 153 G CA 1.070 46.152 45.100 -0.031 0.000 0.784 153 G HN 0.332 nan 8.290 nan 0.000 0.535 154 K N -2.595 117.840 120.400 0.060 0.000 2.972 154 K HA 0.408 4.728 4.320 -0.000 0.000 0.187 154 K C -0.334 176.451 176.600 0.307 0.000 1.122 154 K CA -0.434 55.941 56.287 0.146 0.000 1.080 154 K CB 0.006 32.587 32.500 0.136 0.000 0.720 154 K HN 0.159 nan 8.250 nan 0.000 0.429 155 Y N 0.593 120.886 120.300 -0.011 0.000 2.912 155 Y HA 0.377 4.927 4.550 -0.000 0.000 0.250 155 Y C 0.408 176.317 175.900 0.015 0.000 1.073 155 Y CA -0.478 57.622 58.100 -0.000 0.000 1.275 155 Y CB 0.599 39.037 38.460 -0.037 0.000 1.470 155 Y HN -0.046 nan 8.280 nan 0.000 0.447 156 L N 1.272 122.593 121.223 0.164 0.000 2.456 156 L HA 0.136 4.476 4.340 -0.000 0.000 0.272 156 L C -0.058 176.882 176.870 0.116 0.000 1.189 156 L CA -0.371 54.539 54.840 0.116 0.000 0.846 156 L CB 0.362 42.449 42.059 0.045 0.000 1.111 156 L HN -0.240 nan 8.230 nan 0.000 0.475 157 V N 3.397 123.415 119.914 0.173 0.000 2.521 157 V HA 0.095 4.215 4.120 -0.000 0.000 0.286 157 V C 0.278 176.458 176.094 0.144 0.000 1.034 157 V CA 0.069 62.488 62.300 0.198 0.000 1.045 157 V CB 0.563 32.552 31.823 0.278 0.000 0.974 157 V HN 0.917 nan 8.190 nan 0.000 0.480 158 Q N 3.733 123.584 119.800 0.085 0.000 2.626 158 Q HA 0.456 4.796 4.340 -0.000 0.000 0.300 158 Q C -0.856 175.126 176.000 -0.030 0.000 0.988 158 Q CA -0.983 54.732 55.803 -0.146 0.000 0.761 158 Q CB 1.737 30.383 28.738 -0.153 0.000 1.494 158 Q HN 0.521 nan 8.270 nan 0.000 0.439 159 N N 0.462 119.063 118.700 -0.164 0.000 2.414 159 N HA 0.178 4.918 4.740 -0.000 0.000 0.256 159 N C -0.197 175.300 175.510 -0.022 0.000 1.029 159 N CA -0.030 53.029 53.050 0.015 0.000 0.948 159 N CB 0.925 39.443 38.487 0.053 0.000 1.102 159 N HN 0.605 nan 8.380 nan 0.000 0.496 160 R N 2.195 122.702 120.500 0.011 0.000 2.299 160 R HA 0.056 4.396 4.340 -0.000 0.000 0.197 160 R C 1.286 177.587 176.300 0.002 0.000 0.971 160 R CA 0.342 56.443 56.100 0.001 0.000 1.030 160 R CB 0.427 30.734 30.300 0.012 0.000 0.932 160 R HN 0.434 nan 8.270 nan 0.000 0.477 161 V N -0.654 119.264 119.914 0.007 0.000 2.365 161 V HA -0.166 3.954 4.120 -0.000 0.000 0.232 161 V C 2.430 178.523 176.094 -0.001 0.000 1.065 161 V CA 1.930 64.234 62.300 0.006 0.000 1.054 161 V CB -1.030 30.800 31.823 0.013 0.000 0.685 161 V HN 0.380 nan 8.190 nan 0.000 0.480 162 T N -0.874 113.680 114.554 -0.001 0.000 2.721 162 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 162 T C 1.717 176.398 174.700 -0.031 0.000 1.038 162 T CA 2.462 64.557 62.100 -0.010 0.000 1.145 162 T CB -0.641 68.226 68.868 -0.002 0.000 0.858 162 T HN 1.540 nan 8.240 nan 0.000 0.459 163 G N 0.922 109.690 108.800 -0.054 0.000 2.194 163 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.236 163 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.236 163 G C -0.161 174.653 174.900 -0.144 0.000 0.987 163 G CA 0.095 45.151 45.100 -0.073 0.000 0.635 163 G HN 0.732 nan 8.290 nan 0.000 0.520 164 E N -0.068 120.008 120.200 -0.206 0.000 2.452 164 E HA 0.360 4.710 4.350 -0.000 0.000 0.261 164 E C -0.079 176.182 176.600 -0.565 0.000 0.987 164 E CA 0.099 56.291 56.400 -0.347 0.000 0.926 164 E CB 0.820 30.295 29.700 -0.376 0.000 0.934 164 E HN 0.294 nan 8.360 nan 0.000 0.452 165 I N 3.117 123.406 120.570 -0.468 0.000 2.336 165 I HA 0.039 4.209 4.170 -0.000 0.000 0.292 165 I C -0.215 175.643 176.117 -0.431 0.000 0.991 165 I CA -0.055 60.991 61.300 -0.423 0.000 1.227 165 I CB 0.691 38.540 38.000 -0.251 0.000 1.366 165 I HN 0.524 nan 8.210 nan 0.000 0.466 166 Y N 4.106 124.369 120.300 -0.061 0.000 2.462 166 Y HA 0.239 4.789 4.550 -0.000 0.000 0.261 166 Y C 0.872 176.816 175.900 0.073 0.000 1.146 166 Y CA -0.342 57.738 58.100 -0.033 0.000 1.283 166 Y CB -0.094 38.334 38.460 -0.053 0.000 1.090 166 Y HN 0.571 nan 8.280 nan 0.000 0.526 167 E N -0.745 119.554 120.200 0.165 0.000 2.459 167 E HA 0.570 4.920 4.350 -0.000 0.000 0.275 167 E C -1.082 175.574 176.600 0.092 0.000 0.987 167 E CA -0.971 55.607 56.400 0.297 0.000 0.828 167 E CB 1.963 31.970 29.700 0.511 0.000 1.428 167 E HN -0.104 nan 8.360 nan 0.000 0.457 168 S N -0.411 115.395 115.700 0.178 0.000 2.566 168 S HA 0.605 5.075 4.470 -0.000 0.000 0.298 168 S C 0.884 175.538 174.600 0.090 0.000 1.083 168 S CA -0.068 58.155 58.200 0.039 0.000 0.978 168 S CB 1.474 64.659 63.200 -0.025 0.000 1.073 168 S HN 0.854 nan 8.310 nan 0.000 0.491 169 A N 2.041 124.916 122.820 0.092 0.000 1.958 169 A HA -0.155 4.165 4.320 -0.000 0.000 0.221 169 A C 2.093 179.766 177.584 0.148 0.000 1.178 169 A CA 1.826 53.919 52.037 0.094 0.000 0.642 169 A CB -0.920 18.271 19.000 0.318 0.000 0.816 169 A HN 0.800 nan 8.150 nan 0.000 0.453 170 Q N -1.325 118.616 119.800 0.236 0.000 2.167 170 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 170 Q C 1.767 177.984 176.000 0.362 0.000 0.970 170 Q CA 1.033 57.036 55.803 0.333 0.000 0.855 170 Q CB -0.546 28.275 28.738 0.139 0.000 0.911 170 Q HN 0.712 nan 8.270 nan 0.000 0.438 171 F N 0.587 120.700 119.950 0.271 0.000 2.186 171 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 171 F C 2.220 178.146 175.800 0.210 0.000 1.090 171 F CA 0.107 58.241 58.000 0.223 0.000 1.307 171 F CB -1.162 37.953 39.000 0.191 0.000 1.019 171 F HN 0.060 nan 8.300 nan 0.000 0.489 172 L N -0.819 120.609 121.223 0.341 0.000 1.944 172 L HA -0.328 4.012 4.340 -0.000 0.000 0.218 172 L C 2.519 179.524 176.870 0.224 0.000 1.075 172 L CA 1.825 56.772 54.840 0.179 0.000 0.767 172 L CB -0.816 41.247 42.059 0.006 0.000 0.890 172 L HN 0.016 nan 8.230 nan 0.000 0.434 173 Y N -0.341 120.162 120.300 0.338 0.000 2.081 173 Y HA -0.329 4.221 4.550 -0.000 0.000 0.280 173 Y C 2.425 178.596 175.900 0.451 0.000 1.163 173 Y CA 1.773 60.090 58.100 0.360 0.000 1.135 173 Y CB -0.935 37.710 38.460 0.308 0.000 0.970 173 Y HN 0.267 nan 8.280 nan 0.000 0.498 174 I N -0.055 120.893 120.570 0.629 0.000 2.163 174 I HA -0.276 3.894 4.170 -0.000 0.000 0.243 174 I C 2.073 178.335 176.117 0.242 0.000 1.085 174 I CA 1.490 63.004 61.300 0.357 0.000 1.347 174 I CB -0.766 37.299 38.000 0.108 0.000 1.044 174 I HN 0.162 nan 8.210 nan 0.000 0.408 175 L N -1.198 120.143 121.223 0.196 0.000 2.217 175 L HA -0.114 4.225 4.340 -0.000 0.000 0.211 175 L C 2.384 179.288 176.870 0.056 0.000 1.107 175 L CA 0.438 55.314 54.840 0.059 0.000 0.783 175 L CB -0.627 41.377 42.059 -0.091 0.000 0.919 175 L HN 0.061 nan 8.230 nan 0.000 0.442 176 V N 0.240 120.236 119.914 0.136 0.000 2.358 176 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 176 V C 2.796 178.926 176.094 0.059 0.000 1.047 176 V CA 1.717 64.065 62.300 0.081 0.000 1.035 176 V CB -0.917 31.014 31.823 0.181 0.000 0.658 176 V HN 0.456 nan 8.190 nan 0.000 0.452 177 A N 0.440 123.399 122.820 0.230 0.000 1.845 177 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 177 A C 2.494 180.171 177.584 0.156 0.000 1.195 177 A CA 2.354 54.535 52.037 0.239 0.000 0.616 177 A CB -1.107 18.147 19.000 0.423 0.000 0.832 177 A HN 0.568 nan 8.150 nan 0.000 0.443 178 A N -0.818 122.059 122.820 0.096 0.000 1.892 178 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 178 A C 2.372 180.041 177.584 0.141 0.000 1.188 178 A CA 2.016 54.076 52.037 0.037 0.000 0.631 178 A CB -1.491 17.353 19.000 -0.261 0.000 0.822 178 A HN 0.657 nan 8.150 nan 0.000 0.447 179 C N -0.766 118.547 119.300 0.021 0.000 2.436 179 C HA -0.081 4.379 4.460 -0.000 0.000 0.277 179 C C 2.616 177.442 174.990 -0.272 0.000 1.241 179 C CA 1.009 59.985 59.018 -0.069 0.000 1.721 179 C CB -1.539 26.073 27.740 -0.212 0.000 2.043 179 C HN 0.625 nan 8.230 nan 0.000 0.472 180 L N -0.848 120.119 121.223 -0.427 0.000 2.127 180 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 180 L C 1.562 178.021 176.870 -0.685 0.000 1.089 180 L CA 1.740 56.187 54.840 -0.654 0.000 0.757 180 L CB -0.495 41.084 42.059 -0.800 0.000 0.899 180 L HN 0.337 nan 8.230 nan 0.000 0.434 181 F N -1.098 118.718 119.950 -0.222 0.000 2.647 181 F HA 0.056 4.583 4.527 -0.000 0.000 0.300 181 F C 2.266 178.105 175.800 0.065 0.000 1.106 181 F CA 0.188 58.063 58.000 -0.208 0.000 1.313 181 F CB -0.151 38.618 39.000 -0.384 0.000 1.007 181 F HN 0.008 nan 8.300 nan 0.000 0.536 182 S N -0.039 115.784 115.700 0.204 0.000 2.382 182 S HA -0.208 4.262 4.470 -0.000 0.000 0.228 182 S C 1.639 176.294 174.600 0.092 0.000 1.027 182 S CA 1.551 59.846 58.200 0.158 0.000 0.991 182 S CB -0.346 62.959 63.200 0.176 0.000 0.823 182 S HN 0.297 nan 8.310 nan 0.000 0.469 183 N N 0.560 119.350 118.700 0.151 0.000 2.449 183 N HA 0.223 4.963 4.740 -0.000 0.000 0.191 183 N C -0.790 174.782 175.510 0.103 0.000 1.161 183 N CA 0.077 53.181 53.050 0.089 0.000 0.863 183 N CB -0.391 38.124 38.487 0.047 0.000 0.980 183 N HN 0.484 nan 8.380 nan 0.000 0.458 184 Y N 1.576 121.891 120.300 0.025 0.000 2.336 184 Y HA 0.191 4.741 4.550 -0.000 0.000 0.331 184 Y C -1.574 174.347 175.900 0.034 0.000 1.211 184 Y CA -2.248 55.883 58.100 0.052 0.000 1.346 184 Y CB 0.149 38.694 38.460 0.141 0.000 1.271 184 Y HN 0.034 nan 8.280 nan 0.000 0.538 185 P HA -0.052 nan 4.420 nan 0.000 0.263 185 P C 0.199 177.557 177.300 0.097 0.000 1.175 185 P CA 0.095 63.227 63.100 0.054 0.000 0.761 185 P CB 0.730 32.449 31.700 0.031 0.000 0.794 186 R N 2.891 123.420 120.500 0.050 0.000 2.117 186 R HA -0.198 4.141 4.340 -0.000 0.000 0.243 186 R C 1.875 178.216 176.300 0.067 0.000 1.143 186 R CA 1.403 57.531 56.100 0.048 0.000 0.968 186 R CB -0.976 29.332 30.300 0.013 0.000 0.863 186 R HN 0.608 nan 8.270 nan 0.000 0.444 187 E N 0.284 120.519 120.200 0.059 0.000 2.114 187 E HA -0.186 4.164 4.350 -0.000 0.000 0.199 187 E C 1.074 177.720 176.600 0.076 0.000 1.008 187 E CA 2.280 58.712 56.400 0.054 0.000 0.810 187 E CB 0.202 29.928 29.700 0.043 0.000 0.739 187 E HN 0.564 nan 8.360 nan 0.000 0.456 188 T N -3.101 111.539 114.554 0.144 0.000 2.959 188 T HA 0.166 4.516 4.350 -0.000 0.000 0.254 188 T C 1.547 176.403 174.700 0.260 0.000 1.003 188 T CA 0.026 62.234 62.100 0.180 0.000 0.950 188 T CB 0.131 69.188 68.868 0.315 0.000 1.090 188 T HN 0.009 nan 8.240 nan 0.000 0.503 189 R N 1.461 122.139 120.500 0.295 0.000 2.179 189 R HA -0.073 4.267 4.340 -0.000 0.000 0.238 189 R C 2.119 178.532 176.300 0.188 0.000 1.119 189 R CA 2.005 58.273 56.100 0.280 0.000 0.915 189 R CB -0.877 29.571 30.300 0.246 0.000 0.870 189 R HN 0.382 nan 8.270 nan 0.000 0.432 190 L N 0.405 121.735 121.223 0.179 0.000 2.201 190 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 190 L C 2.818 179.746 176.870 0.098 0.000 1.105 190 L CA 1.461 56.428 54.840 0.212 0.000 0.775 190 L CB -0.572 41.638 42.059 0.250 0.000 0.913 190 L HN 0.554 nan 8.230 nan 0.000 0.440 191 Q N -0.210 119.570 119.800 -0.032 0.000 2.016 191 Q HA -0.245 4.094 4.340 -0.000 0.000 0.200 191 Q C 2.288 178.084 176.000 -0.339 0.000 0.978 191 Q CA 1.838 57.510 55.803 -0.219 0.000 0.833 191 Q CB -0.263 28.323 28.738 -0.254 0.000 0.895 191 Q HN 0.353 nan 8.270 nan 0.000 0.427 192 Y N 0.372 120.469 120.300 -0.339 0.000 2.114 192 Y HA -0.276 4.274 4.550 -0.000 0.000 0.282 192 Y C 2.454 177.963 175.900 -0.652 0.000 1.165 192 Y CA 1.436 59.136 58.100 -0.667 0.000 1.148 192 Y CB -0.687 37.081 38.460 -1.154 0.000 0.972 192 Y HN -0.006 nan 8.280 nan 0.000 0.504 193 V N 0.334 120.118 119.914 -0.218 0.000 2.231 193 V HA -0.386 3.734 4.120 -0.000 0.000 0.248 193 V C 2.436 178.533 176.094 0.005 0.000 1.054 193 V CA 2.381 64.672 62.300 -0.015 0.000 1.015 193 V CB -0.735 31.181 31.823 0.155 0.000 0.638 193 V HN 0.352 nan 8.190 nan 0.000 0.444 194 K N -0.147 120.111 120.400 -0.237 0.000 2.020 194 K HA -0.256 4.064 4.320 -0.000 0.000 0.212 194 K C 2.414 178.865 176.600 -0.248 0.000 1.050 194 K CA 1.961 57.891 56.287 -0.596 0.000 0.929 194 K CB -0.215 31.342 32.500 -1.573 0.000 0.714 194 K HN 0.374 nan 8.250 nan 0.000 0.443 195 R N -0.399 119.947 120.500 -0.256 0.000 2.097 195 R HA -0.192 4.148 4.340 -0.000 0.000 0.236 195 R C 2.412 178.675 176.300 -0.062 0.000 1.135 195 R CA 1.969 57.962 56.100 -0.179 0.000 0.934 195 R CB -0.831 29.342 30.300 -0.212 0.000 0.846 195 R HN 0.261 nan 8.270 nan 0.000 0.431 196 F N 0.973 120.836 119.950 -0.146 0.000 2.095 196 F HA -0.314 4.213 4.527 -0.000 0.000 0.298 196 F C 2.451 178.225 175.800 -0.042 0.000 1.104 196 F CA 1.678 59.649 58.000 -0.047 0.000 1.232 196 F CB -0.719 38.316 39.000 0.058 0.000 0.987 196 F HN 0.037 nan 8.300 nan 0.000 0.475 197 Y N 1.401 121.777 120.300 0.126 0.000 2.040 197 Y HA -0.367 4.182 4.550 -0.000 0.000 0.275 197 Y C 2.338 178.138 175.900 -0.168 0.000 1.171 197 Y CA 2.288 60.413 58.100 0.041 0.000 1.123 197 Y CB -1.105 37.408 38.460 0.089 0.000 0.963 197 Y HN 0.102 nan 8.280 nan 0.000 0.493 198 D N 0.296 120.492 120.400 -0.340 0.000 2.137 198 D HA -0.287 4.352 4.640 -0.000 0.000 0.189 198 D C 2.384 178.367 176.300 -0.528 0.000 0.998 198 D CA 2.045 55.772 54.000 -0.455 0.000 0.839 198 D CB -1.010 39.654 40.800 -0.227 0.000 0.962 198 D HN 0.522 nan 8.370 nan 0.000 0.446 199 A N 0.602 123.174 122.820 -0.414 0.000 1.884 199 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 199 A C 2.559 179.816 177.584 -0.544 0.000 1.197 199 A CA 3.272 55.058 52.037 -0.418 0.000 0.637 199 A CB -1.120 17.658 19.000 -0.369 0.000 0.827 199 A HN 0.268 nan 8.150 nan 0.000 0.450 200 V N -1.560 117.927 119.914 -0.712 0.000 2.453 200 V HA -0.139 3.981 4.120 -0.000 0.000 0.247 200 V C 2.304 177.729 176.094 -1.115 0.000 1.048 200 V CA 2.317 64.178 62.300 -0.732 0.000 1.049 200 V CB -1.338 30.135 31.823 -0.583 0.000 0.672 200 V HN 0.657 nan 8.190 nan 0.000 0.457 201 S N 1.694 116.595 115.700 -1.333 0.000 2.481 201 S HA -0.102 4.367 4.470 -0.000 0.000 0.231 201 S C 1.666 175.515 174.600 -1.252 0.000 0.996 201 S CA 1.195 58.563 58.200 -1.386 0.000 0.942 201 S CB -0.909 61.633 63.200 -1.096 0.000 0.768 201 S HN 0.906 nan 8.310 nan 0.000 0.520 202 T N -1.725 112.239 114.554 -0.983 0.000 3.243 202 T HA 0.390 4.740 4.350 -0.000 0.000 0.264 202 T C 0.166 174.497 174.700 -0.614 0.000 1.000 202 T CA -0.739 60.859 62.100 -0.837 0.000 0.901 202 T CB -1.183 67.399 68.868 -0.476 0.000 1.083 202 T HN 0.212 nan 8.240 nan 0.000 0.559 203 F N -0.392 119.403 119.950 -0.258 0.000 3.093 203 F HA -0.244 4.284 4.527 0.000 0.000 0.283 203 F C 1.303 177.042 175.800 -0.101 0.000 0.848 203 F CA 0.346 58.259 58.000 -0.145 0.000 1.059 203 F CB -2.416 36.542 39.000 -0.070 0.000 1.191 203 F HN 0.288 nan 8.300 nan 0.000 0.514 204 K N 0.328 120.699 120.400 -0.047 0.000 2.057 204 K HA 0.189 4.509 4.320 -0.000 0.000 0.206 204 K C 0.858 177.485 176.600 0.044 0.000 1.050 204 K CA 1.230 57.509 56.287 -0.013 0.000 0.935 204 K CB 0.159 32.605 32.500 -0.090 0.000 0.715 204 K HN 0.430 nan 8.250 nan 0.000 0.439 205 I N -0.025 120.525 120.570 -0.033 0.000 2.441 205 I HA 0.158 4.328 4.170 -0.000 0.000 0.295 205 I C -0.383 175.730 176.117 -0.007 0.000 0.994 205 I CA -0.614 60.674 61.300 -0.021 0.000 1.144 205 I CB 2.120 40.036 38.000 -0.140 0.000 1.314 205 I HN -0.110 nan 8.210 nan 0.000 0.445 206 S N 5.745 121.464 115.700 0.030 0.000 2.593 206 S HA 0.776 5.246 4.470 -0.000 0.000 0.297 206 S C -0.643 174.012 174.600 0.092 0.000 1.112 206 S CA -0.497 57.762 58.200 0.098 0.000 1.043 206 S CB 1.219 64.481 63.200 0.104 0.000 1.054 206 S HN 0.335 nan 8.310 nan 0.000 0.516 207 L N 3.048 124.368 121.223 0.162 0.000 2.388 207 L HA 0.507 4.847 4.340 -0.000 0.000 0.264 207 L C -2.362 174.581 176.870 0.123 0.000 0.998 207 L CA -2.308 52.606 54.840 0.123 0.000 0.817 207 L CB 2.263 44.403 42.059 0.135 0.000 1.338 207 L HN 0.451 nan 8.230 nan 0.000 0.414 208 P HA 0.018 nan 4.420 nan 0.000 0.267 208 P C 0.405 177.722 177.300 0.028 0.000 1.195 208 P CA 0.014 63.153 63.100 0.065 0.000 0.773 208 P CB 0.475 32.201 31.700 0.042 0.000 0.837 209 T N 2.625 117.216 114.554 0.062 0.000 2.708 209 T HA -0.073 4.277 4.350 -0.000 0.000 0.266 209 T C -0.861 173.796 174.700 -0.071 0.000 1.037 209 T CA 1.920 64.020 62.100 -0.001 0.000 1.146 209 T CB -1.739 67.216 68.868 0.146 0.000 0.865 209 T HN 0.537 nan 8.240 nan 0.000 0.435 210 P HA -0.044 nan 4.420 nan 0.000 0.215 210 P C 1.572 178.941 177.300 0.114 0.000 1.157 210 P CA 1.150 64.311 63.100 0.102 0.000 0.874 210 P CB -0.255 31.533 31.700 0.147 0.000 0.790 211 I N -1.152 119.418 120.570 -0.001 0.000 2.142 211 I HA -0.214 3.956 4.170 -0.000 0.000 0.240 211 I C 2.626 178.631 176.117 -0.186 0.000 1.078 211 I CA 1.467 62.673 61.300 -0.157 0.000 1.343 211 I CB -0.663 37.244 38.000 -0.154 0.000 1.046 211 I HN -0.137 nan 8.210 nan 0.000 0.405 212 M N 0.498 119.941 119.600 -0.261 0.000 2.229 212 M HA -0.122 4.358 4.480 -0.000 0.000 0.264 212 M C 2.576 178.662 176.300 -0.357 0.000 1.063 212 M CA 1.768 56.834 55.300 -0.390 0.000 1.114 212 M CB -1.180 30.878 32.600 -0.902 0.000 1.387 212 M HN 0.369 nan 8.290 nan 0.000 0.420 213 S N -0.641 114.870 115.700 -0.316 0.000 2.436 213 S HA 0.053 4.522 4.470 -0.000 0.000 0.228 213 S C 1.945 176.573 174.600 0.047 0.000 1.014 213 S CA 0.919 59.056 58.200 -0.104 0.000 0.950 213 S CB -0.603 62.572 63.200 -0.042 0.000 0.784 213 S HN 0.498 nan 8.310 nan 0.000 0.504 214 G N 1.060 109.928 108.800 0.113 0.000 2.645 214 G HA2 0.256 4.216 3.960 -0.000 0.000 0.207 214 G HA3 0.256 4.216 3.960 -0.000 0.000 0.207 214 G C 0.238 175.320 174.900 0.302 0.000 1.145 214 G CA -0.039 45.237 45.100 0.294 0.000 0.831 214 G HN 0.373 nan 8.290 nan 0.000 0.563 215 V N 2.910 122.836 119.914 0.020 0.000 2.452 215 V HA 0.190 4.310 4.120 -0.000 0.000 0.286 215 V C 1.231 177.329 176.094 0.008 0.000 0.995 215 V CA 1.776 64.007 62.300 -0.114 0.000 1.116 215 V CB -0.321 31.230 31.823 -0.454 0.000 0.954 215 V HN 0.842 nan 8.190 nan 0.000 0.473 216 R N 2.379 122.943 120.500 0.106 0.000 1.837 216 R HA -0.107 4.233 4.340 -0.000 0.000 0.350 216 R C 0.366 176.734 176.300 0.113 0.000 0.201 216 R CA 0.636 56.741 56.100 0.008 0.000 1.435 216 R CB -1.490 28.713 30.300 -0.162 0.000 1.783 216 R HN 0.696 nan 8.270 nan 0.000 0.187 217 T N -1.388 113.293 114.554 0.212 0.000 2.897 217 T HA 0.588 4.938 4.350 -0.000 0.000 0.278 217 T C -2.001 172.799 174.700 0.167 0.000 0.981 217 T CA -1.436 60.799 62.100 0.225 0.000 0.973 217 T CB 1.865 70.857 68.868 0.207 0.000 1.092 217 T HN -0.091 nan 8.240 nan 0.000 0.543 218 P HA 0.110 nan 4.420 nan 0.000 0.234 218 P C 0.758 178.047 177.300 -0.018 0.000 1.167 218 P CA 0.385 63.494 63.100 0.015 0.000 0.763 218 P CB -0.194 31.501 31.700 -0.009 0.000 0.835 219 T N 0.020 114.576 114.554 0.003 0.000 2.726 219 T HA 0.192 4.542 4.350 -0.000 0.000 0.294 219 T C 0.870 175.453 174.700 -0.196 0.000 1.013 219 T CA -0.064 61.969 62.100 -0.113 0.000 0.996 219 T CB 0.227 69.019 68.868 -0.126 0.000 1.016 219 T HN -0.135 nan 8.240 nan 0.000 0.529 220 R N 1.271 121.493 120.500 -0.463 0.000 2.517 220 R HA 0.168 4.507 4.340 -0.000 0.000 0.434 220 R C -0.907 174.861 176.300 -0.887 0.000 0.884 220 R CA -0.324 55.420 56.100 -0.593 0.000 1.090 220 R CB 0.569 30.695 30.300 -0.291 0.000 1.601 220 R HN 0.511 nan 8.270 nan 0.000 0.579 221 Q N 0.329 119.489 119.800 -1.067 0.000 2.425 221 Q HA 0.371 4.711 4.340 -0.000 0.000 0.254 221 Q C -0.225 175.331 176.000 -0.740 0.000 1.032 221 Q CA -0.175 55.214 55.803 -0.689 0.000 0.798 221 Q CB 0.686 29.210 28.738 -0.358 0.000 1.210 221 Q HN 0.043 nan 8.270 nan 0.000 0.491 222 F N -0.782 119.150 119.950 -0.030 0.000 2.772 222 F HA 0.097 4.624 4.527 -0.000 0.000 0.316 222 F C 0.954 176.746 175.800 -0.013 0.000 1.114 222 F CA -0.667 57.324 58.000 -0.014 0.000 1.191 222 F CB 0.341 39.337 39.000 -0.006 0.000 1.065 222 F HN 0.129 nan 8.300 nan 0.000 0.534 223 S N -0.635 115.123 115.700 0.097 0.000 2.549 223 S HA 0.171 4.641 4.470 -0.000 0.000 0.286 223 S C 0.987 175.618 174.600 0.052 0.000 1.314 223 S CA -0.047 58.193 58.200 0.066 0.000 1.062 223 S CB 1.493 64.749 63.200 0.093 0.000 0.865 223 S HN 0.172 nan 8.310 nan 0.000 0.498 224 S N 1.329 117.043 115.700 0.024 0.000 2.510 224 S HA 0.255 4.725 4.470 -0.000 0.000 0.230 224 S C 0.497 175.085 174.600 -0.020 0.000 1.066 224 S CA 0.266 58.477 58.200 0.018 0.000 0.941 224 S CB -0.262 62.951 63.200 0.022 0.000 0.829 224 S HN 1.023 nan 8.310 nan 0.000 0.530 225 c N 1.302 119.866 118.600 -0.061 0.000 3.170 225 c HA 0.901 5.471 4.570 -0.000 0.000 0.319 225 c C -0.543 173.438 174.090 -0.182 0.000 1.260 225 c CA -1.455 54.810 56.329 -0.105 0.000 1.374 225 c CB 0.899 43.367 42.510 -0.069 0.000 1.739 225 c HN 0.316 nan 8.230 nan 0.000 0.479 226 V N -0.442 119.320 119.914 -0.254 0.000 3.001 226 V HA 0.928 5.048 4.120 -0.000 0.000 0.314 226 V C -1.263 174.724 176.094 -0.178 0.000 1.099 226 V CA -0.761 61.350 62.300 -0.315 0.000 0.989 226 V CB 1.712 33.134 31.823 -0.668 0.000 1.040 226 V HN 0.798 nan 8.190 nan 0.000 0.434 227 L N 4.068 125.209 121.223 -0.136 0.000 2.343 227 L HA 0.655 4.995 4.340 -0.000 0.000 0.278 227 L C -0.472 176.351 176.870 -0.079 0.000 0.996 227 L CA 0.045 54.830 54.840 -0.093 0.000 0.831 227 L CB 1.409 43.407 42.059 -0.101 0.000 1.232 227 L HN 0.613 nan 8.230 nan 0.000 0.413 228 I N 2.220 122.750 120.570 -0.068 0.000 2.441 228 I HA 0.417 4.587 4.170 -0.000 0.000 0.295 228 I C -0.067 176.013 176.117 -0.062 0.000 0.994 228 I CA -0.514 60.753 61.300 -0.056 0.000 1.144 228 I CB 1.952 39.916 38.000 -0.060 0.000 1.314 228 I HN 0.571 nan 8.210 nan 0.000 0.445 229 E N 5.417 125.590 120.200 -0.045 0.000 2.151 229 E HA 0.326 4.676 4.350 -0.000 0.000 0.275 229 E C -1.535 175.055 176.600 -0.016 0.000 0.936 229 E CA -0.626 55.755 56.400 -0.032 0.000 0.777 229 E CB 1.751 31.430 29.700 -0.035 0.000 1.108 229 E HN 0.692 nan 8.360 nan 0.000 0.401 230 C N 4.329 123.628 119.300 -0.001 0.000 2.369 230 C HA 0.728 5.188 4.460 -0.000 0.000 0.358 230 C C 0.808 175.830 174.990 0.054 0.000 1.274 230 C CA -0.138 58.905 59.018 0.041 0.000 1.935 230 C CB -0.430 27.372 27.740 0.103 0.000 2.431 230 C HN 0.842 nan 8.230 nan 0.000 0.545 231 G N 2.936 111.765 108.800 0.048 0.000 2.502 231 G HA2 0.306 4.266 3.960 -0.000 0.000 0.305 231 G HA3 0.306 4.266 3.960 -0.000 0.000 0.305 231 G C -0.374 174.555 174.900 0.049 0.000 1.190 231 G CA -0.136 44.977 45.100 0.021 0.000 0.933 231 G HN 0.773 nan 8.290 nan 0.000 0.503 232 D N -0.404 119.995 120.400 -0.001 0.000 2.801 232 D HA 0.307 4.947 4.640 -0.000 0.000 0.232 232 D C 0.295 176.598 176.300 0.005 0.000 1.128 232 D CA 0.008 53.995 54.000 -0.023 0.000 1.003 232 D CB -0.505 40.191 40.800 -0.172 0.000 1.110 232 D HN 0.439 nan 8.370 nan 0.000 0.477 233 S N 0.149 115.977 115.700 0.214 0.000 2.533 233 S HA 0.260 4.730 4.470 -0.000 0.000 0.271 233 S C 0.967 175.688 174.600 0.201 0.000 1.143 233 S CA -0.904 57.449 58.200 0.255 0.000 0.891 233 S CB 0.895 64.153 63.200 0.097 0.000 1.105 233 S HN 0.108 nan 8.310 nan 0.000 0.468 234 L N 1.248 122.564 121.223 0.154 0.000 2.042 234 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 234 L C 2.022 178.908 176.870 0.026 0.000 1.076 234 L CA 1.616 56.447 54.840 -0.015 0.000 0.749 234 L CB -0.628 41.431 42.059 -0.000 0.000 0.893 234 L HN 0.721 nan 8.230 nan 0.000 0.432 235 D N -0.631 119.803 120.400 0.057 0.000 2.116 235 D HA -0.206 4.434 4.640 -0.000 0.000 0.193 235 D C 2.362 178.701 176.300 0.064 0.000 0.998 235 D CA 1.701 55.734 54.000 0.056 0.000 0.836 235 D CB -0.090 40.741 40.800 0.052 0.000 0.951 235 D HN 0.153 nan 8.370 nan 0.000 0.449 236 S N -0.245 115.496 115.700 0.068 0.000 2.355 236 S HA -0.069 4.401 4.470 -0.000 0.000 0.222 236 S C 2.191 176.860 174.600 0.115 0.000 1.031 236 S CA 0.423 58.671 58.200 0.079 0.000 0.993 236 S CB -0.214 63.030 63.200 0.073 0.000 0.859 236 S HN 0.175 nan 8.310 nan 0.000 0.453 237 I N 1.932 122.561 120.570 0.098 0.000 2.151 237 I HA -0.249 3.921 4.170 -0.000 0.000 0.243 237 I C 2.299 178.558 176.117 0.236 0.000 1.080 237 I CA 1.220 62.611 61.300 0.152 0.000 1.339 237 I CB -0.580 37.301 38.000 -0.198 0.000 1.039 237 I HN 0.305 nan 8.210 nan 0.000 0.409 238 N N 1.026 119.812 118.700 0.144 0.000 2.084 238 N HA -0.122 4.618 4.740 -0.000 0.000 0.190 238 N C 1.906 177.512 175.510 0.161 0.000 1.030 238 N CA 1.754 54.902 53.050 0.164 0.000 0.849 238 N CB -0.429 38.121 38.487 0.104 0.000 1.012 238 N HN 0.364 nan 8.380 nan 0.000 0.423 239 A N 0.115 123.009 122.820 0.123 0.000 1.902 239 A HA -0.130 4.189 4.320 -0.000 0.000 0.217 239 A C 2.381 180.029 177.584 0.107 0.000 1.181 239 A CA 2.076 54.172 52.037 0.099 0.000 0.623 239 A CB -1.186 17.860 19.000 0.076 0.000 0.818 239 A HN 0.314 nan 8.150 nan 0.000 0.443 240 T N -0.484 114.145 114.554 0.124 0.000 2.635 240 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 240 T C 2.307 177.066 174.700 0.098 0.000 1.040 240 T CA 1.934 64.077 62.100 0.072 0.000 1.156 240 T CB -0.396 68.490 68.868 0.030 0.000 0.863 240 T HN 0.566 nan 8.240 nan 0.000 0.430 241 S N 0.439 116.286 115.700 0.246 0.000 2.353 241 S HA -0.143 4.327 4.470 -0.000 0.000 0.222 241 S C 2.387 177.063 174.600 0.127 0.000 1.035 241 S CA 1.880 60.220 58.200 0.234 0.000 1.025 241 S CB -0.581 62.791 63.200 0.287 0.000 0.902 241 S HN 0.458 nan 8.310 nan 0.000 0.440 242 S N 1.618 117.389 115.700 0.118 0.000 2.359 242 S HA -0.111 4.358 4.470 -0.000 0.000 0.222 242 S C 2.270 176.905 174.600 0.058 0.000 1.038 242 S CA 1.301 59.547 58.200 0.077 0.000 1.051 242 S CB -1.023 62.217 63.200 0.067 0.000 0.944 242 S HN 0.751 nan 8.310 nan 0.000 0.433 243 A N 1.698 124.560 122.820 0.070 0.000 1.903 243 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 243 A C 2.078 179.743 177.584 0.135 0.000 1.191 243 A CA 1.856 53.950 52.037 0.095 0.000 0.638 243 A CB -1.025 18.051 19.000 0.127 0.000 0.823 243 A HN 0.521 nan 8.150 nan 0.000 0.451 244 I N -0.504 120.129 120.570 0.105 0.000 2.163 244 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 244 I C 2.361 178.534 176.117 0.093 0.000 1.085 244 I CA 1.559 62.919 61.300 0.099 0.000 1.347 244 I CB -0.622 37.407 38.000 0.049 0.000 1.044 244 I HN 0.187 nan 8.210 nan 0.000 0.408 245 V N 0.946 120.895 119.914 0.059 0.000 2.343 245 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 245 V C 2.552 178.655 176.094 0.015 0.000 1.051 245 V CA 1.692 64.013 62.300 0.036 0.000 1.036 245 V CB -0.734 31.105 31.823 0.027 0.000 0.654 245 V HN 0.368 nan 8.190 nan 0.000 0.451 246 K N -0.772 119.616 120.400 -0.020 0.000 2.026 246 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 246 K C 2.133 178.657 176.600 -0.127 0.000 1.048 246 K CA 1.736 57.957 56.287 -0.111 0.000 0.929 246 K CB -0.536 31.839 32.500 -0.209 0.000 0.713 246 K HN 0.479 nan 8.250 nan 0.000 0.439 247 Y N 0.961 121.259 120.300 -0.003 0.000 2.293 247 Y HA -0.150 4.400 4.550 -0.001 0.000 0.291 247 Y C 2.269 178.165 175.900 -0.006 0.000 1.137 247 Y CA 0.782 58.878 58.100 -0.007 0.000 1.202 247 Y CB -0.443 38.015 38.460 -0.003 0.000 0.990 247 Y HN -0.094 nan 8.280 nan 0.000 0.537 248 V N -2.721 117.276 119.914 0.139 0.000 2.951 248 V HA -0.076 4.044 4.120 -0.000 0.000 0.255 248 V C 2.072 178.200 176.094 0.056 0.000 1.088 248 V CA 1.265 63.618 62.300 0.088 0.000 1.109 248 V CB -0.896 30.964 31.823 0.063 0.000 0.724 248 V HN 0.401 nan 8.190 nan 0.000 0.471 249 S N 0.311 116.032 115.700 0.035 0.000 2.474 249 S HA -0.132 4.338 4.470 -0.000 0.000 0.235 249 S C 1.640 176.244 174.600 0.007 0.000 0.997 249 S CA 1.225 59.431 58.200 0.010 0.000 0.949 249 S CB -0.531 62.662 63.200 -0.011 0.000 0.766 249 S HN 0.735 nan 8.310 nan 0.000 0.517 250 Q N 0.222 120.037 119.800 0.024 0.000 2.201 250 Q HA 0.416 4.756 4.340 -0.000 0.000 0.236 250 Q C -0.219 175.814 176.000 0.056 0.000 0.857 250 Q CA -0.345 55.473 55.803 0.025 0.000 1.025 250 Q CB 0.121 28.870 28.738 0.017 0.000 1.124 250 Q HN 0.491 nan 8.270 nan 0.000 0.473 251 R N -1.526 119.006 120.500 0.054 0.000 3.946 251 R HA -0.228 4.112 4.340 -0.000 0.000 0.329 251 R C -0.212 176.124 176.300 0.060 0.000 1.209 251 R CA 0.589 56.721 56.100 0.052 0.000 0.909 251 R CB -2.212 28.114 30.300 0.044 0.000 1.355 251 R HN 0.301 nan 8.270 nan 0.000 0.539 252 A N 0.667 123.535 122.820 0.080 0.000 2.371 252 A HA 0.613 4.933 4.320 -0.000 0.000 0.257 252 A C 0.948 178.546 177.584 0.023 0.000 1.089 252 A CA 0.319 52.385 52.037 0.047 0.000 0.794 252 A CB 0.579 19.606 19.000 0.044 0.000 1.029 252 A HN 0.302 nan 8.150 nan 0.000 0.488 253 G N 0.631 109.428 108.800 -0.004 0.000 2.372 253 G HA2 0.516 4.476 3.960 -0.000 0.000 0.283 253 G HA3 0.516 4.476 3.960 -0.000 0.000 0.283 253 G C -0.322 174.562 174.900 -0.027 0.000 1.177 253 G CA -0.415 44.685 45.100 -0.000 0.000 0.842 253 G HN 0.510 nan 8.290 nan 0.000 0.503 254 I N 1.325 121.886 120.570 -0.015 0.000 2.441 254 I HA 0.474 4.644 4.170 -0.000 0.000 0.295 254 I C 0.649 176.761 176.117 -0.008 0.000 0.994 254 I CA -0.808 60.473 61.300 -0.033 0.000 1.144 254 I CB 1.341 39.323 38.000 -0.030 0.000 1.314 254 I HN 0.514 nan 8.210 nan 0.000 0.445 255 G N 6.678 115.483 108.800 0.008 0.000 2.502 255 G HA2 0.705 4.665 3.960 -0.000 0.000 0.311 255 G HA3 0.705 4.665 3.960 -0.000 0.000 0.311 255 G C -0.781 174.175 174.900 0.095 0.000 1.270 255 G CA -0.291 44.889 45.100 0.133 0.000 0.948 255 G HN 0.450 nan 8.290 nan 0.000 0.487 256 I N 2.177 122.803 120.570 0.093 0.000 2.404 256 I HA 0.242 4.412 4.170 -0.000 0.000 0.293 256 I C -0.436 175.763 176.117 0.136 0.000 0.992 256 I CA -1.022 60.268 61.300 -0.016 0.000 1.149 256 I CB 2.119 39.985 38.000 -0.222 0.000 1.315 256 I HN 0.327 nan 8.210 nan 0.000 0.446 257 N N 5.268 124.019 118.700 0.084 0.000 2.426 257 N HA 0.511 5.251 4.740 -0.000 0.000 0.257 257 N C -0.269 175.326 175.510 0.141 0.000 1.002 257 N CA -0.254 52.901 53.050 0.174 0.000 0.942 257 N CB 1.675 40.219 38.487 0.094 0.000 1.112 257 N HN 0.733 nan 8.380 nan 0.000 0.499 258 A N 2.290 125.238 122.820 0.214 0.000 2.605 258 A HA 0.363 4.683 4.320 -0.000 0.000 0.292 258 A C 1.368 179.161 177.584 0.347 0.000 1.055 258 A CA 0.007 52.202 52.037 0.263 0.000 0.969 258 A CB -0.253 18.923 19.000 0.292 0.000 1.236 258 A HN 0.644 nan 8.150 nan 0.000 0.534 259 G N 0.497 109.514 108.800 0.363 0.000 2.443 259 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.219 259 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.219 259 G C 1.441 176.535 174.900 0.324 0.000 1.131 259 G CA 0.720 46.075 45.100 0.425 0.000 0.775 259 G HN 0.525 nan 8.290 nan 0.000 0.547 260 R N -0.398 120.152 120.500 0.084 0.000 2.275 260 R HA 0.264 4.604 4.340 -0.000 0.000 0.199 260 R C 0.648 176.999 176.300 0.085 0.000 0.989 260 R CA -0.280 55.750 56.100 -0.117 0.000 1.016 260 R CB -0.048 30.053 30.300 -0.332 0.000 0.918 260 R HN 0.301 nan 8.270 nan 0.000 0.473 261 I N 3.468 124.169 120.570 0.218 0.000 2.741 261 I HA -0.101 4.069 4.170 -0.000 0.000 0.288 261 I C 0.647 176.955 176.117 0.319 0.000 1.192 261 I CA 0.139 61.612 61.300 0.290 0.000 1.426 261 I CB 0.274 38.511 38.000 0.395 0.000 1.367 261 I HN 0.203 nan 8.210 nan 0.000 0.563 262 R N 6.062 126.654 120.500 0.154 0.000 2.694 262 R HA 0.539 4.879 4.340 -0.000 0.000 0.268 262 R C -0.036 176.400 176.300 0.227 0.000 1.061 262 R CA -0.690 55.469 56.100 0.099 0.000 1.133 262 R CB 0.257 30.481 30.300 -0.126 0.000 1.020 262 R HN 0.596 nan 8.270 nan 0.000 0.475 263 A N 2.867 125.766 122.820 0.132 0.000 2.332 263 A HA 0.252 4.572 4.320 -0.000 0.000 0.258 263 A C -0.010 177.645 177.584 0.119 0.000 1.087 263 A CA -0.790 51.343 52.037 0.160 0.000 0.802 263 A CB 0.301 19.320 19.000 0.033 0.000 1.042 263 A HN 0.769 nan 8.150 nan 0.000 0.489 264 L N 1.443 122.729 121.223 0.104 0.000 2.540 264 L HA 0.441 4.781 4.340 -0.000 0.000 0.276 264 L C 1.143 178.054 176.870 0.068 0.000 1.212 264 L CA 2.033 56.920 54.840 0.080 0.000 0.893 264 L CB 0.117 42.197 42.059 0.034 0.000 1.138 264 L HN 1.620 nan 8.230 nan 0.000 0.491 265 G N 2.120 110.976 108.800 0.095 0.000 2.259 265 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.217 265 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.217 265 G C 0.510 175.440 174.900 0.050 0.000 1.001 265 G CA 0.102 45.261 45.100 0.098 0.000 0.627 265 G HN 0.853 nan 8.290 nan 0.000 0.501 266 S N 2.908 118.603 115.700 -0.008 0.000 2.584 266 S HA 0.497 4.966 4.470 -0.000 0.000 0.270 266 S C -1.806 172.664 174.600 -0.217 0.000 1.346 266 S CA -0.309 57.846 58.200 -0.075 0.000 1.018 266 S CB 1.082 64.243 63.200 -0.065 0.000 0.899 266 S HN 0.359 nan 8.310 nan 0.000 0.542 267 P HA 0.137 nan 4.420 nan 0.000 0.269 267 P C -0.162 176.976 177.300 -0.270 0.000 1.209 267 P CA -0.338 62.625 63.100 -0.227 0.000 0.776 267 P CB 0.195 31.837 31.700 -0.095 0.000 0.876 268 I N 2.321 122.733 120.570 -0.263 0.000 2.664 268 I HA -0.015 4.155 4.170 -0.000 0.000 0.284 268 I C 0.826 176.933 176.117 -0.016 0.000 1.154 268 I CA -0.292 60.965 61.300 -0.071 0.000 1.402 268 I CB 0.110 38.165 38.000 0.091 0.000 1.395 268 I HN 0.142 nan 8.210 nan 0.000 0.545 269 R N 6.957 127.455 120.500 -0.005 0.000 3.688 269 R HA 0.237 4.576 4.340 -0.000 0.000 0.194 269 R C 0.678 176.993 176.300 0.025 0.000 1.677 269 R CA 0.543 56.630 56.100 -0.021 0.000 1.351 269 R CB -0.874 29.379 30.300 -0.078 0.000 1.338 269 R HN 0.887 nan 8.270 nan 0.000 0.731 270 G N 0.978 109.796 108.800 0.029 0.000 2.372 270 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.297 270 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.297 270 G C 0.771 175.705 174.900 0.056 0.000 1.005 270 G CA 0.487 45.610 45.100 0.038 0.000 1.173 270 G HN 1.095 nan 8.290 nan 0.000 0.511 271 G N -0.965 107.881 108.800 0.076 0.000 2.391 271 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.204 271 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.204 271 G C 0.181 175.150 174.900 0.116 0.000 1.012 271 G CA 0.389 45.538 45.100 0.082 0.000 0.651 271 G HN 0.911 nan 8.290 nan 0.000 0.494 272 E N 1.702 121.999 120.200 0.162 0.000 2.070 272 E HA 0.556 4.906 4.350 -0.000 0.000 0.282 272 E C 0.474 177.276 176.600 0.336 0.000 1.104 272 E CA 0.303 56.864 56.400 0.268 0.000 0.876 272 E CB 1.036 30.999 29.700 0.437 0.000 1.055 272 E HN 0.611 nan 8.360 nan 0.000 0.401 273 A N 4.593 127.539 122.820 0.209 0.000 2.807 273 A HA 0.175 4.495 4.320 -0.000 0.000 0.307 273 A C -0.367 177.341 177.584 0.207 0.000 1.532 273 A CA -0.275 51.893 52.037 0.219 0.000 1.215 273 A CB -0.441 18.648 19.000 0.147 0.000 1.127 273 A HN 0.568 nan 8.150 nan 0.000 0.543 274 F N 0.434 120.446 119.950 0.104 0.000 2.639 274 F HA 0.144 4.671 4.527 -0.000 0.000 0.300 274 F C 1.794 177.627 175.800 0.057 0.000 1.109 274 F CA -0.462 57.625 58.000 0.144 0.000 1.335 274 F CB -0.416 38.658 39.000 0.124 0.000 1.014 274 F HN 0.646 nan 8.300 nan 0.000 0.537 275 H N 0.191 119.379 119.070 0.197 0.000 2.357 275 H HA -0.173 4.383 4.556 -0.000 0.000 0.296 275 H C 2.296 177.655 175.328 0.052 0.000 1.108 275 H CA 2.278 58.384 56.048 0.096 0.000 1.273 275 H CB -0.504 29.290 29.762 0.052 0.000 1.367 275 H HN 0.298 nan 8.280 nan 0.000 0.498 276 T N -2.001 112.634 114.554 0.135 0.000 3.072 276 T HA 0.229 4.579 4.350 -0.000 0.000 0.266 276 T C 1.217 175.900 174.700 -0.028 0.000 1.127 276 T CA 0.749 62.847 62.100 -0.003 0.000 1.107 276 T CB -0.107 68.689 68.868 -0.120 0.000 0.910 276 T HN 0.691 nan 8.240 nan 0.000 0.513 277 G N -0.207 108.635 108.800 0.069 0.000 2.725 277 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 277 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 277 G C 0.808 175.749 174.900 0.069 0.000 1.357 277 G CA -0.495 44.661 45.100 0.093 0.000 0.866 277 G HN 0.398 nan 8.290 nan 0.000 0.548 278 C N 0.289 119.586 119.300 -0.005 0.000 2.466 278 C HA 0.048 4.508 4.460 -0.000 0.000 0.278 278 C C 3.031 177.807 174.990 -0.356 0.000 1.288 278 C CA 1.237 60.180 59.018 -0.126 0.000 1.722 278 C CB -1.559 25.899 27.740 -0.469 0.000 2.017 278 C HN 0.539 nan 8.230 nan 0.000 0.488 279 I N 2.305 122.621 120.570 -0.422 0.000 2.087 279 I HA -0.177 3.993 4.170 -0.000 0.000 0.240 279 I C -0.291 175.713 176.117 -0.189 0.000 1.054 279 I CA 2.044 63.139 61.300 -0.343 0.000 1.311 279 I CB -2.808 35.042 38.000 -0.250 0.000 1.024 279 I HN 0.192 nan 8.210 nan 0.000 0.402 280 P HA -0.192 nan 4.420 nan 0.000 0.216 280 P C 1.854 178.951 177.300 -0.339 0.000 1.154 280 P CA 1.821 64.716 63.100 -0.342 0.000 0.865 280 P CB -0.237 31.149 31.700 -0.524 0.000 0.789 281 F N -2.284 117.583 119.950 -0.139 0.000 2.113 281 F HA -0.149 4.378 4.527 0.000 0.000 0.297 281 F C 2.530 178.191 175.800 -0.232 0.000 1.103 281 F CA 1.034 58.888 58.000 -0.243 0.000 1.248 281 F CB -1.806 37.040 39.000 -0.256 0.000 0.999 281 F HN -0.129 nan 8.300 nan 0.000 0.475 282 Y N 0.659 120.968 120.300 0.016 0.000 2.114 282 Y HA -0.266 4.283 4.550 -0.001 0.000 0.282 282 Y C 2.414 178.393 175.900 0.132 0.000 1.165 282 Y CA 1.057 59.257 58.100 0.167 0.000 1.148 282 Y CB -1.364 37.221 38.460 0.208 0.000 0.972 282 Y HN 0.020 nan 8.280 nan 0.000 0.504 283 K N -1.022 119.514 120.400 0.226 0.000 2.074 283 K HA -0.262 4.058 4.320 -0.000 0.000 0.209 283 K C 2.057 178.746 176.600 0.149 0.000 1.048 283 K CA 1.837 58.215 56.287 0.152 0.000 0.926 283 K CB -0.366 32.175 32.500 0.068 0.000 0.713 283 K HN 0.325 nan 8.250 nan 0.000 0.444 284 H N -0.832 118.237 119.070 -0.002 0.000 2.389 284 H HA -0.082 4.473 4.556 -0.001 0.000 0.299 284 H C 1.430 176.812 175.328 0.090 0.000 1.081 284 H CA 1.728 57.769 56.048 -0.013 0.000 1.345 284 H CB -0.032 29.681 29.762 -0.083 0.000 1.393 284 H HN 0.097 nan 8.280 nan 0.000 0.520 285 F N 0.656 120.664 119.950 0.096 0.000 2.146 285 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 285 F C 2.818 178.619 175.800 0.002 0.000 1.096 285 F CA 1.369 59.377 58.000 0.012 0.000 1.275 285 F CB -1.072 37.968 39.000 0.066 0.000 1.008 285 F HN 0.301 nan 8.300 nan 0.000 0.480 286 Q N 0.402 120.346 119.800 0.240 0.000 2.045 286 Q HA -0.237 4.103 4.340 -0.000 0.000 0.206 286 Q C 2.217 178.282 176.000 0.108 0.000 0.991 286 Q CA 2.968 58.868 55.803 0.162 0.000 0.851 286 Q CB -0.280 28.564 28.738 0.177 0.000 0.911 286 Q HN 0.517 nan 8.270 nan 0.000 0.418 287 T N -1.847 112.754 114.554 0.078 0.000 2.833 287 T HA -0.044 4.306 4.350 -0.000 0.000 0.269 287 T C 1.808 176.513 174.700 0.009 0.000 1.054 287 T CA 1.109 63.236 62.100 0.045 0.000 1.135 287 T CB -0.442 68.454 68.868 0.047 0.000 0.869 287 T HN 0.383 nan 8.240 nan 0.000 0.466 288 A N 1.382 124.186 122.820 -0.027 0.000 1.858 288 A HA 0.067 4.387 4.320 -0.000 0.000 0.216 288 A C 2.661 180.263 177.584 0.030 0.000 1.190 288 A CA 1.604 53.632 52.037 -0.016 0.000 0.617 288 A CB -1.188 17.813 19.000 0.001 0.000 0.827 288 A HN 0.401 nan 8.150 nan 0.000 0.443 289 V N -0.150 119.795 119.914 0.052 0.000 2.324 289 V HA -0.253 3.867 4.120 -0.000 0.000 0.250 289 V C 2.239 178.358 176.094 0.042 0.000 1.060 289 V CA 2.488 64.818 62.300 0.049 0.000 1.042 289 V CB -0.571 31.285 31.823 0.055 0.000 0.650 289 V HN 0.514 nan 8.190 nan 0.000 0.450 290 K N 0.354 120.779 120.400 0.042 0.000 2.417 290 K HA 0.057 4.377 4.320 -0.000 0.000 0.196 290 K C 1.959 178.574 176.600 0.025 0.000 1.023 290 K CA 0.587 56.892 56.287 0.031 0.000 1.122 290 K CB -0.073 32.448 32.500 0.034 0.000 0.850 290 K HN 0.659 nan 8.250 nan 0.000 0.521 291 S N -0.852 114.863 115.700 0.026 0.000 2.400 291 S HA -0.171 4.298 4.470 -0.000 0.000 0.232 291 S C 1.210 175.821 174.600 0.019 0.000 1.025 291 S CA 0.773 58.987 58.200 0.022 0.000 0.993 291 S CB -0.358 62.854 63.200 0.021 0.000 0.808 291 S HN 0.279 nan 8.310 nan 0.000 0.478 292 C N 3.132 122.443 119.300 0.019 0.000 2.534 292 C HA 0.687 5.147 4.460 -0.000 0.000 0.285 292 C C 0.286 175.285 174.990 0.014 0.000 1.505 292 C CA -1.063 57.964 59.018 0.015 0.000 1.715 292 C CB -1.539 26.210 27.740 0.015 0.000 2.935 292 C HN 0.541 nan 8.230 nan 0.000 0.540 293 S N -0.618 115.088 115.700 0.011 0.000 2.575 293 S HA 0.464 4.934 4.470 -0.000 0.000 0.278 293 S C 0.114 174.714 174.600 0.001 0.000 1.139 293 S CA -0.579 57.625 58.200 0.006 0.000 0.954 293 S CB 1.595 64.797 63.200 0.003 0.000 1.054 293 S HN 0.287 nan 8.310 nan 0.000 0.483 294 Q N 2.247 122.047 119.800 0.000 0.000 2.440 294 Q HA -0.295 4.045 4.340 -0.000 0.000 0.228 294 Q C 1.930 177.928 176.000 -0.002 0.000 1.100 294 Q CA 2.966 58.768 55.803 -0.001 0.000 0.991 294 Q CB -1.280 27.456 28.738 -0.003 0.000 1.027 294 Q HN 1.029 nan 8.270 nan 0.000 0.528 295 G N -3.897 104.898 108.800 -0.008 0.000 2.576 295 G HA2 0.388 4.348 3.960 -0.000 0.000 0.210 295 G HA3 0.388 4.348 3.960 -0.000 0.000 0.210 295 G C 0.770 175.670 174.900 -0.000 0.000 1.143 295 G CA 0.573 45.671 45.100 -0.005 0.000 0.819 295 G HN 0.835 nan 8.290 nan 0.000 0.534 296 G N -1.169 107.627 108.800 -0.007 0.000 2.789 296 G HA2 0.060 4.020 3.960 -0.000 0.000 0.218 296 G HA3 0.060 4.020 3.960 -0.000 0.000 0.218 296 G C 0.599 175.488 174.900 -0.018 0.000 0.980 296 G CA 0.691 45.793 45.100 0.003 0.000 0.848 296 G HN 1.168 nan 8.290 nan 0.000 0.591 297 V N -3.742 116.136 119.914 -0.060 0.000 3.180 297 V HA 0.511 4.631 4.120 -0.000 0.000 0.246 297 V C 0.830 176.839 176.094 -0.141 0.000 1.545 297 V CA 0.216 62.420 62.300 -0.160 0.000 1.138 297 V CB 0.163 31.840 31.823 -0.243 0.000 0.978 297 V HN 0.134 nan 8.190 nan 0.000 0.437 298 R N 2.064 122.519 120.500 -0.076 0.000 2.248 298 R HA 0.546 4.886 4.340 -0.000 0.000 0.337 298 R C 0.354 176.641 176.300 -0.022 0.000 1.106 298 R CA 1.087 57.158 56.100 -0.049 0.000 0.959 298 R CB 0.161 30.443 30.300 -0.030 0.000 1.075 298 R HN 0.917 nan 8.270 nan 0.000 0.480 299 G N 1.413 110.206 108.800 -0.013 0.000 2.619 299 G HA2 0.186 4.146 3.960 -0.000 0.000 0.686 299 G HA3 0.186 4.146 3.960 -0.000 0.000 0.686 299 G C -0.194 174.713 174.900 0.012 0.000 1.256 299 G CA -0.472 44.633 45.100 0.008 0.000 0.826 299 G HN 0.941 nan 8.290 nan 0.000 0.619 300 G N -1.205 107.610 108.800 0.025 0.000 3.316 300 G HA2 0.536 4.496 3.960 -0.000 0.000 0.445 300 G HA3 0.536 4.496 3.960 -0.000 0.000 0.445 300 G C 0.273 175.193 174.900 0.032 0.000 1.002 300 G CA 0.918 46.036 45.100 0.030 0.000 0.818 300 G HN 2.670 nan 8.290 nan 0.000 0.404 301 A N 1.437 124.280 122.820 0.037 0.000 2.384 301 A HA 1.216 5.536 4.320 -0.000 0.000 0.312 301 A C 0.304 177.901 177.584 0.022 0.000 1.113 301 A CA 0.095 52.156 52.037 0.039 0.000 0.779 301 A CB 2.013 21.050 19.000 0.061 0.000 1.307 301 A HN 2.698 nan 8.150 nan 0.000 0.436 302 A N 0.182 123.002 122.820 -0.001 0.000 2.604 302 A HA 0.803 5.123 4.320 -0.000 0.000 0.295 302 A C -0.653 176.868 177.584 -0.105 0.000 1.067 302 A CA -0.399 51.615 52.037 -0.038 0.000 0.683 302 A CB 1.246 20.218 19.000 -0.047 0.000 1.281 302 A HN 0.976 nan 8.150 nan 0.000 0.407 303 T N 1.652 116.131 114.554 -0.124 0.000 2.812 303 T HA 0.591 4.941 4.350 -0.000 0.000 0.282 303 T C -0.863 173.591 174.700 -0.410 0.000 0.990 303 T CA -0.212 61.715 62.100 -0.289 0.000 0.960 303 T CB 1.066 69.818 68.868 -0.195 0.000 0.948 303 T HN 0.655 nan 8.240 nan 0.000 0.438 304 L N 3.807 124.705 121.223 -0.541 0.000 2.322 304 L HA 0.719 5.059 4.340 -0.000 0.000 0.281 304 L C -1.498 175.149 176.870 -0.371 0.000 1.014 304 L CA -0.861 53.794 54.840 -0.309 0.000 0.815 304 L CB 0.740 42.686 42.059 -0.189 0.000 1.247 304 L HN 0.545 nan 8.230 nan 0.000 0.421 305 F N 4.335 124.305 119.950 0.034 0.000 2.425 305 F HA 0.599 5.127 4.527 0.001 0.000 0.331 305 F C -0.484 175.379 175.800 0.106 0.000 1.085 305 F CA -0.355 57.645 58.000 -0.000 0.000 1.028 305 F CB 1.457 40.477 39.000 0.033 0.000 1.177 305 F HN 0.366 nan 8.300 nan 0.000 0.487 306 Y N 0.399 120.869 120.300 0.284 0.000 2.581 306 Y HA 0.656 5.206 4.550 -0.001 0.000 0.337 306 Y C -3.368 172.587 175.900 0.090 0.000 1.108 306 Y CA -3.778 54.434 58.100 0.187 0.000 1.033 306 Y CB 0.578 39.087 38.460 0.082 0.000 1.318 306 Y HN 0.214 nan 8.280 nan 0.000 0.459 307 P HA 0.110 nan 4.420 nan 0.000 0.275 307 P C 0.626 177.797 177.300 -0.216 0.000 1.228 307 P CA -0.307 62.614 63.100 -0.297 0.000 0.786 307 P CB 1.249 32.139 31.700 -1.351 0.000 0.927 308 M N 2.754 122.240 119.600 -0.190 0.000 2.213 308 M HA -0.092 4.388 4.480 -0.000 0.000 0.263 308 M C 1.255 177.562 176.300 0.012 0.000 1.062 308 M CA 1.832 57.100 55.300 -0.053 0.000 1.105 308 M CB -0.305 32.245 32.600 -0.083 0.000 1.385 308 M HN 0.471 nan 8.290 nan 0.000 0.417 309 W N -0.702 120.619 121.300 0.036 0.000 3.180 309 W HA 0.073 4.733 4.660 0.000 0.000 0.254 309 W C 0.389 176.992 176.519 0.140 0.000 1.318 309 W CA -0.385 57.018 57.345 0.097 0.000 1.608 309 W CB -1.543 28.017 29.460 0.166 0.000 1.124 309 W HN 0.133 nan 8.180 nan 0.000 0.694 310 H N 2.442 121.460 119.070 -0.086 0.000 3.092 310 H HA -0.139 4.417 4.556 -0.000 0.000 0.332 310 H C 1.162 176.552 175.328 0.103 0.000 1.029 310 H CA 0.932 56.980 56.048 0.000 0.000 1.376 310 H CB 1.439 31.138 29.762 -0.105 0.000 1.329 310 H HN 0.067 nan 8.280 nan 0.000 0.598 311 L N 4.570 125.719 121.223 -0.124 0.000 2.127 311 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 311 L C 1.594 178.519 176.870 0.091 0.000 1.089 311 L CA 1.878 56.712 54.840 -0.011 0.000 0.757 311 L CB -0.343 41.667 42.059 -0.081 0.000 0.899 311 L HN 0.715 nan 8.230 nan 0.000 0.434 312 E N -1.523 118.856 120.200 0.298 0.000 2.437 312 E HA -0.026 4.324 4.350 -0.000 0.000 0.189 312 E C 2.003 178.573 176.600 -0.050 0.000 1.054 312 E CA 0.141 56.594 56.400 0.088 0.000 0.874 312 E CB 0.154 29.867 29.700 0.022 0.000 1.011 312 E HN 0.347 nan 8.360 nan 0.000 0.474 313 V N 1.839 121.751 119.914 -0.003 0.000 2.277 313 V HA -0.369 3.751 4.120 -0.000 0.000 0.253 313 V C 1.835 177.867 176.094 -0.103 0.000 1.067 313 V CA 2.228 64.472 62.300 -0.094 0.000 1.047 313 V CB -0.089 31.751 31.823 0.027 0.000 0.649 313 V HN 0.336 nan 8.190 nan 0.000 0.447 314 E N -0.535 119.629 120.200 -0.059 0.000 2.265 314 E HA -0.139 4.211 4.350 -0.000 0.000 0.196 314 E C 2.250 178.798 176.600 -0.087 0.000 0.996 314 E CA 1.318 57.684 56.400 -0.057 0.000 0.832 314 E CB -0.134 29.545 29.700 -0.035 0.000 0.756 314 E HN 0.642 nan 8.360 nan 0.000 0.491 315 S N 0.571 116.196 115.700 -0.124 0.000 2.439 315 S HA 0.055 4.525 4.470 -0.000 0.000 0.224 315 S C 1.987 176.461 174.600 -0.210 0.000 1.029 315 S CA 0.244 58.357 58.200 -0.145 0.000 0.946 315 S CB 0.111 63.223 63.200 -0.148 0.000 0.797 315 S HN 0.158 nan 8.310 nan 0.000 0.504 316 L N 0.839 121.878 121.223 -0.308 0.000 2.044 316 L HA 0.001 4.341 4.340 -0.000 0.000 0.205 316 L C 1.975 178.667 176.870 -0.296 0.000 1.075 316 L CA 0.565 55.136 54.840 -0.449 0.000 0.747 316 L CB -0.615 40.922 42.059 -0.870 0.000 0.903 316 L HN 0.247 nan 8.230 nan 0.000 0.435 317 L N 0.223 121.360 121.223 -0.143 0.000 2.263 317 L HA -0.139 4.200 4.340 -0.000 0.000 0.216 317 L C 1.996 178.841 176.870 -0.042 0.000 1.111 317 L CA 1.541 56.370 54.840 -0.017 0.000 0.773 317 L CB -0.727 41.335 42.059 0.004 0.000 0.906 317 L HN 0.282 nan 8.230 nan 0.000 0.439 318 V N -5.322 114.547 119.914 -0.076 0.000 3.271 318 V HA 0.164 4.284 4.120 -0.000 0.000 0.327 318 V C 1.720 177.778 176.094 -0.060 0.000 1.389 318 V CA -0.011 62.259 62.300 -0.050 0.000 1.156 318 V CB -0.420 31.377 31.823 -0.043 0.000 1.103 318 V HN 0.196 nan 8.190 nan 0.000 0.453 319 L N 0.749 121.907 121.223 -0.108 0.000 2.265 319 L HA -0.030 4.309 4.340 -0.000 0.000 0.215 319 L C 2.438 179.323 176.870 0.026 0.000 1.117 319 L CA 1.720 56.514 54.840 -0.076 0.000 0.782 319 L CB -0.326 41.629 42.059 -0.172 0.000 0.914 319 L HN 0.485 nan 8.230 nan 0.000 0.441 320 K N -0.773 119.667 120.400 0.067 0.000 2.358 320 K HA 0.076 4.396 4.320 -0.000 0.000 0.197 320 K C 0.392 177.005 176.600 0.022 0.000 1.025 320 K CA -0.223 56.104 56.287 0.067 0.000 1.104 320 K CB -0.343 32.222 32.500 0.108 0.000 0.855 320 K HN 0.065 nan 8.250 nan 0.000 0.531 321 N N 3.486 122.191 118.700 0.009 0.000 2.427 321 N HA -0.083 4.657 4.740 -0.000 0.000 0.269 321 N C 0.826 176.332 175.510 -0.007 0.000 1.235 321 N CA -0.055 52.996 53.050 0.001 0.000 0.934 321 N CB 0.564 39.048 38.487 -0.005 0.000 1.121 321 N HN 0.167 nan 8.380 nan 0.000 0.480 322 N N 4.090 122.787 118.700 -0.005 0.000 2.149 322 N HA -0.221 4.519 4.740 -0.000 0.000 0.188 322 N C 0.218 175.723 175.510 -0.009 0.000 1.019 322 N CA 1.149 54.194 53.050 -0.008 0.000 0.857 322 N CB -0.316 38.171 38.487 0.001 0.000 0.997 322 N HN 0.505 nan 8.380 nan 0.000 0.426 323 R N 1.112 121.608 120.500 -0.007 0.000 2.459 323 R HA 0.332 4.672 4.340 -0.000 0.000 0.301 323 R C -0.312 175.981 176.300 -0.013 0.000 1.286 323 R CA 0.352 56.447 56.100 -0.008 0.000 1.046 323 R CB -0.653 29.643 30.300 -0.007 0.000 1.071 323 R HN 0.493 nan 8.270 nan 0.000 0.512 324 G N 0.653 109.443 108.800 -0.015 0.000 2.506 324 G HA2 0.089 4.049 3.960 -0.000 0.000 0.292 324 G HA3 0.089 4.049 3.960 -0.000 0.000 0.292 324 G C -1.399 173.488 174.900 -0.021 0.000 1.425 324 G CA -0.737 44.350 45.100 -0.020 0.000 0.788 324 G HN 0.299 nan 8.290 nan 0.000 0.490 325 V N 0.866 120.765 119.914 -0.025 0.000 2.599 325 V HA 0.213 4.333 4.120 -0.000 0.000 0.300 325 V C 1.555 177.633 176.094 -0.027 0.000 1.034 325 V CA 0.502 62.788 62.300 -0.025 0.000 1.115 325 V CB 1.229 33.035 31.823 -0.028 0.000 0.934 325 V HN 0.802 nan 8.190 nan 0.000 0.485 326 E N 4.695 124.882 120.200 -0.022 0.000 2.187 326 E HA -0.167 4.183 4.350 -0.000 0.000 0.199 326 E C 1.922 178.507 176.600 -0.024 0.000 1.004 326 E CA 1.748 58.136 56.400 -0.020 0.000 0.813 326 E CB -0.425 29.268 29.700 -0.012 0.000 0.736 326 E HN 0.978 nan 8.360 nan 0.000 0.468 327 G N -0.032 108.749 108.800 -0.031 0.000 2.572 327 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.216 327 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.216 327 G C 1.108 175.977 174.900 -0.052 0.000 1.133 327 G CA 0.001 45.077 45.100 -0.041 0.000 0.791 327 G HN 0.239 nan 8.290 nan 0.000 0.538 328 N N 0.288 118.957 118.700 -0.051 0.000 2.380 328 N HA 0.206 4.946 4.740 -0.000 0.000 0.255 328 N C -0.560 174.915 175.510 -0.058 0.000 1.158 328 N CA -0.289 52.722 53.050 -0.064 0.000 0.878 328 N CB 0.476 38.925 38.487 -0.063 0.000 1.138 328 N HN -0.070 nan 8.380 nan 0.000 0.509 329 R N 0.687 121.163 120.500 -0.041 0.000 2.564 329 R HA 0.350 4.689 4.340 -0.000 0.000 0.284 329 R C -1.275 175.026 176.300 0.001 0.000 1.031 329 R CA -0.578 55.506 56.100 -0.027 0.000 0.904 329 R CB 1.944 32.225 30.300 -0.033 0.000 1.199 329 R HN -0.185 nan 8.270 nan 0.000 0.443 330 V N 4.761 124.705 119.914 0.049 0.000 2.315 330 V HA 0.308 4.428 4.120 -0.000 0.000 0.265 330 V C 1.257 177.420 176.094 0.115 0.000 1.019 330 V CA -0.411 61.960 62.300 0.119 0.000 0.824 330 V CB 1.009 32.991 31.823 0.264 0.000 1.072 330 V HN 0.622 nan 8.190 nan 0.000 0.448 331 R N 0.422 120.878 120.500 -0.073 0.000 2.153 331 R HA 0.045 4.385 4.340 -0.000 0.000 0.218 331 R C 0.648 176.850 176.300 -0.164 0.000 1.072 331 R CA 0.747 56.750 56.100 -0.162 0.000 0.990 331 R CB 0.107 30.201 30.300 -0.344 0.000 0.889 331 R HN 0.651 nan 8.270 nan 0.000 0.452 332 H N -0.102 119.016 119.070 0.080 0.000 2.638 332 H HA 0.343 4.899 4.556 -0.001 0.000 0.293 332 H C -0.179 175.150 175.328 0.002 0.000 1.316 332 H CA 0.266 56.339 56.048 0.043 0.000 1.099 332 H CB -0.147 29.641 29.762 0.045 0.000 1.515 332 H HN 0.060 nan 8.280 nan 0.000 0.505 333 M N 0.835 120.442 119.600 0.010 0.000 2.322 333 M HA 0.155 4.635 4.480 -0.000 0.000 0.285 333 M C -1.152 174.840 176.300 -0.514 0.000 1.119 333 M CA -0.723 54.455 55.300 -0.203 0.000 0.953 333 M CB 2.968 35.421 32.600 -0.245 0.000 1.701 333 M HN -0.010 nan 8.290 nan 0.000 0.479 334 D N 1.544 121.664 120.400 -0.466 0.000 2.283 334 D HA 0.457 5.097 4.640 -0.000 0.000 0.248 334 D C -1.181 174.560 176.300 -0.932 0.000 1.072 334 D CA 0.431 54.109 54.000 -0.537 0.000 0.929 334 D CB 0.913 41.579 40.800 -0.224 0.000 1.182 334 D HN 0.267 nan 8.370 nan 0.000 0.433 335 Y N -0.883 119.213 120.300 -0.340 0.000 2.549 335 Y HA 0.565 5.115 4.550 -0.001 0.000 0.339 335 Y C 0.951 176.565 175.900 -0.476 0.000 1.053 335 Y CA -1.041 56.855 58.100 -0.339 0.000 1.105 335 Y CB 2.102 40.506 38.460 -0.094 0.000 1.258 335 Y HN 0.343 nan 8.280 nan 0.000 0.478 336 G N 0.977 109.502 108.800 -0.459 0.000 2.814 336 G HA2 0.498 4.458 3.960 -0.000 0.000 0.300 336 G HA3 0.498 4.458 3.960 -0.000 0.000 0.300 336 G C -1.575 173.164 174.900 -0.268 0.000 1.406 336 G CA -0.557 44.370 45.100 -0.288 0.000 1.041 336 G HN 0.447 nan 8.290 nan 0.000 0.532 337 V N 2.606 122.390 119.914 -0.216 0.000 2.521 337 V HA 0.140 4.260 4.120 -0.000 0.000 0.286 337 V C 0.347 176.423 176.094 -0.030 0.000 1.034 337 V CA -0.044 62.106 62.300 -0.251 0.000 1.045 337 V CB 0.877 32.632 31.823 -0.114 0.000 0.974 337 V HN 0.714 nan 8.190 nan 0.000 0.480 338 Q N 4.893 124.698 119.800 0.009 0.000 2.303 338 Q HA 0.663 5.003 4.340 -0.000 0.000 0.257 338 Q C -0.813 175.249 176.000 0.104 0.000 0.941 338 Q CA -0.128 55.739 55.803 0.107 0.000 0.931 338 Q CB 1.820 30.691 28.738 0.222 0.000 1.215 338 Q HN 0.655 nan 8.270 nan 0.000 0.437 339 I N 1.988 122.563 120.570 0.008 0.000 2.892 339 I HA 0.477 4.646 4.170 -0.000 0.000 0.306 339 I C -0.388 175.613 176.117 -0.195 0.000 1.078 339 I CA -1.039 60.213 61.300 -0.079 0.000 1.032 339 I CB 2.005 39.858 38.000 -0.245 0.000 1.229 339 I HN 0.677 nan 8.210 nan 0.000 0.435 340 N N 1.845 120.401 118.700 -0.239 0.000 2.831 340 N HA 0.340 5.080 4.740 -0.000 0.000 0.276 340 N C 0.123 175.538 175.510 -0.160 0.000 1.416 340 N CA -0.864 52.037 53.050 -0.249 0.000 0.799 340 N CB 0.796 39.000 38.487 -0.471 0.000 1.554 340 N HN 0.263 nan 8.380 nan 0.000 0.541 341 K N -0.435 119.919 120.400 -0.077 0.000 2.034 341 K HA -0.120 4.200 4.320 -0.000 0.000 0.214 341 K C 1.618 178.212 176.600 -0.010 0.000 1.051 341 K CA 1.309 57.573 56.287 -0.037 0.000 0.931 341 K CB -0.621 31.919 32.500 0.066 0.000 0.715 341 K HN 0.536 nan 8.250 nan 0.000 0.446 342 L N 1.420 122.644 121.223 0.002 0.000 2.012 342 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 342 L C 2.366 179.258 176.870 0.036 0.000 1.073 342 L CA 1.674 56.542 54.840 0.046 0.000 0.748 342 L CB -0.454 41.669 42.059 0.106 0.000 0.891 342 L HN 0.193 nan 8.230 nan 0.000 0.431 343 M N -1.776 117.824 119.600 -0.001 0.000 2.082 343 M HA -0.275 4.205 4.480 -0.000 0.000 0.258 343 M C 2.429 178.781 176.300 0.087 0.000 1.069 343 M CA 1.919 57.251 55.300 0.054 0.000 1.102 343 M CB -1.463 31.126 32.600 -0.018 0.000 1.336 343 M HN 0.241 nan 8.290 nan 0.000 0.404 344 Y N 0.969 121.290 120.300 0.035 0.000 2.145 344 Y HA -0.162 4.387 4.550 -0.000 0.000 0.286 344 Y C 2.837 178.639 175.900 -0.164 0.000 1.145 344 Y CA 1.793 59.795 58.100 -0.163 0.000 1.148 344 Y CB -1.537 36.718 38.460 -0.341 0.000 0.981 344 Y HN 0.296 nan 8.280 nan 0.000 0.507 345 T N 0.334 114.927 114.554 0.065 0.000 2.720 345 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 345 T C 2.024 176.746 174.700 0.036 0.000 1.037 345 T CA 1.352 63.472 62.100 0.034 0.000 1.144 345 T CB -0.155 68.739 68.868 0.043 0.000 0.864 345 T HN 0.202 nan 8.240 nan 0.000 0.444 346 R N 0.708 121.249 120.500 0.068 0.000 2.103 346 R HA -0.051 4.288 4.340 -0.000 0.000 0.242 346 R C 2.399 178.729 176.300 0.050 0.000 1.142 346 R CA 0.959 57.110 56.100 0.086 0.000 0.960 346 R CB -1.282 29.105 30.300 0.145 0.000 0.858 346 R HN 0.349 nan 8.270 nan 0.000 0.439 347 L N 1.221 122.435 121.223 -0.015 0.000 1.970 347 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 347 L C 2.254 179.070 176.870 -0.089 0.000 1.071 347 L CA 1.676 56.433 54.840 -0.139 0.000 0.751 347 L CB -0.712 40.999 42.059 -0.579 0.000 0.889 347 L HN 0.084 nan 8.230 nan 0.000 0.432 348 L N -0.583 120.591 121.223 -0.081 0.000 2.042 348 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 348 L C 2.316 179.175 176.870 -0.018 0.000 1.076 348 L CA 1.511 56.321 54.840 -0.050 0.000 0.749 348 L CB -0.612 41.422 42.059 -0.040 0.000 0.893 348 L HN 0.258 nan 8.230 nan 0.000 0.432 349 K N 0.012 120.412 120.400 -0.001 0.000 2.487 349 K HA 0.099 4.419 4.320 -0.000 0.000 0.192 349 K C 1.110 177.720 176.600 0.016 0.000 1.027 349 K CA 0.530 56.824 56.287 0.011 0.000 1.054 349 K CB 0.173 32.686 32.500 0.022 0.000 0.824 349 K HN 0.409 nan 8.250 nan 0.000 0.510 350 G N 2.277 111.086 108.800 0.015 0.000 2.203 350 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.263 350 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.263 350 G C -0.173 174.749 174.900 0.037 0.000 1.012 350 G CA 0.577 45.691 45.100 0.024 0.000 0.749 350 G HN 0.437 nan 8.290 nan 0.000 0.512 351 E N -0.347 119.881 120.200 0.047 0.000 2.790 351 E HA 0.496 4.846 4.350 -0.000 0.000 0.256 351 E C -0.458 176.186 176.600 0.074 0.000 1.246 351 E CA -0.901 55.532 56.400 0.056 0.000 1.041 351 E CB 0.558 30.294 29.700 0.061 0.000 1.272 351 E HN 0.161 nan 8.360 nan 0.000 0.603 352 D N 0.072 120.517 120.400 0.075 0.000 2.294 352 D HA 0.378 5.018 4.640 -0.000 0.000 0.250 352 D C -0.563 175.811 176.300 0.124 0.000 1.058 352 D CA -0.241 53.807 54.000 0.080 0.000 0.950 352 D CB 0.914 41.739 40.800 0.043 0.000 1.158 352 D HN 0.195 nan 8.370 nan 0.000 0.453 353 I N 1.017 121.666 120.570 0.130 0.000 2.404 353 I HA 0.178 4.347 4.170 -0.000 0.000 0.293 353 I C -0.053 176.139 176.117 0.126 0.000 0.992 353 I CA -0.465 60.952 61.300 0.195 0.000 1.149 353 I CB 1.863 39.987 38.000 0.207 0.000 1.315 353 I HN 0.043 nan 8.210 nan 0.000 0.446 354 T N 7.236 121.878 114.554 0.146 0.000 2.744 354 T HA 0.485 4.835 4.350 -0.000 0.000 0.291 354 T C 0.077 174.660 174.700 -0.194 0.000 0.957 354 T CA -0.409 61.579 62.100 -0.187 0.000 1.002 354 T CB 0.631 69.168 68.868 -0.552 0.000 0.919 354 T HN 0.263 nan 8.240 nan 0.000 0.468 355 L N 3.704 124.778 121.223 -0.249 0.000 2.375 355 L HA 0.645 4.985 4.340 -0.000 0.000 0.271 355 L C -0.740 175.938 176.870 -0.319 0.000 1.107 355 L CA -0.573 54.214 54.840 -0.089 0.000 0.806 355 L CB 0.530 42.577 42.059 -0.020 0.000 1.146 355 L HN 0.531 nan 8.230 nan 0.000 0.447 356 F N -0.142 119.920 119.950 0.187 0.000 2.608 356 F HA 0.228 4.755 4.527 0.000 0.000 0.309 356 F C 0.175 176.016 175.800 0.069 0.000 1.103 356 F CA -0.671 57.376 58.000 0.077 0.000 0.954 356 F CB 2.109 41.115 39.000 0.010 0.000 1.267 356 F HN 0.303 nan 8.300 nan 0.000 0.444 357 S N 4.133 119.923 115.700 0.150 0.000 2.505 357 S HA 0.286 4.756 4.470 -0.000 0.000 0.276 357 S C -1.634 173.032 174.600 0.109 0.000 1.274 357 S CA -1.246 56.936 58.200 -0.030 0.000 1.053 357 S CB 0.986 64.152 63.200 -0.057 0.000 0.919 357 S HN 0.365 nan 8.310 nan 0.000 0.490 358 P HA -0.203 nan 4.420 nan 0.000 0.218 358 P C 1.777 179.121 177.300 0.073 0.000 1.154 358 P CA 1.901 65.166 63.100 0.275 0.000 0.872 358 P CB -0.328 31.539 31.700 0.278 0.000 0.790 359 S N -0.573 115.121 115.700 -0.010 0.000 2.387 359 S HA -0.207 4.263 4.470 -0.000 0.000 0.230 359 S C 1.472 176.014 174.600 -0.098 0.000 1.035 359 S CA 1.758 59.912 58.200 -0.076 0.000 1.014 359 S CB -1.264 61.865 63.200 -0.119 0.000 0.836 359 S HN 0.145 nan 8.310 nan 0.000 0.466 360 D N 1.247 121.583 120.400 -0.107 0.000 2.340 360 D HA 0.124 4.764 4.640 -0.000 0.000 0.220 360 D C 0.458 176.540 176.300 -0.363 0.000 1.039 360 D CA 0.478 54.372 54.000 -0.176 0.000 0.866 360 D CB 0.520 41.249 40.800 -0.117 0.000 0.913 360 D HN 0.564 nan 8.370 nan 0.000 0.523 361 V N -0.856 118.807 119.914 -0.418 0.000 2.315 361 V HA 0.367 4.487 4.120 -0.000 0.000 0.265 361 V C -2.863 172.995 176.094 -0.394 0.000 1.019 361 V CA -2.333 59.472 62.300 -0.825 0.000 0.824 361 V CB 0.924 32.169 31.823 -0.964 0.000 1.072 361 V HN -0.277 nan 8.190 nan 0.000 0.448 362 P HA 0.167 nan 4.420 nan 0.000 0.260 362 P C 1.338 178.710 177.300 0.119 0.000 1.172 362 P CA 2.028 65.110 63.100 -0.030 0.000 0.760 362 P CB 0.657 32.352 31.700 -0.010 0.000 0.773 363 G N 2.813 111.691 108.800 0.130 0.000 2.245 363 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.264 363 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.264 363 G C 0.877 175.912 174.900 0.226 0.000 0.985 363 G CA 0.257 45.459 45.100 0.171 0.000 0.625 363 G HN 0.535 nan 8.290 nan 0.000 0.536 364 L N -0.847 120.510 121.223 0.223 0.000 2.017 364 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 364 L C 2.416 179.555 176.870 0.448 0.000 1.073 364 L CA 2.764 57.719 54.840 0.192 0.000 0.745 364 L CB -0.554 41.472 42.059 -0.054 0.000 0.894 364 L HN 0.475 nan 8.230 nan 0.000 0.432 365 Y N 1.192 121.763 120.300 0.452 0.000 2.070 365 Y HA -0.344 4.205 4.550 -0.001 0.000 0.280 365 Y C 2.381 178.688 175.900 0.679 0.000 1.148 365 Y CA 2.176 60.690 58.100 0.690 0.000 1.125 365 Y CB -0.275 38.534 38.460 0.581 0.000 0.975 365 Y HN 0.289 nan 8.280 nan 0.000 0.492 366 D N 0.068 120.871 120.400 0.672 0.000 2.133 366 D HA -0.269 4.371 4.640 -0.000 0.000 0.192 366 D C 2.274 178.830 176.300 0.426 0.000 1.001 366 D CA 1.773 56.078 54.000 0.509 0.000 0.844 366 D CB -0.778 40.225 40.800 0.337 0.000 0.944 366 D HN 0.500 nan 8.370 nan 0.000 0.447 367 A N 0.332 123.381 122.820 0.383 0.000 1.908 367 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 367 A C 2.118 179.901 177.584 0.331 0.000 1.181 367 A CA 1.202 53.437 52.037 0.330 0.000 0.627 367 A CB -1.095 18.094 19.000 0.314 0.000 0.818 367 A HN 0.254 nan 8.150 nan 0.000 0.445 368 F N -0.124 119.935 119.950 0.182 0.000 2.147 368 F HA -0.239 4.288 4.527 -0.000 0.000 0.301 368 F C 1.646 177.107 175.800 -0.564 0.000 1.084 368 F CA 1.787 59.563 58.000 -0.373 0.000 1.268 368 F CB -0.405 38.369 39.000 -0.378 0.000 1.009 368 F HN 0.248 nan 8.300 nan 0.000 0.486 369 F N -1.034 118.847 119.950 -0.115 0.000 2.383 369 F HA 0.266 4.792 4.527 -0.001 0.000 0.287 369 F C 2.382 178.125 175.800 -0.095 0.000 1.069 369 F CA 0.776 58.652 58.000 -0.207 0.000 1.402 369 F CB -1.210 37.707 39.000 -0.139 0.000 1.116 369 F HN -0.078 nan 8.300 nan 0.000 0.549 370 A N -1.678 121.252 122.820 0.183 0.000 2.030 370 A HA 0.056 4.376 4.320 -0.000 0.000 0.215 370 A C -0.003 177.631 177.584 0.083 0.000 1.164 370 A CA 0.977 53.086 52.037 0.120 0.000 0.697 370 A CB -0.077 19.001 19.000 0.131 0.000 0.827 370 A HN 0.215 nan 8.150 nan 0.000 0.457 371 D N -1.357 119.099 120.400 0.094 0.000 2.616 371 D HA 0.261 4.900 4.640 -0.000 0.000 0.238 371 D C 0.345 176.707 176.300 0.104 0.000 1.354 371 D CA -0.358 53.692 54.000 0.083 0.000 0.970 371 D CB 1.094 41.948 40.800 0.089 0.000 1.369 371 D HN -0.045 nan 8.370 nan 0.000 0.585 372 Q N 1.900 121.744 119.800 0.072 0.000 2.172 372 Q HA -0.053 4.287 4.340 -0.000 0.000 0.200 372 Q C 1.210 177.292 176.000 0.137 0.000 0.964 372 Q CA 0.863 56.724 55.803 0.097 0.000 0.855 372 Q CB 0.350 29.114 28.738 0.043 0.000 0.918 372 Q HN 0.632 nan 8.270 nan 0.000 0.444 373 E N 1.003 121.256 120.200 0.088 0.000 2.038 373 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 373 E C 1.916 178.555 176.600 0.064 0.000 1.000 373 E CA 1.322 57.761 56.400 0.065 0.000 0.803 373 E CB -0.024 29.701 29.700 0.041 0.000 0.750 373 E HN 0.327 nan 8.360 nan 0.000 0.448 374 E N 0.666 120.910 120.200 0.074 0.000 2.051 374 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 374 E C 1.909 178.542 176.600 0.055 0.000 0.991 374 E CA 0.878 57.309 56.400 0.051 0.000 0.799 374 E CB -0.539 29.201 29.700 0.067 0.000 0.748 374 E HN 0.204 nan 8.360 nan 0.000 0.449 375 F N 1.408 121.364 119.950 0.010 0.000 2.091 375 F HA -0.241 4.286 4.527 -0.000 0.000 0.299 375 F C 2.263 178.060 175.800 -0.005 0.000 1.103 375 F CA 2.381 60.389 58.000 0.012 0.000 1.228 375 F CB -0.416 38.609 39.000 0.043 0.000 0.984 375 F HN 0.152 nan 8.300 nan 0.000 0.477 376 E N 0.050 120.303 120.200 0.088 0.000 2.038 376 E HA -0.296 4.053 4.350 -0.000 0.000 0.195 376 E C 2.528 179.066 176.600 -0.103 0.000 1.000 376 E CA 1.702 58.105 56.400 0.006 0.000 0.803 376 E CB -0.330 29.414 29.700 0.072 0.000 0.750 376 E HN 0.384 nan 8.360 nan 0.000 0.448 377 R N 0.028 120.465 120.500 -0.105 0.000 2.080 377 R HA -0.176 4.164 4.340 -0.000 0.000 0.236 377 R C 2.467 178.584 176.300 -0.305 0.000 1.137 377 R CA 1.757 57.764 56.100 -0.156 0.000 0.943 377 R CB -0.340 29.890 30.300 -0.116 0.000 0.846 377 R HN 0.229 nan 8.270 nan 0.000 0.431 378 L N -0.723 120.266 121.223 -0.391 0.000 2.056 378 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 378 L C 2.394 178.778 176.870 -0.811 0.000 1.078 378 L CA 1.206 55.605 54.840 -0.737 0.000 0.749 378 L CB -0.663 41.063 42.059 -0.554 0.000 0.901 378 L HN 0.227 nan 8.230 nan 0.000 0.433 379 Y N 1.291 121.142 120.300 -0.747 0.000 2.097 379 Y HA -0.326 4.224 4.550 -0.001 0.000 0.282 379 Y C 2.914 178.620 175.900 -0.322 0.000 1.152 379 Y CA 2.225 59.953 58.100 -0.619 0.000 1.136 379 Y CB -0.578 37.420 38.460 -0.771 0.000 0.975 379 Y HN 0.296 nan 8.280 nan 0.000 0.498 380 T N -1.419 113.025 114.554 -0.183 0.000 2.737 380 T HA -0.204 4.146 4.350 -0.000 0.000 0.265 380 T C 1.888 176.468 174.700 -0.200 0.000 1.038 380 T CA 1.456 63.470 62.100 -0.143 0.000 1.144 380 T CB -0.524 68.302 68.868 -0.071 0.000 0.866 380 T HN 0.261 nan 8.240 nan 0.000 0.434 381 K N 0.558 120.780 120.400 -0.297 0.000 2.015 381 K HA -0.243 4.077 4.320 -0.000 0.000 0.220 381 K C 2.094 178.566 176.600 -0.213 0.000 1.055 381 K CA 1.946 58.045 56.287 -0.312 0.000 0.951 381 K CB -0.601 31.602 32.500 -0.496 0.000 0.725 381 K HN 0.353 nan 8.250 nan 0.000 0.449 382 Y N 1.323 121.472 120.300 -0.252 0.000 2.333 382 Y HA -0.108 4.441 4.550 -0.000 0.000 0.290 382 Y C 2.104 177.967 175.900 -0.061 0.000 1.144 382 Y CA 1.103 59.035 58.100 -0.281 0.000 1.228 382 Y CB -0.512 37.523 38.460 -0.708 0.000 0.985 382 Y HN 0.333 nan 8.280 nan 0.000 0.542 383 E N 0.027 120.257 120.200 0.050 0.000 2.072 383 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 383 E C 1.987 178.596 176.600 0.016 0.000 0.985 383 E CA 1.223 57.643 56.400 0.035 0.000 0.801 383 E CB 0.009 29.635 29.700 -0.123 0.000 0.750 383 E HN 0.250 nan 8.360 nan 0.000 0.452 384 K N 1.104 121.499 120.400 -0.009 0.000 2.025 384 K HA -0.081 4.239 4.320 -0.000 0.000 0.207 384 K C 0.593 177.199 176.600 0.011 0.000 1.049 384 K CA 0.608 56.890 56.287 -0.009 0.000 0.933 384 K CB -0.242 32.243 32.500 -0.026 0.000 0.714 384 K HN -0.004 nan 8.250 nan 0.000 0.438 385 D N 1.443 121.862 120.400 0.031 0.000 2.479 385 D HA -0.084 4.556 4.640 -0.000 0.000 0.257 385 D C -0.514 175.806 176.300 0.033 0.000 1.230 385 D CA 0.239 54.261 54.000 0.036 0.000 0.912 385 D CB 0.492 41.333 40.800 0.068 0.000 1.130 385 D HN 0.174 nan 8.370 nan 0.000 0.515 386 D N 1.232 121.641 120.400 0.014 0.000 2.349 386 D HA -0.049 4.591 4.640 -0.000 0.000 0.224 386 D C 1.605 177.908 176.300 0.005 0.000 1.029 386 D CA 0.110 54.115 54.000 0.008 0.000 0.879 386 D CB 0.239 41.038 40.800 -0.001 0.000 0.906 386 D HN 0.184 nan 8.370 nan 0.000 0.528 387 S N 0.428 116.129 115.700 0.002 0.000 2.406 387 S HA 0.006 4.476 4.470 -0.000 0.000 0.228 387 S C 1.036 175.629 174.600 -0.012 0.000 1.020 387 S CA 0.257 58.452 58.200 -0.008 0.000 0.965 387 S CB -0.089 63.100 63.200 -0.017 0.000 0.798 387 S HN 0.289 nan 8.310 nan 0.000 0.488 388 I N 2.714 123.283 120.570 -0.001 0.000 2.452 388 I HA 0.150 4.320 4.170 -0.000 0.000 0.287 388 I C 0.639 176.787 176.117 0.053 0.000 1.079 388 I CA -0.442 60.861 61.300 0.005 0.000 1.387 388 I CB 0.454 38.448 38.000 -0.010 0.000 1.404 388 I HN 0.075 nan 8.210 nan 0.000 0.522 389 R N 8.007 128.526 120.500 0.032 0.000 2.538 389 R HA 0.126 4.466 4.340 -0.000 0.000 0.282 389 R C -0.534 175.793 176.300 0.045 0.000 1.009 389 R CA 0.490 56.604 56.100 0.024 0.000 1.063 389 R CB 0.426 30.732 30.300 0.010 0.000 0.945 389 R HN 0.762 nan 8.270 nan 0.000 0.414 390 K N 2.267 122.639 120.400 -0.047 0.000 2.615 390 K HA 0.280 4.600 4.320 -0.000 0.000 0.291 390 K C -1.652 174.833 176.600 -0.192 0.000 1.017 390 K CA -1.102 55.059 56.287 -0.209 0.000 0.882 390 K CB 1.559 33.829 32.500 -0.383 0.000 1.522 390 K HN 0.531 nan 8.250 nan 0.000 0.412 391 Q N 0.750 120.397 119.800 -0.256 0.000 2.379 391 Q HA 0.376 4.716 4.340 -0.000 0.000 0.278 391 Q C -1.290 174.606 176.000 -0.173 0.000 1.068 391 Q CA -1.012 54.696 55.803 -0.160 0.000 0.816 391 Q CB 2.266 30.946 28.738 -0.097 0.000 1.387 391 Q HN 0.509 nan 8.270 nan 0.000 0.413 392 R N 0.965 121.400 120.500 -0.109 0.000 2.604 392 R HA 0.655 4.995 4.340 -0.000 0.000 0.287 392 R C -0.697 175.584 176.300 -0.032 0.000 0.970 392 R CA -0.501 55.553 56.100 -0.076 0.000 0.946 392 R CB 1.576 31.842 30.300 -0.056 0.000 1.127 392 R HN 0.485 nan 8.270 nan 0.000 0.473 393 V N -1.041 118.873 119.914 -0.001 0.000 2.888 393 V HA 0.440 4.560 4.120 -0.000 0.000 0.309 393 V C -0.211 175.911 176.094 0.047 0.000 1.114 393 V CA -1.347 60.965 62.300 0.020 0.000 0.940 393 V CB 2.279 34.119 31.823 0.028 0.000 1.021 393 V HN 0.543 nan 8.190 nan 0.000 0.426 394 K N 1.910 122.339 120.400 0.049 0.000 2.412 394 K HA 0.474 4.794 4.320 -0.000 0.000 0.284 394 K C 1.483 178.146 176.600 0.105 0.000 1.046 394 K CA 0.524 56.850 56.287 0.066 0.000 0.999 394 K CB 1.312 33.843 32.500 0.052 0.000 0.941 394 K HN 0.985 nan 8.250 nan 0.000 0.474 395 A N 3.878 126.781 122.820 0.138 0.000 1.940 395 A HA -0.226 4.094 4.320 -0.000 0.000 0.221 395 A C 1.903 179.655 177.584 0.280 0.000 1.190 395 A CA 2.288 54.466 52.037 0.236 0.000 0.647 395 A CB -0.688 18.450 19.000 0.230 0.000 0.821 395 A HN 0.596 nan 8.150 nan 0.000 0.457 396 V N -0.340 119.674 119.914 0.166 0.000 2.332 396 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 396 V C 2.258 178.444 176.094 0.153 0.000 1.055 396 V CA 2.388 64.774 62.300 0.144 0.000 1.038 396 V CB -1.217 30.653 31.823 0.079 0.000 0.651 396 V HN 0.671 nan 8.190 nan 0.000 0.450 397 E N 0.186 120.455 120.200 0.114 0.000 2.077 397 E HA -0.202 4.147 4.350 -0.000 0.000 0.193 397 E C 2.131 178.785 176.600 0.091 0.000 0.989 397 E CA 1.341 57.792 56.400 0.085 0.000 0.800 397 E CB -0.259 29.474 29.700 0.056 0.000 0.746 397 E HN 0.455 nan 8.360 nan 0.000 0.452 398 L N 0.135 121.420 121.223 0.103 0.000 2.005 398 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 398 L C 1.990 178.860 176.870 0.000 0.000 1.072 398 L CA 1.600 56.462 54.840 0.036 0.000 0.744 398 L CB -0.411 41.651 42.059 0.005 0.000 0.895 398 L HN 0.017 nan 8.230 nan 0.000 0.433 399 F N -0.276 119.700 119.950 0.044 0.000 2.095 399 F HA -0.254 4.272 4.527 -0.000 0.000 0.298 399 F C 2.630 178.459 175.800 0.049 0.000 1.104 399 F CA 1.907 59.938 58.000 0.052 0.000 1.232 399 F CB -0.828 38.209 39.000 0.062 0.000 0.987 399 F HN 0.092 nan 8.300 nan 0.000 0.475 400 S N 0.277 116.107 115.700 0.218 0.000 2.368 400 S HA -0.199 4.271 4.470 -0.000 0.000 0.225 400 S C 1.915 176.561 174.600 0.076 0.000 1.030 400 S CA 1.178 59.453 58.200 0.126 0.000 0.999 400 S CB -0.767 62.485 63.200 0.086 0.000 0.844 400 S HN 0.272 nan 8.310 nan 0.000 0.459 401 L N 1.921 123.179 121.223 0.058 0.000 2.012 401 L HA -0.021 4.319 4.340 -0.000 0.000 0.210 401 L C 2.324 179.210 176.870 0.026 0.000 1.073 401 L CA 1.910 56.767 54.840 0.029 0.000 0.748 401 L CB -0.684 41.383 42.059 0.014 0.000 0.891 401 L HN 0.380 nan 8.230 nan 0.000 0.431 402 M N -1.800 117.811 119.600 0.018 0.000 2.117 402 M HA -0.233 4.246 4.480 -0.000 0.000 0.262 402 M C 2.002 178.335 176.300 0.056 0.000 1.065 402 M CA 1.807 57.118 55.300 0.019 0.000 1.114 402 M CB -0.040 32.538 32.600 -0.036 0.000 1.361 402 M HN 0.291 nan 8.290 nan 0.000 0.408 403 M N 0.026 119.678 119.600 0.086 0.000 2.229 403 M HA -0.173 4.307 4.480 -0.000 0.000 0.264 403 M C 2.039 178.368 176.300 0.049 0.000 1.063 403 M CA 1.635 56.991 55.300 0.092 0.000 1.114 403 M CB -1.469 31.202 32.600 0.119 0.000 1.387 403 M HN 0.471 nan 8.290 nan 0.000 0.420 404 Q N 0.240 120.060 119.800 0.035 0.000 1.993 404 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 404 Q C 1.949 177.959 176.000 0.018 0.000 0.984 404 Q CA 1.440 57.251 55.803 0.014 0.000 0.837 404 Q CB 0.157 28.902 28.738 0.012 0.000 0.902 404 Q HN 0.359 nan 8.270 nan 0.000 0.423 405 E N 0.184 120.399 120.200 0.025 0.000 2.110 405 E HA -0.215 4.134 4.350 -0.000 0.000 0.193 405 E C 1.906 178.528 176.600 0.037 0.000 0.988 405 E CA 0.897 57.313 56.400 0.027 0.000 0.804 405 E CB -0.267 29.448 29.700 0.025 0.000 0.745 405 E HN 0.318 nan 8.360 nan 0.000 0.458 406 R N 0.731 121.261 120.500 0.050 0.000 2.083 406 R HA -0.141 4.199 4.340 -0.000 0.000 0.237 406 R C 2.258 178.605 176.300 0.080 0.000 1.137 406 R CA 1.521 57.664 56.100 0.072 0.000 0.951 406 R CB -0.229 30.137 30.300 0.109 0.000 0.851 406 R HN 0.127 nan 8.270 nan 0.000 0.434 407 A N 0.641 123.495 122.820 0.057 0.000 1.873 407 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 407 A C 2.248 179.853 177.584 0.036 0.000 1.193 407 A CA 2.371 54.430 52.037 0.036 0.000 0.629 407 A CB -0.812 18.176 19.000 -0.019 0.000 0.826 407 A HN 0.614 nan 8.150 nan 0.000 0.447 408 S N -0.557 115.157 115.700 0.024 0.000 2.355 408 S HA -0.154 4.316 4.470 -0.000 0.000 0.222 408 S C 2.034 176.653 174.600 0.031 0.000 1.031 408 S CA 1.938 60.150 58.200 0.020 0.000 0.993 408 S CB -1.099 62.108 63.200 0.013 0.000 0.859 408 S HN 0.883 nan 8.310 nan 0.000 0.453 409 T N -1.835 112.742 114.554 0.039 0.000 3.044 409 T HA 0.412 4.762 4.350 -0.000 0.000 0.255 409 T C 1.739 176.478 174.700 0.064 0.000 1.073 409 T CA 1.126 63.253 62.100 0.044 0.000 1.125 409 T CB -0.418 68.474 68.868 0.040 0.000 0.908 409 T HN 0.994 nan 8.240 nan 0.000 0.480 410 G N 2.117 110.968 108.800 0.085 0.000 2.179 410 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.260 410 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.260 410 G C 0.681 175.709 174.900 0.213 0.000 0.977 410 G CA 0.229 45.418 45.100 0.149 0.000 0.641 410 G HN 0.607 nan 8.290 nan 0.000 0.533 411 R N -0.197 120.336 120.500 0.056 0.000 2.700 411 R HA 0.402 4.741 4.340 -0.000 0.000 0.399 411 R C -0.063 175.910 176.300 -0.545 0.000 1.115 411 R CA -0.328 55.648 56.100 -0.208 0.000 1.058 411 R CB 0.356 30.606 30.300 -0.084 0.000 1.389 411 R HN 0.344 nan 8.270 nan 0.000 0.582 412 I N 2.372 122.757 120.570 -0.308 0.000 2.371 412 I HA 0.280 4.450 4.170 -0.000 0.000 0.282 412 I C -0.309 175.727 176.117 -0.135 0.000 1.031 412 I CA -1.481 59.672 61.300 -0.246 0.000 1.180 412 I CB 0.137 38.120 38.000 -0.028 0.000 1.336 412 I HN -0.027 nan 8.210 nan 0.000 0.467 413 Y N 5.754 126.097 120.300 0.072 0.000 2.374 413 Y HA 0.552 5.103 4.550 0.000 0.000 0.322 413 Y C 0.530 176.493 175.900 0.105 0.000 1.275 413 Y CA -1.216 56.949 58.100 0.109 0.000 1.307 413 Y CB 0.851 39.389 38.460 0.131 0.000 1.282 413 Y HN 0.220 nan 8.280 nan 0.000 0.509 414 I N 1.317 122.092 120.570 0.342 0.000 2.562 414 I HA 0.359 4.529 4.170 -0.000 0.000 0.301 414 I C -0.516 175.759 176.117 0.263 0.000 1.003 414 I CA -1.385 60.070 61.300 0.259 0.000 1.127 414 I CB 1.526 39.696 38.000 0.283 0.000 1.304 414 I HN 0.667 nan 8.210 nan 0.000 0.446 415 Q N 4.606 124.537 119.800 0.219 0.000 2.275 415 Q HA 0.367 4.707 4.340 -0.000 0.000 0.266 415 Q C -1.442 174.634 176.000 0.127 0.000 1.002 415 Q CA -0.587 55.325 55.803 0.183 0.000 0.761 415 Q CB 1.386 30.229 28.738 0.175 0.000 1.255 415 Q HN 0.497 nan 8.270 nan 0.000 0.446 416 N N 4.041 122.829 118.700 0.146 0.000 2.448 416 N HA 0.050 4.790 4.740 -0.000 0.000 0.250 416 N C 1.050 176.547 175.510 -0.021 0.000 1.136 416 N CA 0.128 53.240 53.050 0.102 0.000 0.953 416 N CB 1.543 40.139 38.487 0.181 0.000 1.251 416 N HN 0.585 nan 8.380 nan 0.000 0.502 417 V N -0.225 119.589 119.914 -0.167 0.000 2.719 417 V HA -0.150 3.970 4.120 -0.000 0.000 0.252 417 V C 1.504 177.478 176.094 -0.201 0.000 1.065 417 V CA 1.223 63.392 62.300 -0.219 0.000 1.086 417 V CB -0.385 31.136 31.823 -0.504 0.000 0.700 417 V HN 0.378 nan 8.190 nan 0.000 0.467 418 D N 0.262 120.514 120.400 -0.246 0.000 2.084 418 D HA -0.246 4.394 4.640 -0.000 0.000 0.196 418 D C 1.971 178.292 176.300 0.034 0.000 0.985 418 D CA 2.085 56.010 54.000 -0.124 0.000 0.826 418 D CB -0.952 39.789 40.800 -0.098 0.000 0.978 418 D HN 0.491 nan 8.370 nan 0.000 0.456 419 H N 0.130 119.205 119.070 0.009 0.000 2.353 419 H HA -0.055 4.500 4.556 -0.000 0.000 0.298 419 H C 2.383 177.724 175.328 0.022 0.000 1.103 419 H CA 0.859 56.903 56.048 -0.005 0.000 1.293 419 H CB -1.061 28.677 29.762 -0.040 0.000 1.372 419 H HN 0.296 nan 8.280 nan 0.000 0.501 420 C N 0.692 120.069 119.300 0.129 0.000 2.419 420 C HA -0.052 4.408 4.460 -0.000 0.000 0.283 420 C C 2.357 177.386 174.990 0.065 0.000 1.373 420 C CA 0.677 59.740 59.018 0.076 0.000 1.781 420 C CB -0.526 27.241 27.740 0.045 0.000 1.886 420 C HN 0.593 nan 8.230 nan 0.000 0.520 421 N N -0.280 118.459 118.700 0.065 0.000 2.510 421 N HA -0.048 4.691 4.740 -0.000 0.000 0.186 421 N C 1.926 177.470 175.510 0.057 0.000 1.051 421 N CA 1.554 54.641 53.050 0.062 0.000 0.877 421 N CB -0.362 38.160 38.487 0.057 0.000 1.183 421 N HN 0.634 nan 8.380 nan 0.000 0.443 422 T N -1.812 112.782 114.554 0.067 0.000 2.951 422 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 422 T C 0.910 175.658 174.700 0.081 0.000 1.073 422 T CA 1.143 63.278 62.100 0.058 0.000 1.134 422 T CB -0.245 68.659 68.868 0.059 0.000 0.884 422 T HN 0.113 nan 8.240 nan 0.000 0.479 423 H N 1.095 120.148 119.070 -0.029 0.000 2.355 423 H HA 0.647 5.202 4.556 -0.000 0.000 0.232 423 H C -0.558 174.744 175.328 -0.044 0.000 1.422 423 H CA -0.839 55.171 56.048 -0.064 0.000 1.261 423 H CB -0.034 29.674 29.762 -0.090 0.000 1.595 423 H HN 0.359 nan 8.280 nan 0.000 0.529 424 S N 1.567 117.190 115.700 -0.129 0.000 2.632 424 S HA 0.441 4.911 4.470 -0.000 0.000 0.289 424 S C -2.205 172.261 174.600 -0.223 0.000 1.115 424 S CA -1.547 56.568 58.200 -0.142 0.000 0.889 424 S CB 1.921 65.143 63.200 0.037 0.000 1.116 424 S HN 0.214 nan 8.310 nan 0.000 0.486 425 P HA 0.201 nan 4.420 nan 0.000 0.233 425 P C -0.339 176.600 177.300 -0.600 0.000 1.167 425 P CA 0.525 63.310 63.100 -0.526 0.000 0.770 425 P CB -0.186 31.248 31.700 -0.444 0.000 0.837 426 F N 0.100 120.011 119.950 -0.067 0.000 2.483 426 F HA 0.359 4.886 4.527 -0.000 0.000 0.329 426 F C 0.960 176.727 175.800 -0.056 0.000 1.064 426 F CA -1.150 56.824 58.000 -0.043 0.000 0.986 426 F CB 0.490 39.480 39.000 -0.017 0.000 1.218 426 F HN -0.319 nan 8.300 nan 0.000 0.484 427 D N 2.862 123.361 120.400 0.165 0.000 2.295 427 D HA 0.202 4.842 4.640 -0.000 0.000 0.248 427 D C -1.818 174.533 176.300 0.085 0.000 1.154 427 D CA -2.104 51.941 54.000 0.076 0.000 0.857 427 D CB 1.701 42.525 40.800 0.039 0.000 1.117 427 D HN 0.089 nan 8.370 nan 0.000 0.468 428 P HA -0.082 nan 4.420 nan 0.000 0.218 428 P C 0.903 178.232 177.300 0.049 0.000 1.149 428 P CA 0.917 64.053 63.100 0.061 0.000 0.817 428 P CB 0.192 31.929 31.700 0.062 0.000 0.785 429 A N -0.697 122.147 122.820 0.041 0.000 2.015 429 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 429 A C 2.017 179.611 177.584 0.017 0.000 1.163 429 A CA 1.345 53.402 52.037 0.033 0.000 0.646 429 A CB -1.187 17.829 19.000 0.026 0.000 0.806 429 A HN 0.256 nan 8.150 nan 0.000 0.448 430 I N -3.897 116.678 120.570 0.009 0.000 4.032 430 I HA 0.388 4.558 4.170 -0.000 0.000 0.313 430 I C 0.963 177.055 176.117 -0.041 0.000 1.272 430 I CA 0.662 61.950 61.300 -0.020 0.000 1.307 430 I CB 0.462 38.448 38.000 -0.024 0.000 1.155 430 I HN 0.154 nan 8.210 nan 0.000 0.431 431 A N 2.865 125.672 122.820 -0.022 0.000 3.307 431 A HA 0.512 4.832 4.320 -0.000 0.000 0.289 431 A C -2.819 174.690 177.584 -0.126 0.000 1.138 431 A CA -0.871 51.108 52.037 -0.096 0.000 0.860 431 A CB -0.168 18.780 19.000 -0.087 0.000 1.318 431 A HN -0.079 nan 8.150 nan 0.000 0.551 432 P HA 0.320 nan 4.420 nan 0.000 0.274 432 P C -0.226 176.979 177.300 -0.159 0.000 1.246 432 P CA -0.071 62.988 63.100 -0.069 0.000 0.795 432 P CB 1.390 33.072 31.700 -0.030 0.000 1.006 433 V N 3.682 123.532 119.914 -0.107 0.000 2.328 433 V HA 0.282 4.402 4.120 -0.000 0.000 0.278 433 V C 1.345 177.314 176.094 -0.209 0.000 1.021 433 V CA -0.117 62.089 62.300 -0.156 0.000 0.838 433 V CB 0.477 32.258 31.823 -0.071 0.000 0.999 433 V HN 0.501 nan 8.190 nan 0.000 0.447 434 R N 4.368 124.639 120.500 -0.381 0.000 2.629 434 R HA 0.312 4.652 4.340 -0.000 0.000 0.386 434 R C 0.137 176.186 176.300 -0.419 0.000 1.071 434 R CA -0.099 55.575 56.100 -0.711 0.000 1.104 434 R CB 0.744 30.397 30.300 -1.078 0.000 1.370 434 R HN 0.903 nan 8.270 nan 0.000 0.574 435 Q N -1.981 117.589 119.800 -0.384 0.000 3.077 435 Q HA 0.279 4.618 4.340 -0.000 0.000 0.317 435 Q C -1.708 173.853 176.000 -0.732 0.000 0.864 435 Q CA -0.697 54.693 55.803 -0.689 0.000 0.808 435 Q CB 1.100 29.505 28.738 -0.554 0.000 1.532 435 Q HN -0.033 nan 8.270 nan 0.000 0.474 436 S N -0.330 114.637 115.700 -1.222 0.000 2.921 436 S HA 0.635 5.105 4.470 -0.000 0.000 0.315 436 S C -1.034 173.413 174.600 -0.256 0.000 1.087 436 S CA -0.073 57.805 58.200 -0.536 0.000 0.877 436 S CB 1.100 64.136 63.200 -0.273 0.000 1.340 436 S HN 0.815 nan 8.310 nan 0.000 0.622 437 N N 0.433 119.109 118.700 -0.041 0.000 2.776 437 N HA 0.231 4.970 4.740 -0.000 0.000 0.319 437 N C 0.962 176.539 175.510 0.112 0.000 1.316 437 N CA -0.611 52.459 53.050 0.033 0.000 0.890 437 N CB -0.543 37.917 38.487 -0.045 0.000 1.165 437 N HN 0.476 nan 8.380 nan 0.000 0.596 438 L N 0.432 121.675 121.223 0.032 0.000 1.990 438 L HA -0.046 4.294 4.340 -0.000 0.000 0.213 438 L C 1.433 178.243 176.870 -0.101 0.000 1.072 438 L CA 1.812 56.662 54.840 0.016 0.000 0.755 438 L CB -0.664 41.400 42.059 0.008 0.000 0.889 438 L HN 0.721 nan 8.230 nan 0.000 0.432 439 C N 0.698 119.833 119.300 -0.275 0.000 2.525 439 C HA 0.355 4.815 4.460 -0.000 0.000 0.313 439 C C 1.070 175.446 174.990 -1.023 0.000 1.311 439 C CA -1.004 57.531 59.018 -0.806 0.000 1.725 439 C CB -1.518 25.898 27.740 -0.540 0.000 1.926 439 C HN 0.554 nan 8.230 nan 0.000 0.595 440 L N 1.788 122.690 121.223 -0.535 0.000 3.839 440 L HA -0.250 4.090 4.340 -0.000 0.000 0.416 440 L C 1.860 178.591 176.870 -0.233 0.000 1.195 440 L CA 1.488 56.146 54.840 -0.303 0.000 0.946 440 L CB -1.789 40.065 42.059 -0.342 0.000 1.891 440 L HN 0.739 nan 8.230 nan 0.000 0.963 441 Q N -1.326 118.348 119.800 -0.210 0.000 2.353 441 Q HA 0.119 4.459 4.340 -0.000 0.000 0.240 441 Q C 0.882 176.832 176.000 -0.083 0.000 0.868 441 Q CA -0.020 55.701 55.803 -0.135 0.000 0.944 441 Q CB 0.840 29.493 28.738 -0.140 0.000 1.104 441 Q HN 0.455 nan 8.270 nan 0.000 0.531 442 I N 2.337 122.856 120.570 -0.086 0.000 2.472 442 I HA 0.463 4.633 4.170 -0.000 0.000 0.290 442 I C -0.277 175.798 176.117 -0.069 0.000 1.016 442 I CA -0.416 60.848 61.300 -0.059 0.000 1.348 442 I CB 1.278 39.240 38.000 -0.063 0.000 1.417 442 I HN 0.244 nan 8.210 nan 0.000 0.521 443 A N 8.190 130.991 122.820 -0.031 0.000 2.599 443 A HA 0.751 5.071 4.320 -0.000 0.000 0.281 443 A C -0.995 176.594 177.584 0.009 0.000 1.137 443 A CA -0.395 51.617 52.037 -0.041 0.000 0.767 443 A CB 0.687 19.675 19.000 -0.020 0.000 1.266 443 A HN 0.595 nan 8.150 nan 0.000 0.420 444 L N 1.692 122.865 121.223 -0.083 0.000 2.415 444 L HA 0.580 4.920 4.340 -0.000 0.000 0.256 444 L C -2.680 174.009 176.870 -0.302 0.000 1.010 444 L CA -2.483 52.258 54.840 -0.164 0.000 0.826 444 L CB 2.785 44.798 42.059 -0.076 0.000 1.405 444 L HN 0.324 nan 8.230 nan 0.000 0.410 445 P HA 0.190 nan 4.420 nan 0.000 0.268 445 P C -0.991 176.187 177.300 -0.203 0.000 1.205 445 P CA -0.105 62.760 63.100 -0.393 0.000 0.771 445 P CB 0.705 32.103 31.700 -0.503 0.000 0.858 446 T N -0.486 113.973 114.554 -0.159 0.000 2.900 446 T HA 0.675 5.024 4.350 -0.000 0.000 0.303 446 T C -0.897 173.761 174.700 -0.069 0.000 1.142 446 T CA -1.070 60.975 62.100 -0.093 0.000 1.007 446 T CB 1.833 70.641 68.868 -0.100 0.000 1.156 446 T HN 0.131 nan 8.240 nan 0.000 0.490 447 K N 1.643 122.024 120.400 -0.030 0.000 2.427 447 K HA 0.611 4.931 4.320 -0.000 0.000 0.252 447 K C -2.944 173.653 176.600 -0.005 0.000 0.931 447 K CA -2.392 53.883 56.287 -0.021 0.000 0.793 447 K CB 2.197 34.689 32.500 -0.013 0.000 1.211 447 K HN 0.360 nan 8.250 nan 0.000 0.426 448 P HA 0.032 nan 4.420 nan 0.000 0.268 448 P C -0.894 176.418 177.300 0.019 0.000 1.205 448 P CA -0.388 62.716 63.100 0.007 0.000 0.771 448 P CB 0.462 32.166 31.700 0.007 0.000 0.858 449 L N 3.562 124.802 121.223 0.030 0.000 2.375 449 L HA 0.270 4.610 4.340 -0.000 0.000 0.271 449 L C 1.618 178.512 176.870 0.040 0.000 1.107 449 L CA 0.481 55.344 54.840 0.038 0.000 0.806 449 L CB 0.105 42.193 42.059 0.048 0.000 1.146 449 L HN 0.289 nan 8.230 nan 0.000 0.447 450 N N 0.645 119.367 118.700 0.037 0.000 2.322 450 N HA 0.056 4.796 4.740 -0.000 0.000 0.181 450 N C -0.648 174.887 175.510 0.042 0.000 1.088 450 N CA 0.299 53.372 53.050 0.037 0.000 0.885 450 N CB 0.481 38.985 38.487 0.029 0.000 1.013 450 N HN 0.761 nan 8.380 nan 0.000 0.472 451 D N -2.213 118.213 120.400 0.043 0.000 2.663 451 D HA 0.053 4.693 4.640 -0.000 0.000 0.233 451 D C 0.606 176.933 176.300 0.045 0.000 1.240 451 D CA -0.541 53.485 54.000 0.044 0.000 0.774 451 D CB 1.092 41.913 40.800 0.036 0.000 1.443 451 D HN -0.258 nan 8.370 nan 0.000 0.441 452 V N 2.452 122.394 119.914 0.046 0.000 2.380 452 V HA -0.133 3.987 4.120 -0.000 0.000 0.251 452 V C 0.704 176.821 176.094 0.037 0.000 1.063 452 V CA 1.897 64.223 62.300 0.044 0.000 1.055 452 V CB -0.466 31.380 31.823 0.038 0.000 0.657 452 V HN 0.601 nan 8.190 nan 0.000 0.455 453 N N 0.618 119.337 118.700 0.032 0.000 2.295 453 N HA 0.072 4.812 4.740 -0.000 0.000 0.221 453 N C -0.021 175.508 175.510 0.032 0.000 1.129 453 N CA -0.020 53.047 53.050 0.029 0.000 0.836 453 N CB -0.141 38.359 38.487 0.022 0.000 1.040 453 N HN 0.527 nan 8.380 nan 0.000 0.494 454 D N 1.704 122.126 120.400 0.036 0.000 2.434 454 D HA -0.048 4.592 4.640 -0.000 0.000 0.252 454 D C 0.897 177.221 176.300 0.040 0.000 1.185 454 D CA 0.394 54.415 54.000 0.035 0.000 0.886 454 D CB 0.906 41.728 40.800 0.036 0.000 1.148 454 D HN 0.093 nan 8.370 nan 0.000 0.483 455 E N 2.852 123.074 120.200 0.038 0.000 2.481 455 E HA -0.040 4.309 4.350 -0.000 0.000 0.195 455 E C 0.374 177.007 176.600 0.055 0.000 1.047 455 E CA 0.267 56.695 56.400 0.045 0.000 0.867 455 E CB -0.041 29.683 29.700 0.040 0.000 0.858 455 E HN 0.562 nan 8.360 nan 0.000 0.513 456 N N 0.378 119.103 118.700 0.043 0.000 2.230 456 N HA 0.090 4.830 4.740 -0.000 0.000 0.202 456 N C 0.523 176.054 175.510 0.035 0.000 1.119 456 N CA -0.162 52.909 53.050 0.036 0.000 0.851 456 N CB 1.009 39.505 38.487 0.015 0.000 0.990 456 N HN -0.022 nan 8.380 nan 0.000 0.497 457 G N 0.289 109.117 108.800 0.047 0.000 2.502 457 G HA2 0.370 4.330 3.960 -0.000 0.000 0.305 457 G HA3 0.370 4.330 3.960 -0.000 0.000 0.305 457 G C -0.901 174.038 174.900 0.066 0.000 1.190 457 G CA -0.248 44.879 45.100 0.045 0.000 0.933 457 G HN 0.106 nan 8.290 nan 0.000 0.503 458 E N -0.209 120.025 120.200 0.057 0.000 2.274 458 E HA 0.426 4.776 4.350 -0.000 0.000 0.269 458 E C -1.323 175.304 176.600 0.044 0.000 0.891 458 E CA -0.554 55.893 56.400 0.077 0.000 0.784 458 E CB 1.792 31.553 29.700 0.102 0.000 1.225 458 E HN 0.310 nan 8.360 nan 0.000 0.412 459 I N 3.270 123.872 120.570 0.053 0.000 2.378 459 I HA 0.466 4.636 4.170 -0.000 0.000 0.291 459 I C 0.015 176.140 176.117 0.012 0.000 0.992 459 I CA -0.478 60.840 61.300 0.031 0.000 1.154 459 I CB 1.720 39.765 38.000 0.075 0.000 1.315 459 I HN 0.575 nan 8.210 nan 0.000 0.448 460 A N 7.500 130.303 122.820 -0.028 0.000 2.302 460 A HA 0.832 5.151 4.320 -0.000 0.000 0.285 460 A C -0.650 176.906 177.584 -0.046 0.000 1.105 460 A CA -0.332 51.686 52.037 -0.031 0.000 0.816 460 A CB 0.686 19.651 19.000 -0.058 0.000 1.067 460 A HN 0.689 nan 8.150 nan 0.000 0.489 461 L N -0.038 121.175 121.223 -0.017 0.000 2.309 461 L HA 0.381 4.720 4.340 -0.000 0.000 0.261 461 L C -0.896 175.964 176.870 -0.017 0.000 1.021 461 L CA -0.828 53.995 54.840 -0.029 0.000 0.823 461 L CB 2.219 44.306 42.059 0.047 0.000 1.366 461 L HN 0.685 nan 8.230 nan 0.000 0.423 462 c N 0.898 119.481 118.600 -0.028 0.000 2.192 462 c HA 0.308 4.878 4.570 -0.000 0.000 0.337 462 c C 0.546 174.641 174.090 0.008 0.000 1.103 462 c CA -0.500 55.821 56.329 -0.014 0.000 1.581 462 c CB -0.713 41.782 42.510 -0.026 0.000 2.070 462 c HN 0.562 nan 8.230 nan 0.000 0.485 463 T N 5.707 120.271 114.554 0.018 0.000 2.910 463 T HA 0.452 4.801 4.350 -0.000 0.000 0.323 463 T C 0.040 174.742 174.700 0.004 0.000 1.091 463 T CA 0.021 62.133 62.100 0.020 0.000 0.960 463 T CB -0.006 68.881 68.868 0.033 0.000 1.024 463 T HN 0.422 nan 8.240 nan 0.000 0.509 464 L N 1.611 122.833 121.223 -0.001 0.000 2.313 464 L HA 0.905 5.245 4.340 -0.000 0.000 0.268 464 L C 0.409 177.264 176.870 -0.025 0.000 1.010 464 L CA -0.874 53.957 54.840 -0.016 0.000 0.814 464 L CB 1.874 43.929 42.059 -0.008 0.000 1.304 464 L HN 0.485 nan 8.230 nan 0.000 0.441 465 S N -0.582 115.080 115.700 -0.063 0.000 2.636 465 S HA 0.855 5.325 4.470 -0.000 0.000 0.266 465 S C -1.881 172.608 174.600 -0.184 0.000 1.147 465 S CA -0.185 57.959 58.200 -0.092 0.000 0.815 465 S CB 1.967 65.111 63.200 -0.092 0.000 1.119 465 S HN 0.884 nan 8.310 nan 0.000 0.470 466 A N 1.103 123.801 122.820 -0.203 0.000 2.572 466 A HA 0.826 5.146 4.320 -0.000 0.000 0.295 466 A C -1.883 175.532 177.584 -0.281 0.000 1.072 466 A CA -0.540 51.331 52.037 -0.276 0.000 0.691 466 A CB 0.684 19.636 19.000 -0.081 0.000 1.291 466 A HN 0.491 nan 8.150 nan 0.000 0.404 467 F N 1.437 121.384 119.950 -0.006 0.000 2.396 467 F HA 0.377 4.904 4.527 -0.000 0.000 0.343 467 F C 0.917 176.712 175.800 -0.010 0.000 1.104 467 F CA -0.954 57.028 58.000 -0.030 0.000 1.161 467 F CB 0.974 39.930 39.000 -0.073 0.000 1.146 467 F HN 0.571 nan 8.300 nan 0.000 0.522 468 N N 3.829 122.648 118.700 0.199 0.000 2.482 468 N HA 0.115 4.855 4.740 -0.000 0.000 0.242 468 N C 0.689 176.278 175.510 0.131 0.000 1.100 468 N CA 0.097 53.237 53.050 0.149 0.000 0.946 468 N CB 0.308 38.879 38.487 0.140 0.000 1.227 468 N HN 0.696 nan 8.380 nan 0.000 0.508 469 L N 1.794 123.075 121.223 0.098 0.000 2.450 469 L HA -0.024 4.315 4.340 -0.000 0.000 0.224 469 L C 1.987 178.995 176.870 0.230 0.000 1.149 469 L CA 1.011 55.852 54.840 0.002 0.000 0.816 469 L CB -0.126 41.746 42.059 -0.311 0.000 0.932 469 L HN 0.534 nan 8.230 nan 0.000 0.449 470 G N -0.934 108.057 108.800 0.318 0.000 2.880 470 G HA2 0.138 4.098 3.960 -0.000 0.000 0.209 470 G HA3 0.138 4.098 3.960 -0.000 0.000 0.209 470 G C 1.343 176.421 174.900 0.296 0.000 1.157 470 G CA 0.578 45.955 45.100 0.462 0.000 0.779 470 G HN 0.410 nan 8.290 nan 0.000 0.539 471 A N 0.156 123.087 122.820 0.185 0.000 2.390 471 A HA 0.568 4.888 4.320 -0.000 0.000 0.232 471 A C 0.816 178.447 177.584 0.078 0.000 1.233 471 A CA -0.292 51.819 52.037 0.123 0.000 0.907 471 A CB -0.174 18.892 19.000 0.110 0.000 0.967 471 A HN 0.500 nan 8.150 nan 0.000 0.512 472 I N -4.040 116.583 120.570 0.089 0.000 2.488 472 I HA 0.469 4.639 4.170 -0.000 0.000 0.299 472 I C 0.413 176.577 176.117 0.078 0.000 0.984 472 I CA -0.803 60.521 61.300 0.040 0.000 1.250 472 I CB 1.015 39.011 38.000 -0.006 0.000 1.389 472 I HN -0.109 nan 8.210 nan 0.000 0.488 473 N N 3.042 121.766 118.700 0.039 0.000 2.387 473 N HA 0.029 4.768 4.740 -0.000 0.000 0.176 473 N C -0.324 175.222 175.510 0.059 0.000 1.022 473 N CA 0.582 53.659 53.050 0.046 0.000 0.883 473 N CB -0.163 38.328 38.487 0.006 0.000 1.019 473 N HN 0.891 nan 8.380 nan 0.000 0.435 474 N N -1.170 117.549 118.700 0.032 0.000 2.455 474 N HA 0.290 5.029 4.740 -0.000 0.000 0.278 474 N C 0.212 175.739 175.510 0.028 0.000 1.291 474 N CA -0.657 52.419 53.050 0.044 0.000 0.780 474 N CB 1.383 39.883 38.487 0.021 0.000 1.520 474 N HN -0.264 nan 8.380 nan 0.000 0.486 475 L N -0.450 120.807 121.223 0.057 0.000 2.353 475 L HA -0.077 4.263 4.340 -0.000 0.000 0.220 475 L C 0.628 177.541 176.870 0.070 0.000 1.133 475 L CA 0.950 55.824 54.840 0.057 0.000 0.798 475 L CB -0.388 41.740 42.059 0.115 0.000 0.922 475 L HN 0.684 nan 8.230 nan 0.000 0.445 476 D N 0.119 120.553 120.400 0.055 0.000 2.363 476 D HA -0.095 4.545 4.640 -0.000 0.000 0.220 476 D C 1.583 177.767 176.300 -0.192 0.000 0.994 476 D CA 0.572 54.565 54.000 -0.012 0.000 0.890 476 D CB 0.138 40.965 40.800 0.046 0.000 0.906 476 D HN 0.511 nan 8.370 nan 0.000 0.530 477 E N 0.248 120.350 120.200 -0.163 0.000 2.482 477 E HA 0.004 4.354 4.350 -0.000 0.000 0.196 477 E C 1.972 178.386 176.600 -0.310 0.000 1.047 477 E CA 0.007 56.284 56.400 -0.204 0.000 0.869 477 E CB 0.180 29.791 29.700 -0.147 0.000 0.836 477 E HN 0.301 nan 8.360 nan 0.000 0.520 478 L N 1.015 122.010 121.223 -0.381 0.000 2.217 478 L HA -0.149 4.191 4.340 -0.000 0.000 0.211 478 L C 2.624 179.123 176.870 -0.618 0.000 1.107 478 L CA 0.995 55.526 54.840 -0.515 0.000 0.783 478 L CB -0.215 41.621 42.059 -0.372 0.000 0.919 478 L HN 0.184 nan 8.230 nan 0.000 0.442 479 E N 0.539 120.142 120.200 -0.995 0.000 2.058 479 E HA -0.317 4.033 4.350 -0.000 0.000 0.194 479 E C 2.014 178.372 176.600 -0.403 0.000 0.997 479 E CA 1.727 57.557 56.400 -0.949 0.000 0.801 479 E CB 0.116 29.146 29.700 -1.116 0.000 0.746 479 E HN 0.346 nan 8.360 nan 0.000 0.450 480 E N 0.571 120.581 120.200 -0.318 0.000 2.047 480 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 480 E C 2.129 178.659 176.600 -0.115 0.000 0.987 480 E CA 1.289 57.581 56.400 -0.181 0.000 0.799 480 E CB -0.334 29.264 29.700 -0.171 0.000 0.752 480 E HN 0.390 nan 8.360 nan 0.000 0.449 481 L N 0.019 121.142 121.223 -0.167 0.000 2.046 481 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 481 L C 2.572 179.491 176.870 0.080 0.000 1.077 481 L CA 1.119 55.919 54.840 -0.067 0.000 0.747 481 L CB -0.687 41.271 42.059 -0.170 0.000 0.896 481 L HN 0.215 nan 8.230 nan 0.000 0.432 482 A N 0.510 123.301 122.820 -0.048 0.000 1.902 482 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 482 A C 2.246 179.916 177.584 0.144 0.000 1.181 482 A CA 1.521 53.646 52.037 0.148 0.000 0.623 482 A CB -0.662 18.367 19.000 0.048 0.000 0.818 482 A HN 0.319 nan 8.150 nan 0.000 0.443 483 I N -0.603 120.009 120.570 0.070 0.000 2.087 483 I HA -0.288 3.882 4.170 -0.000 0.000 0.240 483 I C 2.308 178.546 176.117 0.201 0.000 1.054 483 I CA 1.270 62.638 61.300 0.113 0.000 1.311 483 I CB -0.443 37.614 38.000 0.094 0.000 1.024 483 I HN 0.229 nan 8.210 nan 0.000 0.402 484 L N 0.665 122.028 121.223 0.233 0.000 2.046 484 L HA -0.179 4.160 4.340 -0.000 0.000 0.208 484 L C 2.734 179.866 176.870 0.437 0.000 1.077 484 L CA 2.164 57.234 54.840 0.384 0.000 0.747 484 L CB -1.809 40.463 42.059 0.355 0.000 0.896 484 L HN 0.251 nan 8.230 nan 0.000 0.432 485 A N -0.783 122.238 122.820 0.335 0.000 1.845 485 A HA -0.152 4.168 4.320 -0.000 0.000 0.215 485 A C 2.433 180.122 177.584 0.175 0.000 1.195 485 A CA 1.973 54.175 52.037 0.275 0.000 0.616 485 A CB -0.942 18.185 19.000 0.212 0.000 0.832 485 A HN 0.192 nan 8.150 nan 0.000 0.443 486 V N -0.065 119.937 119.914 0.146 0.000 2.255 486 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 486 V C 2.681 178.800 176.094 0.041 0.000 1.051 486 V CA 2.473 64.818 62.300 0.074 0.000 1.018 486 V CB -0.878 30.983 31.823 0.064 0.000 0.641 486 V HN 0.525 nan 8.190 nan 0.000 0.445 487 R N -0.052 120.496 120.500 0.081 0.000 2.081 487 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 487 R C 2.417 178.599 176.300 -0.197 0.000 1.131 487 R CA 1.554 57.666 56.100 0.019 0.000 0.960 487 R CB -0.657 29.712 30.300 0.114 0.000 0.856 487 R HN 0.553 nan 8.270 nan 0.000 0.436 488 A N 0.809 123.497 122.820 -0.219 0.000 1.898 488 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 488 A C 2.131 179.505 177.584 -0.349 0.000 1.181 488 A CA 1.114 52.801 52.037 -0.582 0.000 0.620 488 A CB -0.513 18.139 19.000 -0.580 0.000 0.819 488 A HN 0.190 nan 8.150 nan 0.000 0.442 489 L N -0.816 120.320 121.223 -0.145 0.000 2.046 489 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 489 L C 2.398 179.213 176.870 -0.092 0.000 1.077 489 L CA 1.856 56.639 54.840 -0.095 0.000 0.747 489 L CB -0.613 41.427 42.059 -0.032 0.000 0.896 489 L HN 0.441 nan 8.230 nan 0.000 0.432 490 D N -0.090 120.258 120.400 -0.087 0.000 2.123 490 D HA -0.195 4.444 4.640 -0.000 0.000 0.196 490 D C 2.156 178.406 176.300 -0.083 0.000 0.992 490 D CA 1.368 55.329 54.000 -0.064 0.000 0.833 490 D CB 0.146 40.915 40.800 -0.051 0.000 0.954 490 D HN 0.279 nan 8.370 nan 0.000 0.455 491 A N -0.010 122.709 122.820 -0.168 0.000 1.902 491 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 491 A C 2.149 179.668 177.584 -0.108 0.000 1.181 491 A CA 1.367 53.298 52.037 -0.176 0.000 0.623 491 A CB -0.935 17.829 19.000 -0.393 0.000 0.818 491 A HN 0.394 nan 8.150 nan 0.000 0.443 492 L N -0.104 121.027 121.223 -0.154 0.000 2.042 492 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 492 L C 2.273 179.196 176.870 0.088 0.000 1.076 492 L CA 1.680 56.476 54.840 -0.073 0.000 0.749 492 L CB -0.473 41.504 42.059 -0.136 0.000 0.893 492 L HN 0.422 nan 8.230 nan 0.000 0.432 493 L N -0.477 120.791 121.223 0.074 0.000 2.021 493 L HA -0.299 4.040 4.340 -0.000 0.000 0.215 493 L C 2.182 179.186 176.870 0.223 0.000 1.074 493 L CA 1.773 56.709 54.840 0.161 0.000 0.760 493 L CB -0.862 41.255 42.059 0.096 0.000 0.889 493 L HN 0.358 nan 8.230 nan 0.000 0.433 494 D N -1.740 118.749 120.400 0.147 0.000 2.234 494 D HA -0.169 4.471 4.640 -0.000 0.000 0.205 494 D C 1.870 178.288 176.300 0.197 0.000 0.962 494 D CA 0.866 54.955 54.000 0.148 0.000 0.855 494 D CB -0.061 40.786 40.800 0.077 0.000 0.951 494 D HN 0.310 nan 8.370 nan 0.000 0.500 495 Y N 1.855 122.195 120.300 0.066 0.000 2.184 495 Y HA -0.106 4.444 4.550 -0.000 0.000 0.290 495 Y C 1.108 177.088 175.900 0.132 0.000 1.129 495 Y CA 0.871 59.019 58.100 0.080 0.000 1.144 495 Y CB 0.026 38.504 38.460 0.030 0.000 0.995 495 Y HN -0.031 nan 8.280 nan 0.000 0.513 496 Q N 0.747 120.711 119.800 0.273 0.000 2.382 496 Q HA 0.219 4.559 4.340 -0.000 0.000 0.229 496 Q C -1.076 174.855 176.000 -0.115 0.000 1.006 496 Q CA -0.696 55.184 55.803 0.128 0.000 0.916 496 Q CB 0.853 29.702 28.738 0.185 0.000 1.235 496 Q HN 0.107 nan 8.270 nan 0.000 0.512 497 D N 0.388 120.642 120.400 -0.243 0.000 2.225 497 D HA 0.255 4.894 4.640 -0.000 0.000 0.249 497 D C -1.327 174.732 176.300 -0.401 0.000 1.052 497 D CA -0.188 53.690 54.000 -0.204 0.000 0.909 497 D CB 0.673 41.373 40.800 -0.168 0.000 1.186 497 D HN 0.403 nan 8.370 nan 0.000 0.431 498 Y N 1.684 121.977 120.300 -0.012 0.000 2.356 498 Y HA 0.239 4.789 4.550 -0.000 0.000 0.334 498 Y C -1.121 174.749 175.900 -0.050 0.000 0.958 498 Y CA -1.669 56.435 58.100 0.006 0.000 1.196 498 Y CB 1.351 39.830 38.460 0.033 0.000 1.137 498 Y HN 0.261 nan 8.280 nan 0.000 0.485 499 P HA -0.105 nan 4.420 nan 0.000 0.216 499 P C 0.016 177.256 177.300 -0.100 0.000 1.150 499 P CA 1.509 64.513 63.100 -0.160 0.000 0.837 499 P CB 0.781 32.242 31.700 -0.399 0.000 0.786 500 I N -0.237 120.316 120.570 -0.028 0.000 2.418 500 I HA 0.223 4.393 4.170 -0.000 0.000 0.287 500 I C -1.701 174.472 176.117 0.093 0.000 1.008 500 I CA -2.938 58.383 61.300 0.035 0.000 1.104 500 I CB 1.214 39.260 38.000 0.077 0.000 1.264 500 I HN -0.270 nan 8.210 nan 0.000 0.438 501 P HA -0.258 nan 4.420 nan 0.000 0.219 501 P C 1.519 178.847 177.300 0.047 0.000 1.161 501 P CA 2.294 65.420 63.100 0.044 0.000 0.909 501 P CB 0.346 32.067 31.700 0.035 0.000 0.793 502 A N -1.020 121.841 122.820 0.069 0.000 2.076 502 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 502 A C 2.218 179.851 177.584 0.081 0.000 1.160 502 A CA 1.941 54.024 52.037 0.076 0.000 0.653 502 A CB -1.323 17.725 19.000 0.080 0.000 0.801 502 A HN 0.252 nan 8.150 nan 0.000 0.455 503 A N -0.296 122.601 122.820 0.128 0.000 1.935 503 A HA 0.038 4.358 4.320 -0.000 0.000 0.214 503 A C 2.026 179.620 177.584 0.017 0.000 1.178 503 A CA 1.604 53.750 52.037 0.181 0.000 0.640 503 A CB -0.313 18.933 19.000 0.411 0.000 0.825 503 A HN 0.490 nan 8.150 nan 0.000 0.447 504 K N -0.179 120.117 120.400 -0.173 0.000 2.009 504 K HA -0.145 4.175 4.320 -0.000 0.000 0.210 504 K C 2.303 178.656 176.600 -0.411 0.000 1.049 504 K CA 1.370 57.242 56.287 -0.692 0.000 0.929 504 K CB -0.205 32.024 32.500 -0.452 0.000 0.714 504 K HN 0.275 nan 8.250 nan 0.000 0.440 505 R N -0.322 120.067 120.500 -0.185 0.000 2.112 505 R HA -0.163 4.177 4.340 -0.000 0.000 0.242 505 R C 2.395 178.552 176.300 -0.239 0.000 1.137 505 R CA 1.989 58.018 56.100 -0.119 0.000 0.944 505 R CB -1.023 29.325 30.300 0.081 0.000 0.857 505 R HN 0.509 nan 8.270 nan 0.000 0.435 506 G N 0.036 108.765 108.800 -0.119 0.000 2.418 506 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 506 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 506 G C 1.559 176.329 174.900 -0.217 0.000 1.158 506 G CA 0.928 45.959 45.100 -0.115 0.000 0.771 506 G HN 0.465 nan 8.290 nan 0.000 0.545 507 A N 0.769 123.466 122.820 -0.206 0.000 1.858 507 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 507 A C 2.434 179.869 177.584 -0.248 0.000 1.190 507 A CA 2.055 53.995 52.037 -0.161 0.000 0.617 507 A CB -0.340 18.612 19.000 -0.080 0.000 0.827 507 A HN 0.284 nan 8.150 nan 0.000 0.443 508 M N -0.362 119.020 119.600 -0.363 0.000 2.229 508 M HA -0.049 4.431 4.480 -0.000 0.000 0.264 508 M C 2.269 178.272 176.300 -0.495 0.000 1.063 508 M CA 1.331 56.425 55.300 -0.344 0.000 1.114 508 M CB -1.829 30.580 32.600 -0.317 0.000 1.387 508 M HN 0.477 nan 8.290 nan 0.000 0.420 509 G N 1.354 109.648 108.800 -0.843 0.000 2.453 509 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.215 509 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.215 509 G C 1.677 176.055 174.900 -0.870 0.000 1.201 509 G CA 0.439 44.523 45.100 -1.693 0.000 0.784 509 G HN 0.520 nan 8.290 nan 0.000 0.545 510 R N -0.630 119.632 120.500 -0.397 0.000 2.437 510 R HA 0.297 4.636 4.340 -0.000 0.000 0.257 510 R C 0.279 176.587 176.300 0.014 0.000 0.927 510 R CA -0.435 55.660 56.100 -0.008 0.000 1.078 510 R CB 0.414 30.845 30.300 0.218 0.000 1.161 510 R HN 0.134 nan 8.270 nan 0.000 0.529 511 R N 2.262 122.724 120.500 -0.063 0.000 3.109 511 R HA -0.121 4.219 4.340 -0.000 0.000 0.241 511 R C -0.663 175.657 176.300 0.032 0.000 0.882 511 R CA 1.190 57.279 56.100 -0.019 0.000 0.604 511 R CB -1.987 28.296 30.300 -0.029 0.000 1.040 511 R HN 0.380 nan 8.270 nan 0.000 0.480 512 T N -0.850 113.740 114.554 0.059 0.000 2.780 512 T HA 0.586 4.936 4.350 -0.000 0.000 0.294 512 T C 0.717 175.454 174.700 0.061 0.000 0.949 512 T CA -0.786 61.369 62.100 0.092 0.000 1.074 512 T CB 1.512 70.464 68.868 0.140 0.000 0.910 512 T HN 0.208 nan 8.240 nan 0.000 0.501 513 L N 2.262 123.515 121.223 0.050 0.000 2.322 513 L HA 0.801 5.141 4.340 -0.000 0.000 0.269 513 L C 0.695 177.582 176.870 0.027 0.000 1.012 513 L CA -1.221 53.636 54.840 0.028 0.000 0.815 513 L CB 2.017 44.083 42.059 0.013 0.000 1.295 513 L HN 0.926 nan 8.230 nan 0.000 0.438 514 G N 2.541 111.345 108.800 0.007 0.000 3.712 514 G HA2 0.528 4.488 3.960 -0.000 0.000 0.327 514 G HA3 0.528 4.488 3.960 -0.000 0.000 0.327 514 G C -0.687 174.193 174.900 -0.034 0.000 1.566 514 G CA -0.190 44.910 45.100 0.000 0.000 0.953 514 G HN 0.339 nan 8.290 nan 0.000 0.488 515 I N 1.879 122.417 120.570 -0.054 0.000 2.353 515 I HA 0.633 4.803 4.170 -0.000 0.000 0.293 515 I C 0.941 176.979 176.117 -0.130 0.000 0.992 515 I CA -0.329 60.877 61.300 -0.157 0.000 1.268 515 I CB 1.901 39.759 38.000 -0.237 0.000 1.387 515 I HN 0.413 nan 8.210 nan 0.000 0.478 516 G N 4.981 113.691 108.800 -0.150 0.000 3.166 516 G HA2 0.732 4.692 3.960 -0.000 0.000 0.267 516 G HA3 0.732 4.692 3.960 -0.000 0.000 0.267 516 G C -0.805 174.062 174.900 -0.055 0.000 1.256 516 G CA -0.397 44.682 45.100 -0.034 0.000 0.859 516 G HN 0.510 nan 8.290 nan 0.000 0.590 517 V N -1.703 118.240 119.914 0.049 0.000 3.166 517 V HA 0.911 5.031 4.120 -0.000 0.000 0.317 517 V C -0.217 175.942 176.094 0.109 0.000 1.136 517 V CA -1.009 61.336 62.300 0.075 0.000 1.035 517 V CB 1.403 33.273 31.823 0.079 0.000 1.110 517 V HN 1.238 nan 8.190 nan 0.000 0.450 518 I N -2.167 118.488 120.570 0.141 0.000 3.006 518 I HA 0.611 4.781 4.170 -0.000 0.000 0.306 518 I C -0.075 176.176 176.117 0.223 0.000 1.250 518 I CA -0.626 60.778 61.300 0.173 0.000 0.996 518 I CB 2.120 40.201 38.000 0.134 0.000 1.261 518 I HN 0.916 nan 8.210 nan 0.000 0.442 519 N N 0.778 119.639 118.700 0.268 0.000 2.882 519 N HA -0.238 4.502 4.740 -0.000 0.000 0.249 519 N C 0.439 176.220 175.510 0.451 0.000 1.079 519 N CA 0.790 54.039 53.050 0.332 0.000 0.800 519 N CB -0.589 38.066 38.487 0.280 0.000 1.124 519 N HN 0.776 nan 8.380 nan 0.000 0.557 520 F N 1.322 121.437 119.950 0.275 0.000 2.069 520 F HA -0.059 4.468 4.527 -0.001 0.000 0.298 520 F C 2.301 178.319 175.800 0.365 0.000 1.113 520 F CA 2.178 60.345 58.000 0.279 0.000 1.214 520 F CB -0.797 38.366 39.000 0.272 0.000 0.978 520 F HN 0.206 nan 8.300 nan 0.000 0.474 521 A N -0.346 122.691 122.820 0.363 0.000 1.892 521 A HA -0.318 4.002 4.320 -0.000 0.000 0.218 521 A C 2.233 179.987 177.584 0.284 0.000 1.188 521 A CA 2.018 54.265 52.037 0.350 0.000 0.631 521 A CB -1.898 17.423 19.000 0.535 0.000 0.822 521 A HN 0.650 nan 8.150 nan 0.000 0.447 522 Y N -1.326 119.147 120.300 0.288 0.000 2.181 522 Y HA -0.260 4.290 4.550 -0.000 0.000 0.288 522 Y C 2.231 178.186 175.900 0.091 0.000 1.146 522 Y CA 2.019 60.231 58.100 0.188 0.000 1.164 522 Y CB -0.673 37.962 38.460 0.292 0.000 0.982 522 Y HN 0.441 nan 8.280 nan 0.000 0.515 523 Y N 0.432 120.758 120.300 0.044 0.000 2.128 523 Y HA -0.286 4.264 4.550 -0.000 0.000 0.284 523 Y C 2.124 177.940 175.900 -0.141 0.000 1.154 523 Y CA 2.110 60.192 58.100 -0.030 0.000 1.149 523 Y CB -0.628 37.897 38.460 0.109 0.000 0.976 523 Y HN 0.171 nan 8.280 nan 0.000 0.505 524 L N -0.210 120.883 121.223 -0.216 0.000 2.127 524 L HA -0.261 4.079 4.340 -0.000 0.000 0.211 524 L C 2.726 179.415 176.870 -0.301 0.000 1.089 524 L CA 1.247 55.869 54.840 -0.362 0.000 0.757 524 L CB -1.031 40.702 42.059 -0.543 0.000 0.899 524 L HN 0.441 nan 8.230 nan 0.000 0.434 525 A N 0.505 123.113 122.820 -0.352 0.000 1.929 525 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 525 A C 2.238 179.554 177.584 -0.447 0.000 1.176 525 A CA 1.195 52.972 52.037 -0.433 0.000 0.628 525 A CB -0.236 18.317 19.000 -0.744 0.000 0.816 525 A HN 0.391 nan 8.150 nan 0.000 0.444 526 K N -0.548 119.523 120.400 -0.548 0.000 2.209 526 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 526 K C 0.929 177.209 176.600 -0.534 0.000 1.048 526 K CA 1.269 57.234 56.287 -0.537 0.000 0.940 526 K CB -0.399 31.747 32.500 -0.591 0.000 0.729 526 K HN 0.651 nan 8.250 nan 0.000 0.451 527 H N 0.247 119.067 119.070 -0.416 0.000 2.529 527 H HA 0.103 4.659 4.556 -0.000 0.000 0.277 527 H C 0.697 175.870 175.328 -0.259 0.000 1.004 527 H CA 0.443 56.284 56.048 -0.345 0.000 1.167 527 H CB 0.472 29.971 29.762 -0.439 0.000 1.445 527 H HN 0.474 nan 8.280 nan 0.000 0.554 528 G N 2.268 110.959 108.800 -0.182 0.000 2.273 528 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.280 528 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.280 528 G C 0.143 174.978 174.900 -0.107 0.000 1.047 528 G CA 0.252 45.266 45.100 -0.143 0.000 0.869 528 G HN 0.254 nan 8.290 nan 0.000 0.502 529 K N -1.057 119.270 120.400 -0.123 0.000 2.245 529 K HA 0.815 5.135 4.320 -0.000 0.000 0.234 529 K C 0.446 176.993 176.600 -0.089 0.000 1.021 529 K CA -0.847 55.377 56.287 -0.104 0.000 0.898 529 K CB 1.780 34.205 32.500 -0.124 0.000 1.163 529 K HN 0.241 nan 8.250 nan 0.000 0.459 530 R N -0.747 119.723 120.500 -0.049 0.000 2.855 530 R HA 0.305 4.644 4.340 -0.000 0.000 0.266 530 R C 0.426 176.772 176.300 0.076 0.000 1.034 530 R CA -0.438 55.688 56.100 0.043 0.000 0.944 530 R CB 0.879 31.219 30.300 0.066 0.000 1.219 530 R HN 0.511 nan 8.270 nan 0.000 0.474 531 Y N -0.751 119.574 120.300 0.041 0.000 2.301 531 Y HA -0.060 4.490 4.550 0.000 0.000 0.295 531 Y C 2.240 178.190 175.900 0.083 0.000 1.119 531 Y CA 1.381 59.534 58.100 0.089 0.000 1.162 531 Y CB 0.209 38.759 38.460 0.150 0.000 1.046 531 Y HN 0.587 nan 8.280 nan 0.000 0.538 532 S N -0.500 115.336 115.700 0.228 0.000 2.522 532 S HA -0.083 4.387 4.470 -0.000 0.000 0.227 532 S C 0.949 175.610 174.600 0.101 0.000 0.986 532 S CA 0.944 59.233 58.200 0.149 0.000 0.929 532 S CB -0.416 62.850 63.200 0.109 0.000 0.769 532 S HN 0.556 nan 8.310 nan 0.000 0.529 533 D N -0.186 120.262 120.400 0.081 0.000 2.379 533 D HA 0.318 4.958 4.640 -0.000 0.000 0.208 533 D C 1.424 177.746 176.300 0.037 0.000 1.065 533 D CA 0.557 54.589 54.000 0.053 0.000 0.848 533 D CB -0.486 40.338 40.800 0.040 0.000 0.949 533 D HN 0.491 nan 8.370 nan 0.000 0.509 534 G N 0.427 109.247 108.800 0.032 0.000 2.175 534 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.244 534 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.244 534 G C 1.219 176.118 174.900 -0.001 0.000 0.982 534 G CA 0.778 45.882 45.100 0.007 0.000 0.641 534 G HN 0.658 nan 8.290 nan 0.000 0.527 535 S N -0.308 115.393 115.700 0.002 0.000 2.447 535 S HA 0.395 4.865 4.470 -0.000 0.000 0.233 535 S C 2.175 176.762 174.600 -0.021 0.000 1.006 535 S CA 1.408 59.602 58.200 -0.010 0.000 0.957 535 S CB -0.012 63.180 63.200 -0.012 0.000 0.773 535 S HN 1.732 nan 8.310 nan 0.000 0.507 536 A N 0.954 123.759 122.820 -0.025 0.000 2.348 536 A HA 0.344 4.664 4.320 -0.000 0.000 0.224 536 A C 1.639 179.241 177.584 0.030 0.000 1.227 536 A CA 0.013 52.036 52.037 -0.022 0.000 0.885 536 A CB -0.347 18.603 19.000 -0.083 0.000 0.933 536 A HN 0.460 nan 8.150 nan 0.000 0.506 537 N N 1.897 120.606 118.700 0.015 0.000 2.007 537 N HA -0.189 4.551 4.740 -0.000 0.000 0.197 537 N C 1.357 176.909 175.510 0.070 0.000 1.050 537 N CA 1.942 55.005 53.050 0.022 0.000 0.856 537 N CB -0.412 38.062 38.487 -0.022 0.000 1.050 537 N HN 0.459 nan 8.380 nan 0.000 0.423 538 N N 0.510 119.237 118.700 0.044 0.000 2.120 538 N HA -0.117 4.623 4.740 -0.000 0.000 0.188 538 N C 1.773 177.358 175.510 0.126 0.000 1.024 538 N CA 0.500 53.588 53.050 0.063 0.000 0.852 538 N CB -0.603 37.891 38.487 0.012 0.000 1.003 538 N HN 0.178 nan 8.380 nan 0.000 0.424 539 L N 1.547 122.826 121.223 0.093 0.000 2.079 539 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 539 L C 1.944 178.952 176.870 0.230 0.000 1.081 539 L CA 1.718 56.623 54.840 0.108 0.000 0.752 539 L CB -1.195 40.870 42.059 0.009 0.000 0.896 539 L HN 0.085 nan 8.230 nan 0.000 0.433 540 T N -1.254 113.462 114.554 0.271 0.000 2.674 540 T HA -0.248 4.102 4.350 -0.000 0.000 0.265 540 T C 1.829 176.743 174.700 0.357 0.000 1.039 540 T CA 1.574 63.904 62.100 0.383 0.000 1.150 540 T CB -0.574 68.462 68.868 0.281 0.000 0.864 540 T HN 0.512 nan 8.240 nan 0.000 0.427 541 H N 1.621 120.798 119.070 0.178 0.000 2.321 541 H HA -0.087 4.469 4.556 -0.000 0.000 0.295 541 H C 2.431 177.817 175.328 0.097 0.000 1.102 541 H CA 1.925 58.078 56.048 0.175 0.000 1.266 541 H CB -0.250 29.580 29.762 0.113 0.000 1.363 541 H HN 0.263 nan 8.280 nan 0.000 0.492 542 K N -0.414 120.187 120.400 0.334 0.000 2.063 542 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 542 K C 2.006 178.688 176.600 0.136 0.000 1.048 542 K CA 1.859 58.312 56.287 0.276 0.000 0.928 542 K CB 0.057 32.708 32.500 0.252 0.000 0.713 542 K HN 0.327 nan 8.250 nan 0.000 0.442 543 T N 0.051 114.672 114.554 0.112 0.000 2.896 543 T HA -0.038 4.312 4.350 -0.000 0.000 0.263 543 T C 1.508 176.014 174.700 -0.323 0.000 1.050 543 T CA 0.992 63.056 62.100 -0.061 0.000 1.140 543 T CB -0.179 68.671 68.868 -0.030 0.000 0.877 543 T HN 0.130 nan 8.240 nan 0.000 0.457 544 F N 1.228 121.055 119.950 -0.204 0.000 2.416 544 F HA 0.191 4.718 4.527 -0.000 0.000 0.296 544 F C 2.476 177.866 175.800 -0.684 0.000 1.099 544 F CA 0.345 58.177 58.000 -0.279 0.000 1.427 544 F CB -0.092 38.844 39.000 -0.107 0.000 1.079 544 F HN 0.143 nan 8.300 nan 0.000 0.536 545 E N 0.826 120.381 120.200 -1.073 0.000 2.077 545 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 545 E C 2.342 178.750 176.600 -0.320 0.000 0.989 545 E CA 1.152 56.883 56.400 -1.116 0.000 0.800 545 E CB -0.124 29.167 29.700 -0.681 0.000 0.746 545 E HN 0.309 nan 8.360 nan 0.000 0.452 546 A N 1.373 124.055 122.820 -0.229 0.000 1.865 546 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 546 A C 2.219 179.650 177.584 -0.255 0.000 1.191 546 A CA 1.572 53.421 52.037 -0.314 0.000 0.623 546 A CB -0.768 18.205 19.000 -0.046 0.000 0.826 546 A HN 0.334 nan 8.150 nan 0.000 0.444 547 I N -0.853 119.591 120.570 -0.211 0.000 2.118 547 I HA -0.343 3.827 4.170 -0.000 0.000 0.241 547 I C 2.818 178.940 176.117 0.009 0.000 1.070 547 I CA 2.069 63.305 61.300 -0.107 0.000 1.327 547 I CB -0.310 37.609 38.000 -0.135 0.000 1.034 547 I HN 0.388 nan 8.210 nan 0.000 0.405 548 Q N 0.031 119.865 119.800 0.057 0.000 2.084 548 Q HA -0.257 4.083 4.340 -0.000 0.000 0.202 548 Q C 2.079 178.122 176.000 0.072 0.000 0.978 548 Q CA 1.869 57.795 55.803 0.206 0.000 0.844 548 Q CB -0.581 28.453 28.738 0.494 0.000 0.898 548 Q HN 0.589 nan 8.270 nan 0.000 0.426 549 Y N -0.522 119.600 120.300 -0.296 0.000 2.089 549 Y HA -0.307 4.243 4.550 -0.000 0.000 0.282 549 Y C 1.648 177.185 175.900 -0.606 0.000 1.139 549 Y CA 2.065 59.683 58.100 -0.804 0.000 1.123 549 Y CB -0.605 37.073 38.460 -1.304 0.000 0.980 549 Y HN 0.178 nan 8.280 nan 0.000 0.493 550 Y N 0.269 120.342 120.300 -0.379 0.000 2.207 550 Y HA -0.255 4.295 4.550 -0.000 0.000 0.287 550 Y C 2.441 178.180 175.900 -0.268 0.000 1.156 550 Y CA 1.494 59.369 58.100 -0.376 0.000 1.182 550 Y CB -0.994 37.310 38.460 -0.260 0.000 0.979 550 Y HN 0.199 nan 8.280 nan 0.000 0.521 551 L N -1.023 120.196 121.223 -0.006 0.000 2.017 551 L HA -0.243 4.096 4.340 -0.000 0.000 0.208 551 L C 2.280 179.105 176.870 -0.075 0.000 1.073 551 L CA 1.205 56.064 54.840 0.032 0.000 0.745 551 L CB -0.679 41.445 42.059 0.109 0.000 0.894 551 L HN 0.229 nan 8.230 nan 0.000 0.432 552 L N -0.282 120.846 121.223 -0.158 0.000 2.056 552 L HA -0.234 4.106 4.340 -0.000 0.000 0.207 552 L C 2.677 179.378 176.870 -0.281 0.000 1.078 552 L CA 1.330 56.036 54.840 -0.224 0.000 0.749 552 L CB -0.474 41.458 42.059 -0.212 0.000 0.901 552 L HN 0.239 nan 8.230 nan 0.000 0.433 553 K N 0.524 120.670 120.400 -0.423 0.000 2.026 553 K HA -0.201 4.118 4.320 -0.000 0.000 0.208 553 K C 2.152 178.640 176.600 -0.187 0.000 1.048 553 K CA 1.510 57.575 56.287 -0.371 0.000 0.929 553 K CB -0.180 31.996 32.500 -0.540 0.000 0.713 553 K HN 0.230 nan 8.250 nan 0.000 0.439 554 A N 0.339 123.088 122.820 -0.119 0.000 1.908 554 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 554 A C 2.258 179.807 177.584 -0.058 0.000 1.181 554 A CA 2.180 54.185 52.037 -0.053 0.000 0.627 554 A CB -0.975 18.026 19.000 0.002 0.000 0.818 554 A HN 0.447 nan 8.150 nan 0.000 0.445 555 S N -0.498 115.152 115.700 -0.083 0.000 2.368 555 S HA -0.174 4.296 4.470 -0.000 0.000 0.224 555 S C 2.091 176.618 174.600 -0.122 0.000 1.029 555 S CA 1.349 59.494 58.200 -0.093 0.000 0.988 555 S CB -0.566 62.566 63.200 -0.114 0.000 0.838 555 S HN 0.757 nan 8.310 nan 0.000 0.462 556 N N 0.186 118.798 118.700 -0.146 0.000 2.084 556 N HA -0.146 4.594 4.740 -0.000 0.000 0.190 556 N C 1.519 176.953 175.510 -0.126 0.000 1.030 556 N CA 1.251 54.216 53.050 -0.143 0.000 0.849 556 N CB -0.141 38.265 38.487 -0.136 0.000 1.012 556 N HN 0.269 nan 8.380 nan 0.000 0.423 557 E N 1.211 121.344 120.200 -0.112 0.000 2.070 557 E HA -0.197 4.152 4.350 -0.000 0.000 0.197 557 E C 1.977 178.531 176.600 -0.076 0.000 1.004 557 E CA 0.650 56.994 56.400 -0.093 0.000 0.805 557 E CB -0.644 29.022 29.700 -0.057 0.000 0.744 557 E HN 0.357 nan 8.360 nan 0.000 0.451 558 L N 0.482 121.669 121.223 -0.059 0.000 2.083 558 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 558 L C 2.114 178.938 176.870 -0.076 0.000 1.083 558 L CA 1.989 56.800 54.840 -0.048 0.000 0.752 558 L CB -0.765 41.273 42.059 -0.035 0.000 0.899 558 L HN 0.072 nan 8.230 nan 0.000 0.433 559 A N -0.634 122.124 122.820 -0.104 0.000 1.877 559 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 559 A C 2.305 179.835 177.584 -0.090 0.000 1.186 559 A CA 1.838 53.804 52.037 -0.117 0.000 0.620 559 A CB -0.506 18.384 19.000 -0.182 0.000 0.822 559 A HN 0.462 nan 8.150 nan 0.000 0.443 560 K N -0.631 119.707 120.400 -0.104 0.000 2.034 560 K HA -0.260 4.060 4.320 -0.000 0.000 0.214 560 K C 2.161 178.712 176.600 -0.083 0.000 1.051 560 K CA 1.937 58.151 56.287 -0.122 0.000 0.931 560 K CB -0.243 32.108 32.500 -0.249 0.000 0.715 560 K HN 0.722 nan 8.250 nan 0.000 0.446 561 E N 0.588 120.742 120.200 -0.077 0.000 2.031 561 E HA -0.197 4.152 4.350 -0.000 0.000 0.193 561 E C 1.469 178.028 176.600 -0.067 0.000 0.994 561 E CA 1.360 57.722 56.400 -0.063 0.000 0.800 561 E CB 0.272 29.942 29.700 -0.049 0.000 0.752 561 E HN 0.346 nan 8.360 nan 0.000 0.447 562 Q N -1.054 118.703 119.800 -0.073 0.000 2.164 562 Q HA 0.275 4.615 4.340 -0.000 0.000 0.226 562 Q C -0.115 175.846 176.000 -0.064 0.000 0.813 562 Q CA 0.247 56.004 55.803 -0.076 0.000 0.978 562 Q CB 2.180 30.861 28.738 -0.095 0.000 1.149 562 Q HN 0.263 nan 8.270 nan 0.000 0.489 563 G N 1.594 110.356 108.800 -0.063 0.000 2.788 563 G HA2 0.049 4.009 3.960 -0.000 0.000 0.686 563 G HA3 0.049 4.009 3.960 -0.000 0.000 0.686 563 G C -0.399 174.454 174.900 -0.078 0.000 1.147 563 G CA -0.572 44.493 45.100 -0.058 0.000 0.755 563 G HN 0.344 nan 8.290 nan 0.000 0.634 564 A N 1.248 124.006 122.820 -0.105 0.000 2.448 564 A HA 0.566 4.886 4.320 -0.000 0.000 0.239 564 A C 1.675 179.237 177.584 -0.037 0.000 1.080 564 A CA 0.602 52.551 52.037 -0.147 0.000 0.779 564 A CB -0.328 18.508 19.000 -0.272 0.000 1.026 564 A HN 2.524 nan 8.150 nan 0.000 0.499 565 C N 0.731 120.036 119.300 0.007 0.000 2.657 565 C HA 0.327 4.787 4.460 -0.000 0.000 0.420 565 C C -1.035 174.008 174.990 0.088 0.000 1.323 565 C CA -0.974 58.060 59.018 0.027 0.000 1.894 565 C CB -0.463 27.308 27.740 0.053 0.000 2.681 565 C HN 0.707 nan 8.230 nan 0.000 0.613 566 P HA -0.146 nan 4.420 nan 0.000 0.217 566 P C 0.663 178.172 177.300 0.348 0.000 1.158 566 P CA 1.972 65.128 63.100 0.093 0.000 0.887 566 P CB -0.093 31.554 31.700 -0.089 0.000 0.792 567 W N -1.926 119.445 121.300 0.119 0.000 3.213 567 W HA 0.327 4.986 4.660 -0.001 0.000 0.430 567 W C 1.322 177.941 176.519 0.166 0.000 0.975 567 W CA -1.411 56.008 57.345 0.123 0.000 2.015 567 W CB -1.883 27.637 29.460 0.100 0.000 1.047 567 W HN -0.051 nan 8.180 nan 0.000 0.797 568 F N 2.907 122.995 119.950 0.231 0.000 2.126 568 F HA -0.303 4.224 4.527 -0.000 0.000 0.299 568 F C 1.907 177.801 175.800 0.158 0.000 1.096 568 F CA 2.410 60.506 58.000 0.160 0.000 1.255 568 F CB -0.508 38.550 39.000 0.097 0.000 0.997 568 F HN 0.108 nan 8.300 nan 0.000 0.479 569 N N 0.121 118.882 118.700 0.102 0.000 2.417 569 N HA -0.245 4.494 4.740 -0.000 0.000 0.187 569 N C 1.030 176.511 175.510 -0.048 0.000 1.027 569 N CA 1.616 54.658 53.050 -0.012 0.000 0.891 569 N CB -0.816 37.719 38.487 0.079 0.000 0.956 569 N HN 0.573 nan 8.380 nan 0.000 0.442 570 E N 0.059 120.274 120.200 0.026 0.000 2.489 570 E HA -0.026 4.324 4.350 -0.000 0.000 0.193 570 E C 0.208 176.838 176.600 0.050 0.000 1.057 570 E CA 0.444 56.876 56.400 0.054 0.000 0.866 570 E CB -0.054 29.714 29.700 0.113 0.000 0.916 570 E HN 0.538 nan 8.360 nan 0.000 0.500 571 T N -0.625 113.856 114.554 -0.122 0.000 2.913 571 T HA 0.111 4.461 4.350 -0.000 0.000 0.287 571 T C 1.488 176.041 174.700 -0.244 0.000 1.008 571 T CA -0.185 61.780 62.100 -0.225 0.000 1.067 571 T CB 1.613 70.287 68.868 -0.323 0.000 0.996 571 T HN 0.026 nan 8.240 nan 0.000 0.513 572 T N -0.778 113.630 114.554 -0.243 0.000 2.962 572 T HA -0.126 4.224 4.350 -0.000 0.000 0.270 572 T C 1.403 175.973 174.700 -0.217 0.000 1.088 572 T CA 0.723 62.691 62.100 -0.219 0.000 1.127 572 T CB -0.877 67.840 68.868 -0.252 0.000 0.883 572 T HN 0.630 nan 8.240 nan 0.000 0.493 573 Y N 2.442 122.627 120.300 -0.191 0.000 2.081 573 Y HA -0.012 4.538 4.550 -0.000 0.000 0.280 573 Y C 3.096 178.926 175.900 -0.116 0.000 1.163 573 Y CA 0.867 58.917 58.100 -0.083 0.000 1.135 573 Y CB -1.218 37.250 38.460 0.013 0.000 0.970 573 Y HN 0.332 nan 8.280 nan 0.000 0.498 574 A N -0.108 122.479 122.820 -0.389 0.000 1.986 574 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 574 A C 1.926 179.501 177.584 -0.015 0.000 1.171 574 A CA 1.815 53.661 52.037 -0.318 0.000 0.640 574 A CB -0.568 18.031 19.000 -0.668 0.000 0.811 574 A HN 0.450 nan 8.150 nan 0.000 0.451 575 K N -1.197 119.180 120.400 -0.039 0.000 2.469 575 K HA 0.262 4.582 4.320 -0.000 0.000 0.201 575 K C 0.843 177.462 176.600 0.033 0.000 1.028 575 K CA 0.383 56.670 56.287 0.000 0.000 1.170 575 K CB -0.191 32.292 32.500 -0.027 0.000 0.874 575 K HN 0.630 nan 8.250 nan 0.000 0.507 576 G N 1.903 110.751 108.800 0.079 0.000 2.160 576 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.251 576 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.251 576 G C 0.053 175.001 174.900 0.079 0.000 1.008 576 G CA -0.141 45.023 45.100 0.106 0.000 0.724 576 G HN 0.300 nan 8.290 nan 0.000 0.514 577 I N 0.585 121.169 120.570 0.023 0.000 2.331 577 I HA 0.477 4.646 4.170 -0.000 0.000 0.292 577 I C 0.772 176.846 176.117 -0.071 0.000 0.998 577 I CA -0.570 60.709 61.300 -0.035 0.000 1.267 577 I CB 1.151 39.095 38.000 -0.095 0.000 1.386 577 I HN -0.032 nan 8.210 nan 0.000 0.476 578 L N 7.653 128.874 121.223 -0.003 0.000 2.313 578 L HA 0.442 4.782 4.340 -0.000 0.000 0.268 578 L C -1.448 175.407 176.870 -0.025 0.000 1.010 578 L CA -1.640 53.228 54.840 0.047 0.000 0.814 578 L CB 1.795 44.004 42.059 0.249 0.000 1.304 578 L HN 0.300 nan 8.230 nan 0.000 0.441 579 P HA -0.183 nan 4.420 nan 0.000 0.216 579 P C 1.448 178.753 177.300 0.009 0.000 1.150 579 P CA 1.534 64.658 63.100 0.039 0.000 0.843 579 P CB -0.073 31.675 31.700 0.079 0.000 0.787 580 I N -3.314 117.148 120.570 -0.179 0.000 3.083 580 I HA -0.060 4.110 4.170 -0.000 0.000 0.273 580 I C 0.744 176.871 176.117 0.017 0.000 1.297 580 I CA 1.425 62.612 61.300 -0.187 0.000 1.452 580 I CB -0.686 37.027 38.000 -0.478 0.000 1.078 580 I HN -0.186 nan 8.210 nan 0.000 0.484 581 D N 1.416 121.797 120.400 -0.031 0.000 2.355 581 D HA -0.009 4.631 4.640 -0.000 0.000 0.206 581 D C 1.754 177.947 176.300 -0.179 0.000 1.010 581 D CA 1.463 55.410 54.000 -0.088 0.000 0.875 581 D CB 0.442 41.210 40.800 -0.053 0.000 0.966 581 D HN 0.553 nan 8.370 nan 0.000 0.512 582 T N -1.790 112.689 114.554 -0.125 0.000 3.145 582 T HA 0.101 4.451 4.350 -0.000 0.000 0.281 582 T C 0.731 175.223 174.700 -0.347 0.000 1.003 582 T CA -0.717 61.291 62.100 -0.152 0.000 0.901 582 T CB -0.650 68.231 68.868 0.023 0.000 1.112 582 T HN 0.085 nan 8.240 nan 0.000 0.535 583 Y N 1.372 121.321 120.300 -0.585 0.000 2.335 583 Y HA 0.587 5.137 4.550 -0.000 0.000 0.348 583 Y C 0.437 175.975 175.900 -0.604 0.000 1.280 583 Y CA -1.753 55.705 58.100 -1.070 0.000 1.504 583 Y CB 0.424 38.404 38.460 -0.800 0.000 1.366 583 Y HN -0.108 nan 8.280 nan 0.000 0.621 584 K N 2.712 122.910 120.400 -0.338 0.000 2.349 584 K HA 0.063 4.383 4.320 -0.000 0.000 0.289 584 K C 0.962 177.509 176.600 -0.088 0.000 1.064 584 K CA -0.422 55.701 56.287 -0.273 0.000 0.947 584 K CB 0.611 32.905 32.500 -0.344 0.000 1.007 584 K HN 0.726 nan 8.250 nan 0.000 0.478 585 K N 3.517 123.793 120.400 -0.207 0.000 2.052 585 K HA -0.263 4.057 4.320 -0.000 0.000 0.215 585 K C 0.360 176.974 176.600 0.023 0.000 1.053 585 K CA 2.411 58.622 56.287 -0.126 0.000 0.934 585 K CB -0.895 31.511 32.500 -0.156 0.000 0.717 585 K HN 0.720 nan 8.250 nan 0.000 0.450 586 D N 1.271 121.678 120.400 0.011 0.000 2.271 586 D HA -0.102 4.538 4.640 -0.000 0.000 0.207 586 D C 1.980 178.409 176.300 0.215 0.000 0.983 586 D CA 1.120 55.163 54.000 0.071 0.000 0.878 586 D CB -0.221 40.558 40.800 -0.035 0.000 0.920 586 D HN 0.191 nan 8.370 nan 0.000 0.479 587 L N 0.651 122.008 121.223 0.224 0.000 2.129 587 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 587 L C 1.679 178.605 176.870 0.094 0.000 1.087 587 L CA 1.032 55.965 54.840 0.155 0.000 0.757 587 L CB -0.427 41.654 42.059 0.036 0.000 0.896 587 L HN 0.047 nan 8.230 nan 0.000 0.434 588 D N -0.415 120.059 120.400 0.122 0.000 2.190 588 D HA -0.187 4.452 4.640 -0.000 0.000 0.200 588 D C 2.203 178.532 176.300 0.048 0.000 0.992 588 D CA 1.969 56.014 54.000 0.075 0.000 0.854 588 D CB -0.297 40.556 40.800 0.088 0.000 0.936 588 D HN 0.425 nan 8.370 nan 0.000 0.462 589 T N -1.152 113.450 114.554 0.079 0.000 3.113 589 T HA -0.051 4.299 4.350 -0.000 0.000 0.263 589 T C 1.649 176.385 174.700 0.059 0.000 1.143 589 T CA 0.342 62.486 62.100 0.073 0.000 1.090 589 T CB -0.510 68.421 68.868 0.105 0.000 0.922 589 T HN 0.430 nan 8.240 nan 0.000 0.521 590 I N -2.125 118.462 120.570 0.029 0.000 3.947 590 I HA 0.793 4.963 4.170 -0.000 0.000 0.327 590 I C 0.060 176.143 176.117 -0.056 0.000 1.519 590 I CA -1.179 60.100 61.300 -0.036 0.000 1.122 590 I CB 0.301 38.206 38.000 -0.158 0.000 1.146 590 I HN 0.217 nan 8.210 nan 0.000 0.442 591 A N 2.441 125.233 122.820 -0.047 0.000 2.534 591 A HA 0.343 4.663 4.320 -0.000 0.000 0.300 591 A C -0.024 177.485 177.584 -0.124 0.000 1.054 591 A CA -0.662 51.332 52.037 -0.072 0.000 0.858 591 A CB 0.486 19.461 19.000 -0.041 0.000 1.333 591 A HN 0.308 nan 8.150 nan 0.000 0.391 592 N N 1.535 120.161 118.700 -0.123 0.000 2.325 592 N HA 0.001 4.740 4.740 -0.000 0.000 0.182 592 N C 0.279 175.662 175.510 -0.212 0.000 1.088 592 N CA 0.083 53.051 53.050 -0.136 0.000 0.879 592 N CB 0.251 38.692 38.487 -0.077 0.000 0.983 592 N HN 0.738 nan 8.380 nan 0.000 0.471 593 E N 3.633 123.673 120.200 -0.267 0.000 2.765 593 E HA 0.004 4.354 4.350 -0.000 0.000 0.256 593 E C -2.196 174.146 176.600 -0.429 0.000 0.935 593 E CA -0.888 55.337 56.400 -0.291 0.000 0.954 593 E CB 0.521 30.069 29.700 -0.253 0.000 0.908 593 E HN 0.276 nan 8.360 nan 0.000 0.500 594 P HA 0.109 nan 4.420 nan 0.000 0.282 594 P C -0.600 176.432 177.300 -0.448 0.000 1.249 594 P CA -0.346 62.579 63.100 -0.292 0.000 0.806 594 P CB 0.663 32.253 31.700 -0.184 0.000 0.984 595 L N 3.820 124.925 121.223 -0.195 0.000 2.513 595 L HA 0.015 4.355 4.340 -0.000 0.000 0.272 595 L C 1.740 178.478 176.870 -0.219 0.000 1.187 595 L CA 0.050 54.842 54.840 -0.080 0.000 0.895 595 L CB -0.217 41.907 42.059 0.109 0.000 1.147 595 L HN 0.469 nan 8.230 nan 0.000 0.483 596 H N 2.686 121.762 119.070 0.010 0.000 2.551 596 H HA 0.163 4.719 4.556 -0.000 0.000 0.271 596 H C -0.574 174.386 175.328 -0.613 0.000 0.984 596 H CA 0.185 56.046 56.048 -0.313 0.000 1.164 596 H CB 0.121 29.595 29.762 -0.479 0.000 1.437 596 H HN 0.408 nan 8.280 nan 0.000 0.550 597 Y N 0.256 120.525 120.300 -0.051 0.000 2.524 597 Y HA 0.181 4.731 4.550 -0.000 0.000 0.344 597 Y C 0.404 176.141 175.900 -0.272 0.000 1.012 597 Y CA -1.366 56.460 58.100 -0.456 0.000 1.068 597 Y CB 1.268 39.002 38.460 -1.210 0.000 1.249 597 Y HN -0.135 nan 8.280 nan 0.000 0.468 598 D N 1.604 121.899 120.400 -0.175 0.000 2.455 598 D HA 0.012 4.652 4.640 -0.000 0.000 0.234 598 D C -0.081 176.298 176.300 0.131 0.000 1.224 598 D CA 0.190 54.218 54.000 0.047 0.000 0.999 598 D CB 0.037 40.885 40.800 0.081 0.000 1.072 598 D HN 0.529 nan 8.370 nan 0.000 0.514 599 W N 1.696 123.093 121.300 0.162 0.000 2.476 599 W HA 0.000 4.660 4.660 -0.000 0.000 0.281 599 W C 2.053 178.680 176.519 0.181 0.000 1.230 599 W CA -0.051 57.428 57.345 0.223 0.000 1.287 599 W CB 0.311 29.891 29.460 0.201 0.000 1.108 599 W HN 0.341 nan 8.180 nan 0.000 0.567 600 E N 0.175 120.570 120.200 0.325 0.000 2.107 600 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 600 E C 2.238 178.942 176.600 0.174 0.000 0.982 600 E CA 1.280 57.813 56.400 0.221 0.000 0.809 600 E CB -0.909 28.893 29.700 0.170 0.000 0.756 600 E HN 0.231 nan 8.360 nan 0.000 0.459 601 A N 1.887 124.800 122.820 0.156 0.000 1.851 601 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 601 A C 2.330 179.990 177.584 0.127 0.000 1.195 601 A CA 1.638 53.751 52.037 0.127 0.000 0.622 601 A CB -0.903 18.168 19.000 0.118 0.000 0.831 601 A HN 0.251 nan 8.150 nan 0.000 0.444 602 L N -0.185 121.118 121.223 0.133 0.000 2.042 602 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 602 L C 2.536 179.491 176.870 0.141 0.000 1.076 602 L CA 2.518 57.408 54.840 0.083 0.000 0.749 602 L CB -0.504 41.553 42.059 -0.004 0.000 0.893 602 L HN 0.493 nan 8.230 nan 0.000 0.432 603 R N -0.621 120.004 120.500 0.208 0.000 2.094 603 R HA -0.206 4.134 4.340 -0.000 0.000 0.239 603 R C 2.142 178.542 176.300 0.166 0.000 1.137 603 R CA 1.951 58.182 56.100 0.218 0.000 0.943 603 R CB -0.271 30.163 30.300 0.222 0.000 0.850 603 R HN 0.453 nan 8.270 nan 0.000 0.433 604 E N 0.059 120.340 120.200 0.135 0.000 2.051 604 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 604 E C 1.992 178.652 176.600 0.101 0.000 0.991 604 E CA 1.135 57.597 56.400 0.104 0.000 0.799 604 E CB -0.484 29.269 29.700 0.088 0.000 0.748 604 E HN 0.234 nan 8.360 nan 0.000 0.449 605 S N 0.370 116.144 115.700 0.123 0.000 2.383 605 S HA -0.122 4.348 4.470 -0.000 0.000 0.229 605 S C 2.052 176.745 174.600 0.155 0.000 1.030 605 S CA 0.766 59.071 58.200 0.176 0.000 1.002 605 S CB -0.175 63.101 63.200 0.126 0.000 0.829 605 S HN 0.157 nan 8.310 nan 0.000 0.467 606 I N 0.862 121.503 120.570 0.118 0.000 2.133 606 I HA -0.173 3.997 4.170 -0.000 0.000 0.238 606 I C 2.689 178.905 176.117 0.164 0.000 1.074 606 I CA 1.190 62.567 61.300 0.128 0.000 1.342 606 I CB -0.362 37.763 38.000 0.208 0.000 1.053 606 I HN 0.198 nan 8.210 nan 0.000 0.404 607 K N 0.287 120.794 120.400 0.178 0.000 2.059 607 K HA -0.224 4.095 4.320 -0.000 0.000 0.212 607 K C 2.144 178.784 176.600 0.068 0.000 1.050 607 K CA 2.366 58.750 56.287 0.160 0.000 0.927 607 K CB -0.327 32.242 32.500 0.114 0.000 0.714 607 K HN 0.359 nan 8.250 nan 0.000 0.447 608 T N -0.070 114.454 114.554 -0.050 0.000 2.668 608 T HA -0.096 4.254 4.350 -0.000 0.000 0.262 608 T C 1.485 175.945 174.700 -0.399 0.000 1.045 608 T CA 1.113 63.054 62.100 -0.266 0.000 1.152 608 T CB -0.187 68.394 68.868 -0.479 0.000 0.864 608 T HN 0.361 nan 8.240 nan 0.000 0.419 609 H N 0.195 119.236 119.070 -0.048 0.000 2.622 609 H HA 0.412 4.968 4.556 -0.000 0.000 0.269 609 H C 1.545 176.723 175.328 -0.249 0.000 0.977 609 H CA 0.391 56.373 56.048 -0.109 0.000 1.179 609 H CB -0.010 29.695 29.762 -0.096 0.000 1.458 609 H HN 0.519 nan 8.280 nan 0.000 0.531 610 G N 1.419 110.051 108.800 -0.280 0.000 2.752 610 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.234 610 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.234 610 G C -0.650 173.740 174.900 -0.850 0.000 1.367 610 G CA -0.414 44.088 45.100 -0.997 0.000 0.879 610 G HN 0.216 nan 8.290 nan 0.000 0.563 611 L N -0.190 120.278 121.223 -1.258 0.000 2.334 611 L HA 0.589 4.929 4.340 -0.000 0.000 0.276 611 L C 1.568 178.266 176.870 -0.287 0.000 1.014 611 L CA -0.843 53.728 54.840 -0.448 0.000 0.815 611 L CB 1.856 43.826 42.059 -0.148 0.000 1.268 611 L HN 0.760 nan 8.230 nan 0.000 0.428 612 R N 2.112 122.510 120.500 -0.171 0.000 2.092 612 R HA -0.024 4.316 4.340 -0.000 0.000 0.231 612 R C -0.140 176.134 176.300 -0.043 0.000 1.119 612 R CA 1.334 57.374 56.100 -0.101 0.000 0.970 612 R CB -0.037 30.216 30.300 -0.079 0.000 0.864 612 R HN 0.694 nan 8.270 nan 0.000 0.440 613 N N -0.859 117.821 118.700 -0.034 0.000 2.372 613 N HA 0.200 4.940 4.740 -0.000 0.000 0.291 613 N C -0.412 175.121 175.510 0.038 0.000 1.024 613 N CA -0.308 52.746 53.050 0.007 0.000 0.873 613 N CB 2.181 40.663 38.487 -0.009 0.000 1.206 613 N HN -0.109 nan 8.380 nan 0.000 0.486 614 S N -0.196 115.564 115.700 0.101 0.000 2.453 614 S HA -0.032 4.438 4.470 -0.000 0.000 0.231 614 S C 0.719 175.328 174.600 0.015 0.000 1.005 614 S CA 0.704 58.962 58.200 0.097 0.000 0.949 614 S CB -0.141 63.163 63.200 0.174 0.000 0.774 614 S HN 0.826 nan 8.310 nan 0.000 0.510 615 T N -1.581 113.008 114.554 0.058 0.000 2.933 615 T HA 0.697 5.046 4.350 -0.000 0.000 0.305 615 T C 0.039 174.771 174.700 0.053 0.000 1.092 615 T CA -0.747 61.397 62.100 0.074 0.000 1.008 615 T CB 1.608 70.555 68.868 0.131 0.000 1.102 615 T HN -0.083 nan 8.240 nan 0.000 0.469 616 L N 1.747 123.003 121.223 0.055 0.000 2.766 616 L HA 0.381 4.721 4.340 -0.000 0.000 0.241 616 L C 1.035 177.937 176.870 0.053 0.000 1.080 616 L CA 0.091 54.957 54.840 0.043 0.000 0.909 616 L CB 0.584 42.661 42.059 0.030 0.000 1.277 616 L HN 0.920 nan 8.230 nan 0.000 0.510 617 S N -0.138 115.610 115.700 0.080 0.000 2.532 617 S HA 0.890 5.360 4.470 -0.000 0.000 0.301 617 S C -0.472 174.166 174.600 0.062 0.000 1.083 617 S CA -0.265 57.984 58.200 0.081 0.000 1.025 617 S CB 2.476 65.763 63.200 0.144 0.000 1.056 617 S HN 0.121 nan 8.310 nan 0.000 0.494 618 A N 2.686 125.532 122.820 0.042 0.000 2.500 618 A HA 0.542 4.862 4.320 -0.000 0.000 0.291 618 A C -1.057 176.535 177.584 0.014 0.000 1.048 618 A CA -0.771 51.278 52.037 0.020 0.000 0.791 618 A CB 0.698 19.700 19.000 0.003 0.000 1.309 618 A HN 0.882 nan 8.150 nan 0.000 0.397 619 L N 4.728 125.958 121.223 0.011 0.000 2.302 619 L HA 0.383 4.723 4.340 -0.000 0.000 0.285 619 L C 0.467 177.334 176.870 -0.006 0.000 1.090 619 L CA -0.523 54.326 54.840 0.016 0.000 0.866 619 L CB 0.507 42.570 42.059 0.006 0.000 1.244 619 L HN 0.801 nan 8.230 nan 0.000 0.435 620 M N 3.238 122.836 119.600 -0.002 0.000 2.368 620 M HA 0.670 5.150 4.480 -0.000 0.000 0.311 620 M C -2.669 173.654 176.300 0.038 0.000 1.168 620 M CA -2.256 53.036 55.300 -0.013 0.000 1.044 620 M CB -0.111 32.484 32.600 -0.008 0.000 1.506 620 M HN 0.036 nan 8.290 nan 0.000 0.475 621 P HA 0.431 nan 4.420 nan 0.000 0.276 621 P C -1.154 176.209 177.300 0.105 0.000 1.261 621 P CA -0.375 62.795 63.100 0.117 0.000 0.800 621 P CB 0.875 32.680 31.700 0.175 0.000 1.066 622 S N -1.986 113.784 115.700 0.117 0.000 2.481 622 S HA 0.211 4.680 4.470 -0.000 0.000 0.262 622 S C 0.291 174.950 174.600 0.099 0.000 1.061 622 S CA -0.560 57.702 58.200 0.103 0.000 1.039 622 S CB 1.007 64.262 63.200 0.092 0.000 1.170 622 S HN 0.420 nan 8.310 nan 0.000 0.437 623 E N 3.254 123.510 120.200 0.094 0.000 2.030 623 E HA 0.016 4.365 4.350 -0.000 0.000 0.189 623 E C 1.631 178.264 176.600 0.054 0.000 0.974 623 E CA 2.000 58.444 56.400 0.073 0.000 0.807 623 E CB -0.353 29.391 29.700 0.073 0.000 0.771 623 E HN 0.747 nan 8.360 nan 0.000 0.451 624 T N 0.383 114.974 114.554 0.063 0.000 2.614 624 T HA -0.178 4.172 4.350 -0.000 0.000 0.263 624 T C 2.064 176.785 174.700 0.035 0.000 1.055 624 T CA 1.833 63.959 62.100 0.044 0.000 1.162 624 T CB -0.711 68.215 68.868 0.097 0.000 0.863 624 T HN 0.234 nan 8.240 nan 0.000 0.414 625 S N 2.293 118.052 115.700 0.098 0.000 2.372 625 S HA -0.184 4.286 4.470 -0.000 0.000 0.227 625 S C 2.400 177.041 174.600 0.068 0.000 1.044 625 S CA 1.560 59.833 58.200 0.122 0.000 1.050 625 S CB -0.921 62.366 63.200 0.144 0.000 0.901 625 S HN 0.411 nan 8.310 nan 0.000 0.447 626 S N 1.799 117.536 115.700 0.060 0.000 2.359 626 S HA -0.175 4.295 4.470 -0.000 0.000 0.224 626 S C 2.160 176.760 174.600 -0.000 0.000 1.035 626 S CA 1.321 59.549 58.200 0.046 0.000 1.018 626 S CB -0.492 62.749 63.200 0.068 0.000 0.876 626 S HN 0.540 nan 8.310 nan 0.000 0.448 627 Q N 0.321 120.113 119.800 -0.013 0.000 2.061 627 Q HA -0.103 4.237 4.340 -0.000 0.000 0.204 627 Q C 2.205 178.152 176.000 -0.088 0.000 0.984 627 Q CA 1.238 57.011 55.803 -0.050 0.000 0.846 627 Q CB -0.367 28.335 28.738 -0.060 0.000 0.902 627 Q HN 0.502 nan 8.270 nan 0.000 0.421 628 I N 0.522 121.030 120.570 -0.104 0.000 2.194 628 I HA -0.229 3.941 4.170 -0.000 0.000 0.246 628 I C 1.591 177.608 176.117 -0.167 0.000 1.093 628 I CA 1.275 62.514 61.300 -0.101 0.000 1.355 628 I CB -0.628 37.323 38.000 -0.082 0.000 1.046 628 I HN 0.081 nan 8.210 nan 0.000 0.413 629 S N 0.814 116.365 115.700 -0.249 0.000 2.634 629 S HA 0.027 4.497 4.470 -0.000 0.000 0.221 629 S C 0.589 174.977 174.600 -0.352 0.000 0.952 629 S CA -0.221 57.640 58.200 -0.566 0.000 0.930 629 S CB -0.650 62.405 63.200 -0.241 0.000 0.780 629 S HN 0.499 nan 8.310 nan 0.000 0.498 630 N N 1.914 120.497 118.700 -0.195 0.000 2.650 630 N HA -0.216 4.524 4.740 -0.000 0.000 0.272 630 N C -0.536 174.924 175.510 -0.083 0.000 1.058 630 N CA 0.809 53.802 53.050 -0.096 0.000 0.765 630 N CB -1.286 37.173 38.487 -0.047 0.000 0.902 630 N HN 0.626 nan 8.380 nan 0.000 0.551 631 A N 0.731 123.529 122.820 -0.038 0.000 2.515 631 A HA 0.749 5.069 4.320 -0.000 0.000 0.296 631 A C 0.342 177.976 177.584 0.083 0.000 1.094 631 A CA -0.119 51.923 52.037 0.009 0.000 0.718 631 A CB 0.757 19.774 19.000 0.029 0.000 1.307 631 A HN 0.742 nan 8.150 nan 0.000 0.408 632 T N -0.295 114.359 114.554 0.167 0.000 2.900 632 T HA 0.269 4.619 4.350 -0.000 0.000 0.307 632 T C 0.050 174.864 174.700 0.190 0.000 1.065 632 T CA -0.122 62.099 62.100 0.201 0.000 1.105 632 T CB -0.372 68.682 68.868 0.310 0.000 0.979 632 T HN 0.584 nan 8.240 nan 0.000 0.544 633 N N 1.614 120.413 118.700 0.165 0.000 2.458 633 N HA 0.469 5.209 4.740 -0.000 0.000 0.270 633 N C 1.411 177.044 175.510 0.204 0.000 1.102 633 N CA -0.021 53.124 53.050 0.157 0.000 0.967 633 N CB 0.652 39.214 38.487 0.125 0.000 1.078 633 N HN 1.040 nan 8.380 nan 0.000 0.471 634 G N 2.511 111.425 108.800 0.189 0.000 2.684 634 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.342 634 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.342 634 G C 0.787 175.862 174.900 0.292 0.000 1.316 634 G CA 1.120 46.340 45.100 0.200 0.000 0.994 634 G HN 0.788 nan 8.290 nan 0.000 0.541 635 I N -1.706 119.042 120.570 0.296 0.000 3.883 635 I HA 0.441 4.611 4.170 -0.000 0.000 0.326 635 I C 0.119 176.622 176.117 0.643 0.000 1.283 635 I CA 0.021 61.596 61.300 0.458 0.000 1.161 635 I CB 0.259 38.373 38.000 0.191 0.000 1.012 635 I HN 0.022 nan 8.210 nan 0.000 0.421 636 E N 4.417 124.876 120.200 0.431 0.000 2.289 636 E HA 0.307 4.657 4.350 -0.000 0.000 0.278 636 E C -2.231 174.480 176.600 0.185 0.000 1.032 636 E CA -2.708 53.866 56.400 0.290 0.000 0.854 636 E CB 0.303 30.094 29.700 0.152 0.000 1.046 636 E HN 0.152 nan 8.360 nan 0.000 0.409 637 P HA 0.063 nan 4.420 nan 0.000 0.265 637 P C -2.449 174.769 177.300 -0.137 0.000 1.193 637 P CA -1.023 61.950 63.100 -0.211 0.000 0.765 637 P CB -0.331 30.976 31.700 -0.655 0.000 0.823 638 P HA 0.192 nan 4.420 nan 0.000 0.271 638 P C 1.035 178.219 177.300 -0.194 0.000 1.218 638 P CA -0.107 62.927 63.100 -0.111 0.000 0.780 638 P CB 0.823 32.441 31.700 -0.137 0.000 0.901 639 R N 1.241 121.643 120.500 -0.163 0.000 2.075 639 R HA 0.073 4.412 4.340 -0.000 0.000 0.232 639 R C 1.180 177.402 176.300 -0.130 0.000 1.126 639 R CA 1.825 57.835 56.100 -0.150 0.000 0.963 639 R CB -0.309 29.964 30.300 -0.045 0.000 0.858 639 R HN 0.758 nan 8.270 nan 0.000 0.435 640 G N -3.340 105.366 108.800 -0.157 0.000 2.721 640 G HA2 0.224 4.184 3.960 -0.000 0.000 0.296 640 G HA3 0.224 4.184 3.960 -0.000 0.000 0.296 640 G C -0.802 173.945 174.900 -0.255 0.000 1.383 640 G CA -0.645 44.314 45.100 -0.235 0.000 0.788 640 G HN 0.087 nan 8.290 nan 0.000 0.500 641 Y N -0.962 119.324 120.300 -0.025 0.000 2.395 641 Y HA 0.286 4.835 4.550 -0.000 0.000 0.293 641 Y C 1.261 177.095 175.900 -0.110 0.000 1.123 641 Y CA 0.203 58.269 58.100 -0.056 0.000 1.227 641 Y CB 0.210 38.691 38.460 0.034 0.000 1.012 641 Y HN 0.099 nan 8.280 nan 0.000 0.552 642 V N 0.702 120.641 119.914 0.040 0.000 2.487 642 V HA 0.404 4.523 4.120 -0.000 0.000 0.298 642 V C -0.233 175.853 176.094 -0.012 0.000 1.028 642 V CA -1.141 61.151 62.300 -0.013 0.000 0.860 642 V CB 1.593 33.393 31.823 -0.040 0.000 0.991 642 V HN 0.143 nan 8.190 nan 0.000 0.427 643 S N 5.482 121.174 115.700 -0.014 0.000 2.509 643 S HA 0.829 5.299 4.470 -0.000 0.000 0.297 643 S C -0.892 173.704 174.600 -0.006 0.000 1.118 643 S CA -0.581 57.613 58.200 -0.010 0.000 1.074 643 S CB 1.472 64.665 63.200 -0.011 0.000 1.038 643 S HN 0.461 nan 8.310 nan 0.000 0.498 644 I N 2.303 122.871 120.570 -0.003 0.000 2.404 644 I HA 0.563 4.733 4.170 -0.000 0.000 0.293 644 I C -0.173 175.945 176.117 0.001 0.000 0.992 644 I CA -0.406 60.894 61.300 0.000 0.000 1.149 644 I CB 2.018 40.018 38.000 0.000 0.000 1.315 644 I HN 0.688 nan 8.210 nan 0.000 0.446 645 K N 4.438 124.838 120.400 0.001 0.000 2.328 645 K HA 0.877 5.197 4.320 -0.000 0.000 0.246 645 K C -1.019 175.583 176.600 0.003 0.000 0.955 645 K CA -0.508 55.779 56.287 -0.001 0.000 0.817 645 K CB 1.908 34.402 32.500 -0.011 0.000 1.208 645 K HN 0.609 nan 8.250 nan 0.000 0.432 646 A N 1.261 124.083 122.820 0.003 0.000 2.279 646 A HA 0.705 5.024 4.320 -0.000 0.000 0.303 646 A C -0.529 177.057 177.584 0.004 0.000 1.108 646 A CA -0.087 51.954 52.037 0.006 0.000 0.830 646 A CB 0.879 19.882 19.000 0.006 0.000 1.106 646 A HN 0.734 nan 8.150 nan 0.000 0.493 647 S N -0.286 115.419 115.700 0.009 0.000 2.727 647 S HA 0.513 4.983 4.470 -0.000 0.000 0.278 647 S C -0.156 174.453 174.600 0.015 0.000 1.186 647 S CA -0.308 57.897 58.200 0.008 0.000 0.836 647 S CB 0.859 64.063 63.200 0.007 0.000 1.186 647 S HN 0.519 nan 8.310 nan 0.000 0.499 648 K N 0.611 121.020 120.400 0.016 0.000 2.356 648 K HA 0.340 4.660 4.320 -0.000 0.000 0.195 648 K C 0.352 176.970 176.600 0.031 0.000 1.037 648 K CA 0.535 56.834 56.287 0.021 0.000 1.014 648 K CB 0.032 32.542 32.500 0.018 0.000 0.815 648 K HN 0.462 nan 8.250 nan 0.000 0.507 649 D N 0.821 121.244 120.400 0.039 0.000 2.325 649 D HA 0.149 4.789 4.640 -0.000 0.000 0.225 649 D C 0.701 177.042 176.300 0.069 0.000 1.096 649 D CA 0.649 54.686 54.000 0.061 0.000 0.844 649 D CB 0.512 41.359 40.800 0.079 0.000 0.925 649 D HN 0.287 nan 8.370 nan 0.000 0.513 650 G N 0.973 109.803 108.800 0.050 0.000 2.409 650 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.421 650 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.421 650 G C -0.820 174.107 174.900 0.045 0.000 1.259 650 G CA -0.976 44.150 45.100 0.044 0.000 1.011 650 G HN 0.139 nan 8.290 nan 0.000 0.497 651 I N 1.420 122.013 120.570 0.038 0.000 2.352 651 I HA 0.346 4.516 4.170 -0.000 0.000 0.290 651 I C 0.451 176.606 176.117 0.063 0.000 1.036 651 I CA -0.349 60.971 61.300 0.034 0.000 1.336 651 I CB 0.745 38.753 38.000 0.013 0.000 1.407 651 I HN 0.340 nan 8.210 nan 0.000 0.497 652 L N 7.136 128.395 121.223 0.060 0.000 2.257 652 L HA 0.549 4.889 4.340 -0.000 0.000 0.290 652 L C 0.104 177.004 176.870 0.049 0.000 1.044 652 L CA -0.560 54.332 54.840 0.088 0.000 0.810 652 L CB 0.512 42.586 42.059 0.024 0.000 1.193 652 L HN 0.570 nan 8.230 nan 0.000 0.425 653 R N 2.407 122.944 120.500 0.060 0.000 2.668 653 R HA 0.527 4.867 4.340 -0.000 0.000 0.279 653 R C -0.784 175.526 176.300 0.016 0.000 0.976 653 R CA -0.624 55.488 56.100 0.020 0.000 0.978 653 R CB 2.152 32.453 30.300 0.002 0.000 1.133 653 R HN 0.601 nan 8.270 nan 0.000 0.484 654 Q N 2.109 121.904 119.800 -0.007 0.000 2.263 654 Q HA 0.267 4.607 4.340 -0.000 0.000 0.266 654 Q C -1.545 174.442 176.000 -0.022 0.000 1.002 654 Q CA -0.618 55.173 55.803 -0.020 0.000 0.790 654 Q CB 2.050 30.774 28.738 -0.023 0.000 1.272 654 Q HN 0.378 nan 8.270 nan 0.000 0.435 655 V N 3.765 123.662 119.914 -0.028 0.000 2.583 655 V HA 0.214 4.333 4.120 -0.000 0.000 0.287 655 V C 0.746 176.868 176.094 0.046 0.000 1.051 655 V CA -0.612 61.679 62.300 -0.016 0.000 1.010 655 V CB 0.910 32.708 31.823 -0.042 0.000 0.988 655 V HN 0.672 nan 8.190 nan 0.000 0.478 656 V N 3.204 123.162 119.914 0.074 0.000 2.928 656 V HA 0.156 4.276 4.120 -0.000 0.000 0.307 656 V C -2.166 174.078 176.094 0.250 0.000 1.105 656 V CA -1.367 60.995 62.300 0.103 0.000 1.223 656 V CB -0.703 31.057 31.823 -0.104 0.000 0.930 656 V HN 0.771 nan 8.190 nan 0.000 0.499 657 P HA 0.122 nan 4.420 nan 0.000 0.264 657 P C 0.073 177.661 177.300 0.480 0.000 1.193 657 P CA 0.650 63.877 63.100 0.210 0.000 0.763 657 P CB 0.057 31.609 31.700 -0.247 0.000 0.810 658 D N 1.713 122.357 120.400 0.406 0.000 2.689 658 D HA -0.273 4.367 4.640 -0.000 0.000 0.237 658 D C 0.325 176.903 176.300 0.464 0.000 1.148 658 D CA 0.588 54.854 54.000 0.443 0.000 0.656 658 D CB -1.458 39.625 40.800 0.472 0.000 1.050 658 D HN 0.475 nan 8.370 nan 0.000 0.426 659 Y N 0.498 120.993 120.300 0.325 0.000 2.145 659 Y HA -0.177 4.373 4.550 -0.000 0.000 0.286 659 Y C 2.193 178.220 175.900 0.212 0.000 1.145 659 Y CA 2.582 60.849 58.100 0.278 0.000 1.148 659 Y CB -0.257 38.282 38.460 0.132 0.000 0.981 659 Y HN 0.328 nan 8.280 nan 0.000 0.507 660 E N -0.521 119.814 120.200 0.225 0.000 2.082 660 E HA -0.367 3.983 4.350 -0.000 0.000 0.215 660 E C 1.703 178.169 176.600 -0.222 0.000 1.048 660 E CA 2.573 58.955 56.400 -0.030 0.000 0.869 660 E CB -0.399 29.226 29.700 -0.126 0.000 0.773 660 E HN 0.770 nan 8.360 nan 0.000 0.466 661 H N -1.380 117.704 119.070 0.023 0.000 2.525 661 H HA 0.198 4.753 4.556 -0.000 0.000 0.275 661 H C 1.189 176.414 175.328 -0.172 0.000 0.984 661 H CA 0.804 56.810 56.048 -0.070 0.000 1.264 661 H CB 0.374 30.105 29.762 -0.051 0.000 1.432 661 H HN 0.148 nan 8.280 nan 0.000 0.549 662 L N 1.294 122.503 121.223 -0.023 0.000 2.728 662 L HA 0.052 4.392 4.340 -0.000 0.000 0.238 662 L C 1.938 178.751 176.870 -0.094 0.000 1.143 662 L CA -0.116 54.651 54.840 -0.121 0.000 0.937 662 L CB -0.104 41.865 42.059 -0.151 0.000 1.225 662 L HN 0.498 nan 8.230 nan 0.000 0.507 663 H N -0.567 118.366 119.070 -0.228 0.000 2.357 663 H HA -0.214 4.342 4.556 -0.000 0.000 0.296 663 H C 0.638 175.984 175.328 0.030 0.000 1.108 663 H CA 1.789 57.651 56.048 -0.311 0.000 1.273 663 H CB -0.355 28.761 29.762 -1.076 0.000 1.367 663 H HN 0.345 nan 8.280 nan 0.000 0.498 664 D N 1.101 121.300 120.400 -0.335 0.000 2.317 664 D HA 0.088 4.728 4.640 -0.000 0.000 0.211 664 D C 2.197 178.485 176.300 -0.020 0.000 0.966 664 D CA 1.000 54.947 54.000 -0.089 0.000 0.876 664 D CB -0.052 40.648 40.800 -0.167 0.000 0.927 664 D HN 0.594 nan 8.370 nan 0.000 0.519 665 A N -0.011 122.767 122.820 -0.071 0.000 1.975 665 A HA -0.034 4.286 4.320 -0.000 0.000 0.215 665 A C 0.708 178.280 177.584 -0.020 0.000 1.170 665 A CA 0.194 52.175 52.037 -0.094 0.000 0.656 665 A CB -0.387 18.485 19.000 -0.214 0.000 0.821 665 A HN 0.061 nan 8.150 nan 0.000 0.449 666 Y N 0.257 120.616 120.300 0.099 0.000 2.511 666 Y HA 0.260 4.811 4.550 0.000 0.000 0.347 666 Y C 0.776 176.751 175.900 0.126 0.000 1.257 666 Y CA 0.730 58.921 58.100 0.152 0.000 1.469 666 Y CB 0.374 38.991 38.460 0.262 0.000 1.353 666 Y HN 0.411 nan 8.280 nan 0.000 0.617 667 E N 2.717 123.099 120.200 0.303 0.000 2.235 667 E HA 0.386 4.736 4.350 -0.000 0.000 0.252 667 E C -1.624 175.016 176.600 0.066 0.000 0.886 667 E CA -0.446 56.054 56.400 0.167 0.000 0.767 667 E CB 0.367 30.170 29.700 0.171 0.000 1.205 667 E HN 0.580 nan 8.360 nan 0.000 0.421 668 L N 4.151 125.363 121.223 -0.018 0.000 2.464 668 L HA 0.111 4.450 4.340 -0.000 0.000 0.264 668 L C 1.671 178.415 176.870 -0.211 0.000 1.199 668 L CA -0.351 54.399 54.840 -0.150 0.000 0.818 668 L CB 0.249 42.173 42.059 -0.225 0.000 1.102 668 L HN 0.720 nan 8.230 nan 0.000 0.473 669 L N 1.159 122.165 121.223 -0.362 0.000 2.013 669 L HA -0.186 4.153 4.340 -0.000 0.000 0.212 669 L C 1.511 178.007 176.870 -0.624 0.000 1.073 669 L CA 1.942 56.414 54.840 -0.614 0.000 0.753 669 L CB -0.319 41.224 42.059 -0.860 0.000 0.890 669 L HN 0.552 nan 8.230 nan 0.000 0.432 670 W N -0.051 121.195 121.300 -0.089 0.000 3.405 670 W HA 0.151 4.811 4.660 0.001 0.000 0.300 670 W C 1.760 178.258 176.519 -0.036 0.000 1.286 670 W CA -0.123 57.188 57.345 -0.057 0.000 1.762 670 W CB -0.073 29.364 29.460 -0.039 0.000 1.087 670 W HN 0.243 nan 8.180 nan 0.000 0.703 671 E N 0.099 120.348 120.200 0.081 0.000 2.415 671 E HA 0.064 4.413 4.350 -0.000 0.000 0.197 671 E C 0.779 177.411 176.600 0.054 0.000 1.007 671 E CA 0.183 56.628 56.400 0.075 0.000 0.890 671 E CB 0.026 29.761 29.700 0.058 0.000 0.891 671 E HN 0.259 nan 8.360 nan 0.000 0.496 672 M N 2.520 122.126 119.600 0.009 0.000 2.217 672 M HA 0.052 4.532 4.480 -0.000 0.000 0.352 672 M C -1.741 174.586 176.300 0.046 0.000 1.376 672 M CA -1.435 53.873 55.300 0.012 0.000 1.107 672 M CB 0.451 33.018 32.600 -0.055 0.000 1.723 672 M HN -0.193 nan 8.290 nan 0.000 0.461 673 P HA -0.012 nan 4.420 nan 0.000 0.222 673 P C 0.467 177.804 177.300 0.061 0.000 1.147 673 P CA 0.748 63.879 63.100 0.051 0.000 0.790 673 P CB 0.311 32.036 31.700 0.042 0.000 0.780 674 G N -1.683 107.156 108.800 0.064 0.000 2.494 674 G HA2 0.100 4.060 3.960 -0.000 0.000 0.308 674 G HA3 0.100 4.060 3.960 -0.000 0.000 0.308 674 G C -0.349 174.574 174.900 0.039 0.000 1.263 674 G CA -0.399 44.747 45.100 0.077 0.000 0.840 674 G HN -0.179 nan 8.290 nan 0.000 0.479 675 N N -0.202 118.530 118.700 0.054 0.000 2.299 675 N HA 0.054 4.793 4.740 -0.000 0.000 0.187 675 N C 0.867 176.480 175.510 0.170 0.000 1.099 675 N CA 0.636 53.727 53.050 0.068 0.000 0.867 675 N CB 0.730 39.231 38.487 0.023 0.000 0.974 675 N HN 0.491 nan 8.380 nan 0.000 0.477 676 D N 0.963 121.462 120.400 0.165 0.000 2.092 676 D HA -0.112 4.527 4.640 -0.000 0.000 0.193 676 D C 2.111 178.500 176.300 0.150 0.000 0.994 676 D CA 1.462 55.568 54.000 0.176 0.000 0.828 676 D CB -0.397 40.502 40.800 0.165 0.000 0.963 676 D HN 0.188 nan 8.370 nan 0.000 0.450 677 G N 0.106 108.993 108.800 0.145 0.000 2.631 677 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.219 677 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.219 677 G C 1.506 176.527 174.900 0.202 0.000 1.214 677 G CA 1.312 46.500 45.100 0.147 0.000 0.785 677 G HN 0.351 nan 8.290 nan 0.000 0.596 678 Y N 1.207 121.590 120.300 0.139 0.000 2.097 678 Y HA -0.099 4.452 4.550 0.000 0.000 0.282 678 Y C 2.758 178.723 175.900 0.108 0.000 1.152 678 Y CA 1.778 59.991 58.100 0.187 0.000 1.136 678 Y CB -0.360 38.192 38.460 0.154 0.000 0.975 678 Y HN 0.127 nan 8.280 nan 0.000 0.498 679 L N 0.148 121.527 121.223 0.259 0.000 2.043 679 L HA -0.336 4.004 4.340 -0.000 0.000 0.212 679 L C 2.612 179.454 176.870 -0.045 0.000 1.075 679 L CA 1.814 56.727 54.840 0.121 0.000 0.752 679 L CB -0.803 41.403 42.059 0.245 0.000 0.891 679 L HN 0.393 nan 8.230 nan 0.000 0.432 680 Q N -0.117 119.608 119.800 -0.125 0.000 2.045 680 Q HA -0.236 4.104 4.340 -0.000 0.000 0.206 680 Q C 2.392 178.233 176.000 -0.265 0.000 0.991 680 Q CA 1.591 57.167 55.803 -0.378 0.000 0.851 680 Q CB -0.257 28.264 28.738 -0.361 0.000 0.911 680 Q HN 0.537 nan 8.270 nan 0.000 0.418 681 L N -0.065 121.058 121.223 -0.166 0.000 2.083 681 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 681 L C 2.419 179.110 176.870 -0.298 0.000 1.083 681 L CA 0.729 55.465 54.840 -0.174 0.000 0.752 681 L CB -0.588 41.434 42.059 -0.062 0.000 0.899 681 L HN 0.115 nan 8.230 nan 0.000 0.433 682 V N 0.458 120.159 119.914 -0.356 0.000 2.287 682 V HA -0.235 3.884 4.120 -0.000 0.000 0.248 682 V C 2.682 178.627 176.094 -0.249 0.000 1.053 682 V CA 2.098 64.183 62.300 -0.358 0.000 1.027 682 V CB -1.263 30.348 31.823 -0.354 0.000 0.646 682 V HN 0.576 nan 8.190 nan 0.000 0.447 683 G N -0.115 108.579 108.800 -0.178 0.000 2.476 683 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 683 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 683 G C 1.573 176.364 174.900 -0.180 0.000 1.164 683 G CA 1.276 46.300 45.100 -0.127 0.000 0.768 683 G HN 0.503 nan 8.290 nan 0.000 0.560 684 I N 0.302 120.746 120.570 -0.210 0.000 2.226 684 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 684 I C 2.915 178.912 176.117 -0.200 0.000 1.100 684 I CA 1.045 62.241 61.300 -0.173 0.000 1.374 684 I CB -0.166 37.779 38.000 -0.092 0.000 1.057 684 I HN 0.172 nan 8.210 nan 0.000 0.413 685 M N -0.369 119.007 119.600 -0.374 0.000 2.159 685 M HA -0.233 4.247 4.480 -0.000 0.000 0.263 685 M C 2.284 178.443 176.300 -0.234 0.000 1.063 685 M CA 1.537 56.489 55.300 -0.581 0.000 1.110 685 M CB -0.320 31.652 32.600 -1.047 0.000 1.374 685 M HN 0.101 nan 8.290 nan 0.000 0.411 686 Q N 0.987 120.674 119.800 -0.188 0.000 2.291 686 Q HA -0.141 4.199 4.340 -0.000 0.000 0.205 686 Q C 1.729 177.740 176.000 0.019 0.000 0.970 686 Q CA 1.480 57.244 55.803 -0.065 0.000 0.876 686 Q CB -0.223 28.488 28.738 -0.046 0.000 0.935 686 Q HN 0.441 nan 8.270 nan 0.000 0.455 687 K N -1.007 119.297 120.400 -0.161 0.000 2.032 687 K HA -0.155 4.165 4.320 -0.000 0.000 0.209 687 K C 0.993 177.326 176.600 -0.444 0.000 1.048 687 K CA 1.653 57.690 56.287 -0.417 0.000 0.927 687 K CB -0.162 31.773 32.500 -0.942 0.000 0.712 687 K HN 0.265 nan 8.250 nan 0.000 0.441 688 F N 0.580 120.527 119.950 -0.004 0.000 2.714 688 F HA 0.210 4.737 4.527 -0.000 0.000 0.294 688 F C 0.563 176.428 175.800 0.109 0.000 1.120 688 F CA -0.485 57.556 58.000 0.069 0.000 1.398 688 F CB 0.230 39.297 39.000 0.111 0.000 1.120 688 F HN -0.110 nan 8.300 nan 0.000 0.589 689 I N 1.413 122.099 120.570 0.192 0.000 2.496 689 I HA -0.031 4.139 4.170 -0.000 0.000 0.285 689 I C 1.121 177.261 176.117 0.038 0.000 1.080 689 I CA -0.069 61.312 61.300 0.134 0.000 1.404 689 I CB 0.418 38.462 38.000 0.073 0.000 1.403 689 I HN 0.111 nan 8.210 nan 0.000 0.539 690 D N 4.146 124.589 120.400 0.072 0.000 2.097 690 D HA -0.118 4.522 4.640 -0.000 0.000 0.197 690 D C 1.372 177.672 176.300 -0.001 0.000 0.984 690 D CA 1.468 55.488 54.000 0.034 0.000 0.826 690 D CB 0.545 41.405 40.800 0.100 0.000 0.973 690 D HN 0.614 nan 8.370 nan 0.000 0.460 691 Q N -0.201 119.614 119.800 0.025 0.000 3.074 691 Q HA 0.323 4.663 4.340 -0.000 0.000 0.231 691 Q C 0.523 176.519 176.000 -0.006 0.000 1.167 691 Q CA -0.301 55.515 55.803 0.021 0.000 0.313 691 Q CB 0.254 29.010 28.738 0.031 0.000 5.795 691 Q HN -0.102 nan 8.270 nan 0.000 0.323 692 S N -1.036 114.657 115.700 -0.012 0.000 2.810 692 S HA 0.664 5.134 4.470 -0.000 0.000 0.315 692 S C -1.310 173.270 174.600 -0.034 0.000 1.138 692 S CA -0.716 57.472 58.200 -0.021 0.000 0.889 692 S CB 0.927 64.113 63.200 -0.024 0.000 1.236 692 S HN 0.312 nan 8.310 nan 0.000 0.548 693 I N 1.235 121.780 120.570 -0.042 0.000 2.545 693 I HA 0.324 4.494 4.170 -0.000 0.000 0.292 693 I C -0.371 175.717 176.117 -0.048 0.000 1.040 693 I CA -0.370 60.899 61.300 -0.051 0.000 1.068 693 I CB 2.325 40.280 38.000 -0.075 0.000 1.251 693 I HN 0.399 nan 8.210 nan 0.000 0.424 694 S N 5.105 120.768 115.700 -0.062 0.000 3.517 694 S HA 0.415 4.885 4.470 -0.000 0.000 0.284 694 S C 0.233 174.909 174.600 0.126 0.000 1.260 694 S CA -0.553 57.595 58.200 -0.087 0.000 0.975 694 S CB -0.253 62.855 63.200 -0.154 0.000 1.540 694 S HN 0.608 nan 8.310 nan 0.000 0.506 695 A N 3.771 126.693 122.820 0.169 0.000 2.310 695 A HA 0.489 4.808 4.320 -0.000 0.000 0.299 695 A C 0.349 178.145 177.584 0.354 0.000 1.147 695 A CA -0.745 51.479 52.037 0.311 0.000 0.818 695 A CB 0.486 19.628 19.000 0.237 0.000 1.096 695 A HN 0.700 nan 8.150 nan 0.000 0.495 696 N N -0.164 118.748 118.700 0.354 0.000 2.443 696 N HA 0.599 5.339 4.740 -0.000 0.000 0.293 696 N C -0.663 174.903 175.510 0.094 0.000 1.159 696 N CA -0.343 52.820 53.050 0.189 0.000 0.904 696 N CB 1.874 40.401 38.487 0.068 0.000 1.214 696 N HN 0.754 nan 8.380 nan 0.000 0.513 697 T N -1.016 113.590 114.554 0.087 0.000 2.856 697 T HA 0.546 4.896 4.350 -0.000 0.000 0.283 697 T C -0.853 173.771 174.700 -0.126 0.000 1.008 697 T CA -0.962 61.138 62.100 -0.001 0.000 0.997 697 T CB 0.959 69.939 68.868 0.187 0.000 0.992 697 T HN 0.432 nan 8.240 nan 0.000 0.454 698 N N 1.121 119.585 118.700 -0.393 0.000 2.295 698 N HA 0.597 5.336 4.740 -0.000 0.000 0.293 698 N C -1.843 173.441 175.510 -0.378 0.000 1.040 698 N CA -0.738 52.163 53.050 -0.249 0.000 0.840 698 N CB 1.561 39.823 38.487 -0.376 0.000 1.468 698 N HN 0.653 nan 8.380 nan 0.000 0.478 699 Y N -0.510 120.030 120.300 0.400 0.000 2.477 699 Y HA 0.433 4.983 4.550 -0.000 0.000 0.347 699 Y C -0.832 175.261 175.900 0.321 0.000 0.981 699 Y CA -0.988 57.325 58.100 0.354 0.000 1.033 699 Y CB 2.023 40.576 38.460 0.154 0.000 1.245 699 Y HN 0.396 nan 8.280 nan 0.000 0.455 700 D N 3.529 124.198 120.400 0.449 0.000 2.481 700 D HA 0.366 5.006 4.640 -0.000 0.000 0.246 700 D C -2.301 174.172 176.300 0.287 0.000 1.109 700 D CA -2.681 51.389 54.000 0.117 0.000 0.845 700 D CB 2.443 43.279 40.800 0.060 0.000 1.160 700 D HN 0.150 nan 8.370 nan 0.000 0.534 701 P HA -0.066 nan 4.420 nan 0.000 0.218 701 P C 1.379 178.802 177.300 0.206 0.000 1.149 701 P CA 0.652 63.867 63.100 0.192 0.000 0.817 701 P CB 0.366 32.090 31.700 0.040 0.000 0.785 702 S N -0.037 115.715 115.700 0.087 0.000 2.389 702 S HA -0.221 4.248 4.470 -0.000 0.000 0.231 702 S C 1.746 176.380 174.600 0.055 0.000 1.052 702 S CA 1.299 59.529 58.200 0.051 0.000 1.053 702 S CB -0.760 62.440 63.200 -0.000 0.000 0.886 702 S HN 0.253 nan 8.310 nan 0.000 0.456 703 R N -0.180 120.345 120.500 0.042 0.000 2.357 703 R HA 0.068 4.408 4.340 -0.000 0.000 0.202 703 R C -0.647 175.412 176.300 -0.401 0.000 1.047 703 R CA 0.506 56.496 56.100 -0.182 0.000 1.034 703 R CB -0.215 29.907 30.300 -0.297 0.000 0.875 703 R HN 0.337 nan 8.270 nan 0.000 0.473 704 F N 0.698 120.674 119.950 0.043 0.000 2.546 704 F HA 0.360 4.887 4.527 0.000 0.000 0.320 704 F C -1.927 173.888 175.800 0.024 0.000 1.076 704 F CA -3.512 54.512 58.000 0.040 0.000 0.928 704 F CB 1.061 40.086 39.000 0.041 0.000 1.189 704 F HN -0.217 nan 8.300 nan 0.000 0.465 705 P HA 0.008 nan 4.420 nan 0.000 0.264 705 P C 0.078 177.444 177.300 0.110 0.000 1.183 705 P CA 0.461 63.627 63.100 0.111 0.000 0.763 705 P CB 0.831 32.586 31.700 0.090 0.000 0.807 706 S N 1.598 117.341 115.700 0.072 0.000 3.445 706 S HA -0.192 4.278 4.470 -0.000 0.000 0.319 706 S C 1.200 175.833 174.600 0.055 0.000 1.209 706 S CA 1.246 59.477 58.200 0.052 0.000 0.934 706 S CB -2.242 60.983 63.200 0.041 0.000 0.999 706 S HN 1.144 nan 8.310 nan 0.000 0.582 707 G N 0.650 109.499 108.800 0.083 0.000 2.203 707 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.263 707 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.263 707 G C -0.275 174.653 174.900 0.048 0.000 1.012 707 G CA 0.937 46.084 45.100 0.079 0.000 0.749 707 G HN 0.915 nan 8.290 nan 0.000 0.512 708 K N -0.202 120.222 120.400 0.040 0.000 2.376 708 K HA 0.652 4.972 4.320 -0.000 0.000 0.257 708 K C -0.138 176.338 176.600 -0.207 0.000 0.939 708 K CA -1.198 55.053 56.287 -0.061 0.000 0.809 708 K CB 2.949 35.425 32.500 -0.040 0.000 1.121 708 K HN 0.052 nan 8.250 nan 0.000 0.425 709 V N 3.093 122.759 119.914 -0.413 0.000 2.521 709 V HA 0.128 4.247 4.120 -0.000 0.000 0.286 709 V C -1.853 173.962 176.094 -0.466 0.000 1.034 709 V CA -1.471 60.335 62.300 -0.824 0.000 1.045 709 V CB -0.292 31.048 31.823 -0.805 0.000 0.974 709 V HN 0.724 nan 8.190 nan 0.000 0.480 710 P HA 0.194 nan 4.420 nan 0.000 0.271 710 P C 0.467 177.675 177.300 -0.152 0.000 1.218 710 P CA -0.582 62.432 63.100 -0.143 0.000 0.780 710 P CB 0.636 32.332 31.700 -0.006 0.000 0.901 711 M N 1.835 121.386 119.600 -0.081 0.000 2.319 711 M HA -0.115 4.365 4.480 -0.000 0.000 0.265 711 M C 1.857 178.148 176.300 -0.016 0.000 1.068 711 M CA 1.714 56.982 55.300 -0.053 0.000 1.118 711 M CB -0.877 31.713 32.600 -0.017 0.000 1.395 711 M HN 0.284 nan 8.290 nan 0.000 0.435 712 Q N -0.034 119.768 119.800 0.003 0.000 2.050 712 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 712 Q C 2.141 178.173 176.000 0.054 0.000 0.980 712 Q CA 2.165 57.988 55.803 0.033 0.000 0.840 712 Q CB -0.329 28.437 28.738 0.047 0.000 0.898 712 Q HN 0.627 nan 8.270 nan 0.000 0.424 713 Q N -0.250 119.583 119.800 0.054 0.000 2.050 713 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 713 Q C 1.915 177.972 176.000 0.095 0.000 0.980 713 Q CA 1.534 57.410 55.803 0.122 0.000 0.840 713 Q CB -0.353 28.504 28.738 0.197 0.000 0.898 713 Q HN 0.514 nan 8.270 nan 0.000 0.424 714 L N -0.394 120.796 121.223 -0.055 0.000 2.013 714 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 714 L C 2.329 179.262 176.870 0.104 0.000 1.073 714 L CA 1.293 56.109 54.840 -0.039 0.000 0.753 714 L CB -0.556 41.425 42.059 -0.129 0.000 0.890 714 L HN 0.301 nan 8.230 nan 0.000 0.432 715 L N -0.356 120.919 121.223 0.087 0.000 2.109 715 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 715 L C 2.650 179.577 176.870 0.095 0.000 1.086 715 L CA 0.906 55.807 54.840 0.102 0.000 0.760 715 L CB -0.425 41.667 42.059 0.055 0.000 0.910 715 L HN 0.226 nan 8.230 nan 0.000 0.437 716 K N 0.606 121.064 120.400 0.098 0.000 2.026 716 K HA -0.203 4.116 4.320 -0.000 0.000 0.208 716 K C 1.603 178.286 176.600 0.138 0.000 1.048 716 K CA 1.864 58.210 56.287 0.099 0.000 0.929 716 K CB -0.266 32.298 32.500 0.106 0.000 0.713 716 K HN 0.103 nan 8.250 nan 0.000 0.439 717 D N 0.377 120.899 120.400 0.203 0.000 2.123 717 D HA -0.164 4.476 4.640 -0.000 0.000 0.196 717 D C 1.864 178.296 176.300 0.221 0.000 0.992 717 D CA 1.222 55.369 54.000 0.245 0.000 0.833 717 D CB -0.354 40.661 40.800 0.359 0.000 0.954 717 D HN 0.215 nan 8.370 nan 0.000 0.455 718 L N 0.586 121.940 121.223 0.219 0.000 2.013 718 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 718 L C 2.172 179.118 176.870 0.127 0.000 1.073 718 L CA 1.537 56.512 54.840 0.225 0.000 0.753 718 L CB -0.502 41.723 42.059 0.278 0.000 0.890 718 L HN 0.034 nan 8.230 nan 0.000 0.432 719 L N -1.641 119.606 121.223 0.040 0.000 2.056 719 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 719 L C 2.341 179.202 176.870 -0.015 0.000 1.078 719 L CA 1.547 56.338 54.840 -0.082 0.000 0.749 719 L CB -1.296 40.700 42.059 -0.105 0.000 0.901 719 L HN 0.249 nan 8.230 nan 0.000 0.433 720 T N 0.329 114.912 114.554 0.048 0.000 2.665 720 T HA -0.256 4.094 4.350 -0.000 0.000 0.268 720 T C 2.101 176.878 174.700 0.129 0.000 1.035 720 T CA 1.549 63.690 62.100 0.068 0.000 1.151 720 T CB -0.393 68.592 68.868 0.195 0.000 0.862 720 T HN 0.458 nan 8.240 nan 0.000 0.438 721 A N 0.707 123.642 122.820 0.191 0.000 1.873 721 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 721 A C 2.122 179.806 177.584 0.166 0.000 1.193 721 A CA 2.107 54.271 52.037 0.213 0.000 0.629 721 A CB -1.258 17.881 19.000 0.232 0.000 0.826 721 A HN 0.626 nan 8.150 nan 0.000 0.447 722 Y N 0.645 120.948 120.300 0.004 0.000 2.181 722 Y HA -0.232 4.318 4.550 -0.000 0.000 0.288 722 Y C 2.392 178.310 175.900 0.031 0.000 1.146 722 Y CA 2.462 60.564 58.100 0.004 0.000 1.164 722 Y CB -0.202 38.027 38.460 -0.385 0.000 0.982 722 Y HN 0.368 nan 8.280 nan 0.000 0.515 723 K N -0.700 119.652 120.400 -0.080 0.000 2.147 723 K HA -0.156 4.164 4.320 -0.000 0.000 0.205 723 K C 0.704 177.029 176.600 -0.459 0.000 1.049 723 K CA 1.526 57.633 56.287 -0.300 0.000 0.936 723 K CB -0.402 31.841 32.500 -0.428 0.000 0.722 723 K HN 0.298 nan 8.250 nan 0.000 0.446 724 F N 0.496 120.388 119.950 -0.096 0.000 2.645 724 F HA 0.320 4.847 4.527 -0.001 0.000 0.300 724 F C 1.151 176.817 175.800 -0.223 0.000 1.115 724 F CA 0.044 57.968 58.000 -0.127 0.000 1.355 724 F CB 0.588 39.547 39.000 -0.067 0.000 1.026 724 F HN 0.244 nan 8.300 nan 0.000 0.536 725 G N 0.550 109.184 108.800 -0.276 0.000 2.160 725 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.251 725 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.251 725 G C 0.147 174.910 174.900 -0.228 0.000 1.008 725 G CA 0.114 44.851 45.100 -0.605 0.000 0.724 725 G HN 0.155 nan 8.290 nan 0.000 0.514 726 V N 0.034 119.952 119.914 0.005 0.000 2.540 726 V HA 0.114 4.234 4.120 -0.000 0.000 0.297 726 V C 1.783 177.983 176.094 0.176 0.000 1.024 726 V CA 1.279 63.634 62.300 0.091 0.000 1.105 726 V CB 1.205 33.108 31.823 0.134 0.000 0.938 726 V HN 0.480 nan 8.190 nan 0.000 0.482 727 K N 2.252 122.730 120.400 0.130 0.000 2.062 727 K HA 0.004 4.324 4.320 -0.000 0.000 0.205 727 K C 0.828 177.519 176.600 0.151 0.000 1.051 727 K CA 1.279 57.659 56.287 0.155 0.000 0.941 727 K CB 0.087 32.644 32.500 0.095 0.000 0.719 727 K HN 0.936 nan 8.250 nan 0.000 0.440 728 T N -2.369 112.262 114.554 0.128 0.000 2.865 728 T HA 0.607 4.957 4.350 -0.000 0.000 0.294 728 T C -0.908 173.893 174.700 0.167 0.000 1.119 728 T CA -0.993 61.193 62.100 0.144 0.000 1.007 728 T CB 1.554 70.471 68.868 0.082 0.000 1.225 728 T HN -0.112 nan 8.240 nan 0.000 0.515 729 L N 1.798 123.146 121.223 0.207 0.000 2.439 729 L HA 0.484 4.824 4.340 -0.000 0.000 0.270 729 L C -0.989 176.037 176.870 0.260 0.000 0.972 729 L CA -0.926 54.061 54.840 0.245 0.000 0.836 729 L CB 1.988 44.218 42.059 0.284 0.000 1.255 729 L HN 0.743 nan 8.230 nan 0.000 0.404 730 Y N 3.373 123.671 120.300 -0.004 0.000 3.106 730 Y HA 0.324 4.875 4.550 0.001 0.000 0.438 730 Y C 0.186 176.103 175.900 0.028 0.000 1.222 730 Y CA -0.599 57.319 58.100 -0.303 0.000 1.563 730 Y CB 0.084 38.301 38.460 -0.405 0.000 1.450 730 Y HN 0.286 nan 8.280 nan 0.000 0.842 731 Y N 1.972 122.060 120.300 -0.353 0.000 2.861 731 Y HA 0.027 4.577 4.550 -0.000 0.000 0.344 731 Y C 0.631 176.570 175.900 0.065 0.000 1.272 731 Y CA 0.524 58.529 58.100 -0.157 0.000 1.502 731 Y CB -0.091 38.183 38.460 -0.309 0.000 1.333 731 Y HN 0.278 nan 8.280 nan 0.000 0.634 732 Q N 3.295 123.288 119.800 0.321 0.000 2.333 732 Q HA 0.314 4.654 4.340 -0.000 0.000 0.265 732 Q C -1.423 174.700 176.000 0.203 0.000 0.989 732 Q CA -0.954 55.007 55.803 0.263 0.000 0.842 732 Q CB 0.623 29.535 28.738 0.290 0.000 1.262 732 Q HN 0.640 nan 8.270 nan 0.000 0.451 733 N N 2.310 121.120 118.700 0.182 0.000 2.443 733 N HA 0.411 5.151 4.740 -0.000 0.000 0.295 733 N C -1.147 174.569 175.510 0.343 0.000 1.076 733 N CA -0.264 52.910 53.050 0.206 0.000 0.919 733 N CB 1.984 40.612 38.487 0.235 0.000 1.176 733 N HN 0.411 nan 8.380 nan 0.000 0.487 734 T N 2.005 116.698 114.554 0.231 0.000 2.829 734 T HA 0.691 5.040 4.350 -0.000 0.000 0.280 734 T C 0.142 174.801 174.700 -0.068 0.000 0.999 734 T CA -0.557 61.627 62.100 0.139 0.000 0.983 734 T CB 1.481 70.397 68.868 0.078 0.000 0.968 734 T HN 0.447 nan 8.240 nan 0.000 0.446 735 R N 0.892 121.144 120.500 -0.413 0.000 4.011 735 R HA -0.028 4.312 4.340 -0.000 0.000 0.240 735 R C -1.368 174.092 176.300 -1.400 0.000 0.887 735 R CA -0.302 55.422 56.100 -0.626 0.000 0.782 735 R CB -0.263 29.835 30.300 -0.336 0.000 1.409 735 R HN 0.880 nan 8.270 nan 0.000 0.498 736 D N -1.307 118.465 120.400 -1.046 0.000 2.527 736 D HA 0.278 4.918 4.640 -0.000 0.000 0.224 736 D C 0.345 176.266 176.300 -0.632 0.000 1.217 736 D CA 0.129 53.537 54.000 -0.987 0.000 0.819 736 D CB 1.627 42.190 40.800 -0.395 0.000 1.061 736 D HN 0.672 nan 8.370 nan 0.000 0.515 737 G N 0.341 108.840 108.800 -0.502 0.000 4.193 737 G HA2 0.600 4.560 3.960 -0.000 0.000 0.265 737 G HA3 0.600 4.560 3.960 -0.000 0.000 0.265 737 G C -0.131 174.775 174.900 0.009 0.000 3.257 737 G CA -0.030 45.031 45.100 -0.066 0.000 0.596 737 G HN 0.742 nan 8.290 nan 0.000 0.281 738 A N 0.000 122.959 122.820 0.232 0.000 2.254 738 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 738 A CA 0.000 52.180 52.037 0.239 0.000 0.836 738 A CB 0.000 19.053 19.000 0.088 0.000 0.831 738 A HN 0.000 nan 8.150 nan 0.000 0.486