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 1n6e_1_C DATA FIRST_RESID 39 DATA SEQUENCE MPNLLLNPDI HGDRIIFVCC DDLWEHDLKS GSTRKIVSNL GVINNARFFP DATA SEQUENCE DGRKIAIRVM RGSSLNTADL YFYNGENGEI KRITYFSGKS TGRRMFTDVA DATA SEQUENCE GFDPDGNLII STDAMQPFSS MTCLYRVEND GINFVPLNLG PATHILFADG DATA SEQUENCE RRVIGRNTFE LPHWKGYRGG TRGKIWIEVN SGAFKKIVDM STHVSSPVIV DATA SEQUENCE GHRIYFITDI DGFGQIYSTD LDGKDLRKHT SFTDYYPRHL NTDGRRILFS DATA SEQUENCE KGGSIYIFNP DTEKIEKIEI GDLESPEDRI ISIPSKFAED FSPLDGDLIA DATA SEQUENCE FVSRGQAFIQ DVSGTYVLKV PEPLRIRYVR RGGDTKVAFI HGTREGDFLG DATA SEQUENCE IYDYRTGKAE KFEENLGNVF AMGVDRNGKF AVVANDRFEI MTVDLETGKP DATA SEQUENCE TVIERSREAM ITDFTISDNS RFIAYGFPLK HGETDGYVMQ AIHVYDMEGR DATA SEQUENCE KIFAATTENS HDYAPAFDAD SKNLYYLSYR SLDPSPDRVV LNFSFEVVSK DATA SEQUENCE PFVIPLIPGS PNPTKLVPRS MTSEAGEYDL NDMYKRSSPI NVDPGDYRMI DATA SEQUENCE IPLESSILIY SVPVHGEFAA YYQGAPEKGV LLKYDVKTRK VTEVKNNLTD DATA SEQUENCE LRLSADRKTV MVRKDDGKIY TFPLEKPEDE RTVETDKRPL VSSIHEEFLQ DATA SEQUENCE MYDEAWKLAR DNYWNEAVAK EISERIYEKY RNLVPLCKTR YDLSNVIVEM DATA SEQUENCE QGEYRTSHSY EMGGTFTDKD PFRSGRIACD FKLDGDHYVV AKAYAGDYSN DATA SEQUENCE EGEKSPIFEY GIDPTGYLIE DIDGETVGAG SNIYRVLSEK AGTSARIRLS DATA SEQUENCE GKGGDKRDLM IDILDDDRFI RYRSWVEANR RYVHERSKGT IGYIHIPDMG DATA SEQUENCE MMGLNEFYRL FINESSYQGL IVDVRFNGGG FVSQLIIEKL MNKRIGYDNP DATA SEQUENCE RRGTLSPYPT NSVRGKIIAI TNEYAGSDGD IFSFSFKKLG LGKLIGTRTW DATA SEQUENCE GGVVGITPKR RLIDGTVLTQ PEFAFWFRDA GFGVENYGVD PDVEIEYAPH DATA SEQUENCE DYLSGKDPQI DYAIDALIEE LRN 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 39 M HA 0.000 nan 4.480 nan 0.000 0.227 39 M C 0.000 176.265 176.300 -0.059 0.000 1.140 39 M CA 0.000 55.268 55.300 -0.054 0.000 0.988 39 M CB 0.000 32.570 32.600 -0.051 0.000 1.302 40 P HA 0.294 nan 4.420 nan 0.000 0.274 40 P C -0.990 176.256 177.300 -0.091 0.000 1.237 40 P CA -0.061 62.985 63.100 -0.091 0.000 0.793 40 P CB 0.806 32.446 31.700 -0.099 0.000 0.977 41 N N 0.098 118.726 118.700 -0.120 0.000 2.482 41 N HA 0.437 5.420 4.740 0.406 0.000 0.279 41 N C -0.692 174.747 175.510 -0.118 0.000 1.182 41 N CA -0.630 52.356 53.050 -0.106 0.000 0.969 41 N CB 0.259 38.664 38.487 -0.138 0.000 1.201 41 N HN 0.314 nan 8.380 nan 0.000 0.523 42 L N 1.411 122.588 121.223 -0.077 0.000 2.281 42 L HA 0.432 5.015 4.340 0.406 0.000 0.285 42 L C -1.292 175.532 176.870 -0.077 0.000 1.074 42 L CA -0.037 54.753 54.840 -0.083 0.000 0.817 42 L CB 0.006 42.036 42.059 -0.049 0.000 1.168 42 L HN 0.345 nan 8.230 nan 0.000 0.434 43 L N 6.346 127.492 121.223 -0.128 0.000 2.334 43 L HA 0.711 5.294 4.340 0.406 0.000 0.276 43 L C -0.722 176.121 176.870 -0.044 0.000 1.014 43 L CA -0.859 53.907 54.840 -0.122 0.000 0.815 43 L CB 1.579 43.398 42.059 -0.400 0.000 1.268 43 L HN 0.563 nan 8.230 nan 0.000 0.428 44 L N -0.740 120.521 121.223 0.063 0.000 2.828 44 L HA 0.477 5.061 4.340 0.406 0.000 0.264 44 L C -0.359 176.563 176.870 0.086 0.000 1.106 44 L CA -1.079 53.800 54.840 0.065 0.000 0.955 44 L CB 0.983 43.069 42.059 0.045 0.000 1.558 44 L HN 0.540 nan 8.230 nan 0.000 0.386 45 N N 0.208 118.877 118.700 -0.050 0.000 2.696 45 N HA -0.158 4.825 4.740 0.406 0.000 0.271 45 N C -2.486 173.053 175.510 0.049 0.000 0.997 45 N CA 0.409 53.191 53.050 -0.446 0.000 0.801 45 N CB -1.140 37.004 38.487 -0.572 0.000 0.913 45 N HN 0.624 nan 8.380 nan 0.000 0.557 46 P HA 0.380 nan 4.420 nan 0.000 0.281 46 P C -0.623 176.946 177.300 0.448 0.000 1.281 46 P CA 0.094 63.427 63.100 0.388 0.000 0.811 46 P CB 1.495 33.378 31.700 0.305 0.000 1.154 47 D N -0.845 119.782 120.400 0.377 0.000 2.655 47 D HA 0.579 5.463 4.640 0.406 0.000 0.229 47 D C -1.548 175.047 176.300 0.491 0.000 1.229 47 D CA -0.566 53.670 54.000 0.394 0.000 0.807 47 D CB 1.654 42.653 40.800 0.331 0.000 1.514 47 D HN 0.283 nan 8.370 nan 0.000 0.444 48 I N 1.328 122.199 120.570 0.502 0.000 2.865 48 I HA 0.577 4.990 4.170 0.406 0.000 0.302 48 I C -1.825 174.456 176.117 0.275 0.000 1.140 48 I CA -0.773 60.777 61.300 0.418 0.000 1.021 48 I CB 2.047 40.191 38.000 0.240 0.000 1.233 48 I HN 0.556 nan 8.210 nan 0.000 0.427 49 H N 5.083 124.077 119.070 -0.127 0.000 3.221 49 H HA 0.494 5.294 4.556 0.406 0.000 0.324 49 H C -0.027 175.152 175.328 -0.249 0.000 1.212 49 H CA 0.618 56.440 56.048 -0.377 0.000 1.624 49 H CB 0.787 29.929 29.762 -1.034 0.000 1.899 49 H HN 0.987 nan 8.280 nan 0.000 0.538 50 G N 3.637 112.276 108.800 -0.270 0.000 2.559 50 G HA2 -0.346 3.857 3.960 0.406 0.000 0.282 50 G HA3 -0.346 3.857 3.960 0.406 0.000 0.282 50 G C 0.520 175.399 174.900 -0.035 0.000 1.177 50 G CA 0.522 45.535 45.100 -0.146 0.000 0.960 50 G HN 0.575 nan 8.290 nan 0.000 0.540 51 D N 1.826 122.229 120.400 0.005 0.000 2.369 51 D HA 0.165 5.049 4.640 0.406 0.000 0.211 51 D C 1.242 177.596 176.300 0.091 0.000 1.077 51 D CA 0.252 54.278 54.000 0.044 0.000 0.842 51 D CB 0.280 41.098 40.800 0.029 0.000 0.947 51 D HN 0.401 nan 8.370 nan 0.000 0.509 52 R N 0.655 121.213 120.500 0.096 0.000 2.428 52 R HA 0.644 5.228 4.340 0.406 0.000 0.294 52 R C -0.090 176.390 176.300 0.301 0.000 1.000 52 R CA -0.369 55.839 56.100 0.181 0.000 0.960 52 R CB 2.009 32.405 30.300 0.161 0.000 1.076 52 R HN -0.107 nan 8.270 nan 0.000 0.475 53 I N 4.685 125.502 120.570 0.412 0.000 2.500 53 I HA 0.320 4.733 4.170 0.406 0.000 0.286 53 I C 0.004 176.428 176.117 0.513 0.000 1.063 53 I CA -0.823 60.767 61.300 0.484 0.000 1.062 53 I CB 1.842 40.075 38.000 0.388 0.000 1.223 53 I HN 0.527 nan 8.210 nan 0.000 0.435 54 I N 4.149 124.980 120.570 0.436 0.000 2.428 54 I HA 0.752 5.165 4.170 0.406 0.000 0.296 54 I C -0.892 175.380 176.117 0.258 0.000 0.985 54 I CA -0.323 61.081 61.300 0.174 0.000 1.260 54 I CB 1.378 39.299 38.000 -0.131 0.000 1.389 54 I HN 0.493 nan 8.210 nan 0.000 0.484 55 F N 3.214 123.258 119.950 0.155 0.000 2.745 55 F HA 0.819 5.589 4.527 0.406 0.000 0.316 55 F C -1.550 174.347 175.800 0.161 0.000 1.155 55 F CA -1.247 56.828 58.000 0.125 0.000 0.937 55 F CB 0.940 39.984 39.000 0.073 0.000 1.361 55 F HN 0.211 nan 8.300 nan 0.000 0.472 56 V N 1.366 121.500 119.914 0.367 0.000 2.483 56 V HA 0.600 4.964 4.120 0.406 0.000 0.295 56 V C -0.731 175.590 176.094 0.378 0.000 1.035 56 V CA -0.602 61.874 62.300 0.293 0.000 0.896 56 V CB 1.251 33.208 31.823 0.224 0.000 0.986 56 V HN 1.060 nan 8.190 nan 0.000 0.447 57 C N 4.790 124.314 119.300 0.373 0.000 2.642 57 C HA 0.519 5.223 4.460 0.406 0.000 0.344 57 C C 0.621 175.828 174.990 0.362 0.000 1.110 57 C CA -0.528 58.631 59.018 0.236 0.000 1.298 57 C CB -0.221 27.406 27.740 -0.187 0.000 1.827 57 C HN 1.170 nan 8.230 nan 0.000 0.467 58 C N 5.859 125.313 119.300 0.257 0.000 4.167 58 C HA -0.102 4.601 4.460 0.406 0.000 0.302 58 C C 0.717 175.854 174.990 0.245 0.000 1.384 58 C CA 1.483 60.653 59.018 0.254 0.000 2.041 58 C CB -2.734 25.162 27.740 0.260 0.000 1.303 58 C HN 1.155 nan 8.230 nan 0.000 0.718 59 D N -2.014 118.537 120.400 0.250 0.000 3.006 59 D HA -0.147 4.737 4.640 0.406 0.000 0.208 59 D C -0.138 176.216 176.300 0.091 0.000 1.116 59 D CA 2.195 56.291 54.000 0.162 0.000 0.998 59 D CB -0.701 40.167 40.800 0.112 0.000 1.124 59 D HN 0.724 nan 8.370 nan 0.000 0.413 60 D N -0.145 120.342 120.400 0.144 0.000 2.268 60 D HA 0.435 5.319 4.640 0.406 0.000 0.249 60 D C 0.437 176.757 176.300 0.033 0.000 1.008 60 D CA -0.566 53.443 54.000 0.015 0.000 0.939 60 D CB 1.233 41.994 40.800 -0.066 0.000 1.170 60 D HN -0.019 nan 8.370 nan 0.000 0.468 61 L N 1.665 122.779 121.223 -0.182 0.000 2.276 61 L HA 0.332 4.916 4.340 0.406 0.000 0.286 61 L C -1.160 175.471 176.870 -0.397 0.000 1.061 61 L CA -0.427 54.293 54.840 -0.200 0.000 0.807 61 L CB 0.492 42.401 42.059 -0.251 0.000 1.177 61 L HN 0.336 nan 8.230 nan 0.000 0.429 62 W N 3.517 124.474 121.300 -0.571 0.000 2.799 62 W HA 0.507 5.410 4.660 0.406 0.000 0.349 62 W C -0.258 175.880 176.519 -0.636 0.000 1.100 62 W CA -0.495 56.440 57.345 -0.683 0.000 1.174 62 W CB 1.177 30.009 29.460 -1.047 0.000 1.427 62 W HN 0.350 nan 8.180 nan 0.000 0.547 63 E N 1.785 121.961 120.200 -0.040 0.000 2.222 63 E HA 0.220 4.813 4.350 0.406 0.000 0.267 63 E C -1.525 175.265 176.600 0.317 0.000 0.884 63 E CA -0.581 55.894 56.400 0.125 0.000 0.764 63 E CB 1.584 31.366 29.700 0.136 0.000 1.169 63 E HN 0.542 nan 8.360 nan 0.000 0.413 64 H N 3.250 122.510 119.070 0.318 0.000 2.589 64 H HA 0.232 5.031 4.556 0.406 0.000 0.351 64 H C -1.679 173.779 175.328 0.217 0.000 1.074 64 H CA -0.637 55.596 56.048 0.309 0.000 1.203 64 H CB 1.901 31.904 29.762 0.403 0.000 1.558 64 H HN 0.572 nan 8.280 nan 0.000 0.522 65 D N 5.005 125.226 120.400 -0.298 0.000 2.412 65 D HA 0.140 5.024 4.640 0.406 0.000 0.224 65 D C 1.187 177.345 176.300 -0.237 0.000 1.093 65 D CA -0.455 53.447 54.000 -0.162 0.000 0.850 65 D CB 0.727 41.467 40.800 -0.101 0.000 1.046 65 D HN 0.552 nan 8.370 nan 0.000 0.507 66 L N 3.320 124.556 121.223 0.021 0.000 2.079 66 L HA -0.165 4.419 4.340 0.406 0.000 0.210 66 L C 2.390 179.276 176.870 0.027 0.000 1.081 66 L CA 1.057 55.953 54.840 0.094 0.000 0.752 66 L CB -0.364 41.760 42.059 0.109 0.000 0.896 66 L HN 0.481 nan 8.230 nan 0.000 0.433 67 K N 0.372 120.773 120.400 0.003 0.000 1.991 67 K HA -0.195 4.368 4.320 0.406 0.000 0.212 67 K C 2.220 178.812 176.600 -0.013 0.000 1.049 67 K CA 2.048 58.334 56.287 -0.001 0.000 0.932 67 K CB -0.029 32.471 32.500 -0.001 0.000 0.717 67 K HN 0.368 nan 8.250 nan 0.000 0.441 68 S N -1.693 113.984 115.700 -0.039 0.000 2.524 68 S HA 0.175 4.888 4.470 0.406 0.000 0.216 68 S C 1.300 175.871 174.600 -0.049 0.000 0.987 68 S CA 0.376 58.555 58.200 -0.036 0.000 0.909 68 S CB 0.655 63.835 63.200 -0.033 0.000 0.781 68 S HN 0.586 nan 8.310 nan 0.000 0.521 69 G N 1.766 110.496 108.800 -0.116 0.000 2.162 69 G HA2 -0.287 3.916 3.960 0.406 0.000 0.260 69 G HA3 -0.287 3.916 3.960 0.406 0.000 0.260 69 G C 0.151 174.974 174.900 -0.128 0.000 0.976 69 G CA 0.315 45.363 45.100 -0.087 0.000 0.655 69 G HN 1.376 nan 8.290 nan 0.000 0.533 70 S N -0.228 115.362 115.700 -0.183 0.000 2.584 70 S HA 0.745 5.458 4.470 0.406 0.000 0.273 70 S C -0.001 174.578 174.600 -0.036 0.000 1.311 70 S CA 0.579 58.745 58.200 -0.057 0.000 1.034 70 S CB 2.076 65.265 63.200 -0.017 0.000 0.939 70 S HN 0.757 nan 8.310 nan 0.000 0.513 71 T N 2.785 117.438 114.554 0.166 0.000 2.886 71 T HA 0.759 5.353 4.350 0.406 0.000 0.292 71 T C -0.552 174.362 174.700 0.356 0.000 1.012 71 T CA -0.992 61.316 62.100 0.346 0.000 0.982 71 T CB 1.300 70.457 68.868 0.481 0.000 1.018 71 T HN 0.945 nan 8.240 nan 0.000 0.451 72 R N 0.442 121.165 120.500 0.372 0.000 2.680 72 R HA 0.617 5.200 4.340 0.406 0.000 0.269 72 R C -1.374 174.897 176.300 -0.050 0.000 1.026 72 R CA -1.282 54.943 56.100 0.209 0.000 0.889 72 R CB 1.722 32.063 30.300 0.068 0.000 1.241 72 R HN 0.478 nan 8.270 nan 0.000 0.463 73 K N 2.885 122.938 120.400 -0.578 0.000 2.276 73 K HA 0.235 4.798 4.320 0.406 0.000 0.285 73 K C 0.468 176.735 176.600 -0.555 0.000 1.062 73 K CA -0.571 55.057 56.287 -1.097 0.000 0.918 73 K CB 0.690 32.317 32.500 -1.456 0.000 1.055 73 K HN 0.803 nan 8.250 nan 0.000 0.477 74 I N 1.724 121.990 120.570 -0.506 0.000 4.057 74 I HA 0.213 4.626 4.170 0.406 0.000 0.334 74 I C -0.360 175.432 176.117 -0.541 0.000 1.308 74 I CA -0.505 60.551 61.300 -0.407 0.000 1.125 74 I CB 1.085 38.866 38.000 -0.365 0.000 1.034 74 I HN 0.243 nan 8.210 nan 0.000 0.401 75 V N 1.405 121.012 119.914 -0.512 0.000 2.851 75 V HA 0.664 5.027 4.120 0.406 0.000 0.290 75 V C -1.058 174.834 176.094 -0.338 0.000 1.330 75 V CA 0.477 62.525 62.300 -0.420 0.000 0.944 75 V CB 1.785 33.297 31.823 -0.519 0.000 1.090 75 V HN 0.523 nan 8.190 nan 0.000 0.436 76 S N 3.890 119.441 115.700 -0.248 0.000 2.688 76 S HA 0.668 5.382 4.470 0.406 0.000 0.275 76 S C 0.019 174.532 174.600 -0.145 0.000 1.175 76 S CA -0.043 58.038 58.200 -0.199 0.000 0.818 76 S CB 1.528 64.603 63.200 -0.210 0.000 1.157 76 S HN 2.275 nan 8.310 nan 0.000 0.482 77 N N -0.820 117.814 118.700 -0.111 0.000 2.741 77 N HA -0.137 4.846 4.740 0.406 0.000 0.250 77 N C 0.032 175.474 175.510 -0.113 0.000 1.115 77 N CA 1.160 54.156 53.050 -0.089 0.000 0.724 77 N CB -1.720 36.724 38.487 -0.071 0.000 1.090 77 N HN 0.660 nan 8.380 nan 0.000 0.558 78 L N -2.019 119.112 121.223 -0.153 0.000 2.515 78 L HA 0.420 5.004 4.340 0.406 0.000 0.223 78 L C 1.521 178.282 176.870 -0.181 0.000 1.079 78 L CA 0.630 55.338 54.840 -0.219 0.000 0.857 78 L CB 0.019 41.866 42.059 -0.354 0.000 1.050 78 L HN 0.498 nan 8.230 nan 0.000 0.476 79 G N -0.500 108.221 108.800 -0.132 0.000 2.270 79 G HA2 -0.096 4.108 3.960 0.406 0.000 0.268 79 G HA3 -0.096 4.108 3.960 0.406 0.000 0.268 79 G C -1.164 173.683 174.900 -0.088 0.000 1.312 79 G CA -0.665 44.371 45.100 -0.106 0.000 1.050 79 G HN -0.276 nan 8.290 nan 0.000 0.474 80 V N 1.173 121.027 119.914 -0.099 0.000 2.432 80 V HA 0.487 4.850 4.120 0.406 0.000 0.271 80 V C 0.661 176.642 176.094 -0.189 0.000 1.046 80 V CA -0.142 62.063 62.300 -0.158 0.000 0.945 80 V CB 0.851 32.514 31.823 -0.267 0.000 0.992 80 V HN 0.551 nan 8.190 nan 0.000 0.471 81 I N 5.162 125.648 120.570 -0.140 0.000 2.331 81 I HA 0.321 4.734 4.170 0.406 0.000 0.292 81 I C 0.917 176.989 176.117 -0.076 0.000 0.998 81 I CA -0.108 61.141 61.300 -0.086 0.000 1.267 81 I CB 1.079 39.051 38.000 -0.045 0.000 1.386 81 I HN 0.844 nan 8.210 nan 0.000 0.476 82 N N 3.347 122.018 118.700 -0.048 0.000 2.181 82 N HA 0.132 5.115 4.740 0.406 0.000 0.207 82 N C -0.065 175.504 175.510 0.098 0.000 1.182 82 N CA -0.419 52.661 53.050 0.051 0.000 0.893 82 N CB 0.494 39.013 38.487 0.053 0.000 1.032 82 N HN 0.532 nan 8.380 nan 0.000 0.513 83 N N 0.029 118.793 118.700 0.107 0.000 2.446 83 N HA 0.600 5.583 4.740 0.406 0.000 0.272 83 N C -2.200 173.408 175.510 0.164 0.000 1.127 83 N CA -0.466 52.695 53.050 0.185 0.000 0.896 83 N CB 2.266 40.905 38.487 0.252 0.000 1.658 83 N HN 0.282 nan 8.380 nan 0.000 0.483 84 A N 2.378 125.315 122.820 0.195 0.000 2.459 84 A HA 0.820 5.384 4.320 0.406 0.000 0.296 84 A C -1.347 176.328 177.584 0.152 0.000 1.039 84 A CA -0.704 51.410 52.037 0.128 0.000 0.698 84 A CB 1.343 20.357 19.000 0.024 0.000 1.261 84 A HN 0.490 nan 8.150 nan 0.000 0.405 85 R N 1.543 122.143 120.500 0.167 0.000 2.538 85 R HA 0.378 4.961 4.340 0.406 0.000 0.292 85 R C -1.492 174.949 176.300 0.236 0.000 1.008 85 R CA -0.407 55.839 56.100 0.243 0.000 0.896 85 R CB 1.229 31.755 30.300 0.377 0.000 1.187 85 R HN 0.686 nan 8.270 nan 0.000 0.440 86 F N 2.282 122.361 119.950 0.215 0.000 2.529 86 F HA 0.127 4.898 4.527 0.406 0.000 0.365 86 F C 0.957 176.633 175.800 -0.206 0.000 1.102 86 F CA 0.254 58.310 58.000 0.093 0.000 1.271 86 F CB 0.430 39.475 39.000 0.074 0.000 1.120 86 F HN 0.328 nan 8.300 nan 0.000 0.579 87 F N 5.042 124.875 119.950 -0.195 0.000 2.399 87 F HA 0.172 4.943 4.527 0.406 0.000 0.313 87 F C -0.854 174.652 175.800 -0.489 0.000 1.202 87 F CA -1.744 55.861 58.000 -0.658 0.000 1.192 87 F CB -0.026 38.780 39.000 -0.324 0.000 1.256 87 F HN 0.298 nan 8.300 nan 0.000 0.558 88 P HA -0.267 nan 4.420 nan 0.000 0.213 88 P C 0.852 178.145 177.300 -0.012 0.000 1.176 88 P CA 2.370 65.404 63.100 -0.110 0.000 0.919 88 P CB -0.250 31.421 31.700 -0.050 0.000 0.791 89 D N -0.805 119.578 120.400 -0.027 0.000 2.311 89 D HA -0.071 4.812 4.640 0.406 0.000 0.212 89 D C 1.521 177.672 176.300 -0.248 0.000 0.972 89 D CA 1.422 55.384 54.000 -0.064 0.000 0.887 89 D CB -1.410 39.354 40.800 -0.060 0.000 0.915 89 D HN 0.448 nan 8.370 nan 0.000 0.497 90 G N -0.045 108.504 108.800 -0.418 0.000 2.143 90 G HA2 -0.331 3.872 3.960 0.406 0.000 0.248 90 G HA3 -0.331 3.872 3.960 0.406 0.000 0.248 90 G C 1.133 175.851 174.900 -0.304 0.000 0.991 90 G CA 0.472 45.048 45.100 -0.874 0.000 0.689 90 G HN 0.352 nan 8.290 nan 0.000 0.522 91 R N -0.159 120.260 120.500 -0.136 0.000 2.084 91 R HA 0.212 4.795 4.340 0.406 0.000 0.209 91 R C 1.281 177.528 176.300 -0.088 0.000 1.173 91 R CA 0.805 56.846 56.100 -0.097 0.000 1.053 91 R CB -0.322 29.893 30.300 -0.142 0.000 0.948 91 R HN 0.439 nan 8.270 nan 0.000 0.460 92 K N 1.085 121.350 120.400 -0.225 0.000 2.126 92 K HA 0.462 5.026 4.320 0.406 0.000 0.257 92 K C -0.127 176.457 176.600 -0.025 0.000 1.007 92 K CA -0.080 55.965 56.287 -0.403 0.000 0.928 92 K CB 1.082 32.886 32.500 -1.161 0.000 1.013 92 K HN -0.021 nan 8.250 nan 0.000 0.473 93 I N 1.297 121.917 120.570 0.085 0.000 2.534 93 I HA 0.253 4.667 4.170 0.406 0.000 0.288 93 I C -0.731 175.641 176.117 0.425 0.000 1.077 93 I CA -0.935 60.558 61.300 0.322 0.000 1.051 93 I CB 2.092 40.199 38.000 0.177 0.000 1.234 93 I HN 0.610 nan 8.210 nan 0.000 0.425 94 A N 7.822 130.982 122.820 0.567 0.000 2.328 94 A HA 0.808 5.372 4.320 0.406 0.000 0.284 94 A C -0.500 177.297 177.584 0.355 0.000 1.160 94 A CA -0.104 52.263 52.037 0.550 0.000 0.818 94 A CB 0.217 19.488 19.000 0.451 0.000 1.087 94 A HN 0.664 nan 8.150 nan 0.000 0.504 95 I N 1.860 122.638 120.570 0.347 0.000 2.545 95 I HA 0.443 4.857 4.170 0.406 0.000 0.292 95 I C 0.187 176.420 176.117 0.192 0.000 1.040 95 I CA -0.556 60.878 61.300 0.223 0.000 1.068 95 I CB 2.111 40.217 38.000 0.178 0.000 1.251 95 I HN 0.775 nan 8.210 nan 0.000 0.424 96 R N 5.495 126.074 120.500 0.133 0.000 2.295 96 R HA 0.712 5.296 4.340 0.406 0.000 0.324 96 R C -1.737 174.601 176.300 0.063 0.000 0.968 96 R CA -0.413 55.747 56.100 0.099 0.000 0.837 96 R CB 1.778 32.132 30.300 0.090 0.000 1.133 96 R HN 0.526 nan 8.270 nan 0.000 0.450 97 V N 6.213 126.175 119.914 0.080 0.000 2.656 97 V HA 0.495 4.859 4.120 0.406 0.000 0.307 97 V C -0.761 175.438 176.094 0.176 0.000 1.051 97 V CA -0.839 61.505 62.300 0.073 0.000 0.893 97 V CB 2.060 33.902 31.823 0.032 0.000 0.999 97 V HN 0.892 nan 8.190 nan 0.000 0.426 98 M N 6.203 125.838 119.600 0.059 0.000 2.423 98 M HA 0.664 5.387 4.480 0.406 0.000 0.335 98 M C -0.206 176.096 176.300 0.003 0.000 1.177 98 M CA -0.337 54.999 55.300 0.060 0.000 1.038 98 M CB 1.896 34.438 32.600 -0.097 0.000 1.641 98 M HN 0.602 nan 8.290 nan 0.000 0.455 99 R N 0.170 120.653 120.500 -0.028 0.000 2.836 99 R HA 0.818 5.401 4.340 0.406 0.000 0.269 99 R C -1.014 175.218 176.300 -0.114 0.000 1.010 99 R CA -0.827 55.156 56.100 -0.196 0.000 0.930 99 R CB 2.435 32.369 30.300 -0.609 0.000 1.218 99 R HN 0.939 nan 8.270 nan 0.000 0.473 100 G N 0.238 108.975 108.800 -0.105 0.000 3.067 100 G HA2 -0.224 3.980 3.960 0.406 0.000 0.686 100 G HA3 -0.224 3.980 3.960 0.406 0.000 0.686 100 G C 0.529 175.429 174.900 0.000 0.000 1.119 100 G CA -0.161 44.909 45.100 -0.050 0.000 0.790 100 G HN 0.707 nan 8.290 nan 0.000 0.605 101 S N 0.518 116.237 115.700 0.032 0.000 2.409 101 S HA -0.178 4.536 4.470 0.406 0.000 0.237 101 S C 2.005 176.724 174.600 0.198 0.000 1.060 101 S CA 2.411 60.674 58.200 0.105 0.000 1.052 101 S CB -0.117 63.134 63.200 0.086 0.000 0.871 101 S HN 1.402 nan 8.310 nan 0.000 0.465 102 S N 1.005 116.772 115.700 0.112 0.000 2.582 102 S HA 0.477 5.190 4.470 0.406 0.000 0.234 102 S C 0.316 174.832 174.600 -0.140 0.000 0.961 102 S CA -0.164 58.082 58.200 0.078 0.000 0.953 102 S CB -0.523 62.710 63.200 0.054 0.000 0.800 102 S HN 0.560 nan 8.310 nan 0.000 0.471 103 L N 1.368 122.520 121.223 -0.118 0.000 3.678 103 L HA -0.310 4.273 4.340 0.406 0.000 0.425 103 L C 0.889 177.674 176.870 -0.143 0.000 1.240 103 L CA 0.516 55.251 54.840 -0.174 0.000 0.876 103 L CB -2.402 39.450 42.059 -0.345 0.000 1.766 103 L HN 0.495 nan 8.230 nan 0.000 0.917 104 N N -0.826 117.822 118.700 -0.087 0.000 2.494 104 N HA -0.024 4.960 4.740 0.406 0.000 0.182 104 N C 0.672 176.161 175.510 -0.034 0.000 1.076 104 N CA 0.875 53.882 53.050 -0.071 0.000 0.908 104 N CB 0.139 38.598 38.487 -0.046 0.000 0.967 104 N HN 0.633 nan 8.380 nan 0.000 0.449 105 T N -3.616 110.943 114.554 0.009 0.000 2.916 105 T HA 0.841 5.435 4.350 0.406 0.000 0.292 105 T C -0.946 173.870 174.700 0.194 0.000 1.064 105 T CA -0.729 61.430 62.100 0.099 0.000 1.011 105 T CB 2.199 71.162 68.868 0.158 0.000 1.152 105 T HN 0.220 nan 8.240 nan 0.000 0.510 106 A N 1.258 124.201 122.820 0.205 0.000 2.604 106 A HA 0.791 5.354 4.320 0.406 0.000 0.295 106 A C -1.765 175.683 177.584 -0.227 0.000 1.067 106 A CA -0.722 51.396 52.037 0.135 0.000 0.683 106 A CB 1.724 20.748 19.000 0.040 0.000 1.281 106 A HN 0.853 nan 8.150 nan 0.000 0.407 107 D N -0.404 119.703 120.400 -0.489 0.000 2.639 107 D HA 0.563 5.447 4.640 0.406 0.000 0.271 107 D C -1.253 174.872 176.300 -0.290 0.000 1.254 107 D CA -0.218 53.394 54.000 -0.646 0.000 0.810 107 D CB 1.678 41.688 40.800 -1.317 0.000 1.351 107 D HN 0.487 nan 8.370 nan 0.000 0.427 108 L N 0.952 122.023 121.223 -0.253 0.000 2.331 108 L HA 0.541 5.124 4.340 0.406 0.000 0.275 108 L C -0.861 175.973 176.870 -0.060 0.000 1.022 108 L CA -0.719 54.102 54.840 -0.032 0.000 0.812 108 L CB 0.966 43.029 42.059 0.005 0.000 1.257 108 L HN 0.272 nan 8.230 nan 0.000 0.435 109 Y N 0.814 121.117 120.300 0.004 0.000 2.602 109 Y HA 0.546 5.339 4.550 0.406 0.000 0.342 109 Y C -0.532 175.579 175.900 0.352 0.000 1.029 109 Y CA -0.751 57.386 58.100 0.063 0.000 1.080 109 Y CB 2.122 40.630 38.460 0.081 0.000 1.284 109 Y HN 0.278 nan 8.280 nan 0.000 0.485 110 F N 1.330 121.422 119.950 0.237 0.000 2.480 110 F HA 0.384 5.154 4.527 0.406 0.000 0.329 110 F C -1.167 174.770 175.800 0.228 0.000 1.091 110 F CA -1.123 56.998 58.000 0.202 0.000 0.972 110 F CB 1.826 40.872 39.000 0.076 0.000 1.150 110 F HN 0.388 nan 8.300 nan 0.000 0.467 111 Y N 3.696 124.122 120.300 0.210 0.000 2.346 111 Y HA 0.300 5.093 4.550 0.406 0.000 0.332 111 Y C -1.068 174.823 175.900 -0.015 0.000 0.985 111 Y CA -1.148 57.008 58.100 0.092 0.000 1.112 111 Y CB 1.101 39.599 38.460 0.063 0.000 1.170 111 Y HN 0.453 nan 8.280 nan 0.000 0.447 112 N N 3.880 122.151 118.700 -0.716 0.000 2.527 112 N HA 0.196 5.180 4.740 0.406 0.000 0.236 112 N C 0.867 175.883 175.510 -0.822 0.000 0.999 112 N CA 0.509 53.209 53.050 -0.584 0.000 0.935 112 N CB 1.508 39.794 38.487 -0.334 0.000 1.132 112 N HN 1.093 nan 8.380 nan 0.000 0.511 113 G N 2.243 110.669 108.800 -0.622 0.000 2.501 113 G HA2 -0.250 3.953 3.960 0.406 0.000 0.220 113 G HA3 -0.250 3.953 3.960 0.406 0.000 0.220 113 G C 1.090 175.886 174.900 -0.173 0.000 1.114 113 G CA 0.518 45.429 45.100 -0.314 0.000 0.757 113 G HN 0.702 nan 8.290 nan 0.000 0.559 114 E N 1.542 121.628 120.200 -0.190 0.000 2.015 114 E HA -0.156 4.438 4.350 0.406 0.000 0.191 114 E C 2.179 178.718 176.600 -0.103 0.000 0.991 114 E CA 1.515 57.844 56.400 -0.117 0.000 0.802 114 E CB -0.037 29.594 29.700 -0.115 0.000 0.759 114 E HN 0.516 nan 8.360 nan 0.000 0.447 115 N N -1.139 117.481 118.700 -0.134 0.000 2.282 115 N HA 0.116 5.099 4.740 0.406 0.000 0.185 115 N C 0.913 176.372 175.510 -0.085 0.000 1.099 115 N CA 0.764 53.760 53.050 -0.090 0.000 0.878 115 N CB 0.794 39.235 38.487 -0.077 0.000 0.993 115 N HN 0.280 nan 8.380 nan 0.000 0.481 116 G N 0.219 108.917 108.800 -0.171 0.000 2.149 116 G HA2 -0.322 3.882 3.960 0.406 0.000 0.235 116 G HA3 -0.322 3.882 3.960 0.406 0.000 0.235 116 G C -0.469 174.415 174.900 -0.026 0.000 1.018 116 G CA 0.214 45.265 45.100 -0.081 0.000 0.728 116 G HN 0.657 nan 8.290 nan 0.000 0.508 117 E N -0.364 119.755 120.200 -0.135 0.000 2.313 117 E HA 0.589 5.182 4.350 0.406 0.000 0.276 117 E C -0.152 176.485 176.600 0.062 0.000 1.031 117 E CA -0.830 55.556 56.400 -0.024 0.000 0.857 117 E CB 0.641 30.316 29.700 -0.042 0.000 1.040 117 E HN 0.293 nan 8.360 nan 0.000 0.408 118 I N 3.540 124.209 120.570 0.165 0.000 2.693 118 I HA 0.453 4.867 4.170 0.406 0.000 0.303 118 I C -1.331 174.927 176.117 0.236 0.000 1.025 118 I CA -0.480 60.986 61.300 0.278 0.000 1.086 118 I CB 1.564 39.733 38.000 0.282 0.000 1.268 118 I HN 0.578 nan 8.210 nan 0.000 0.440 119 K N 5.501 126.071 120.400 0.283 0.000 2.579 119 K HA 0.339 4.902 4.320 0.406 0.000 0.257 119 K C -1.265 175.183 176.600 -0.254 0.000 0.950 119 K CA -0.737 55.592 56.287 0.068 0.000 0.862 119 K CB 1.130 33.656 32.500 0.044 0.000 1.317 119 K HN 0.685 nan 8.250 nan 0.000 0.436 120 R N 5.112 125.217 120.500 -0.658 0.000 2.442 120 R HA 0.141 4.725 4.340 0.406 0.000 0.291 120 R C 0.569 176.459 176.300 -0.683 0.000 1.069 120 R CA -0.178 55.172 56.100 -1.250 0.000 1.022 120 R CB 0.433 29.987 30.300 -1.243 0.000 0.976 120 R HN 0.592 nan 8.270 nan 0.000 0.443 121 I N 2.217 122.375 120.570 -0.686 0.000 3.172 121 I HA -0.011 4.402 4.170 0.406 0.000 0.278 121 I C 1.010 176.926 176.117 -0.336 0.000 1.174 121 I CA 0.819 61.808 61.300 -0.519 0.000 1.445 121 I CB -0.562 37.014 38.000 -0.706 0.000 1.175 121 I HN 0.655 nan 8.210 nan 0.000 0.447 122 T N -1.622 112.618 114.554 -0.524 0.000 2.823 122 T HA 0.489 5.083 4.350 0.406 0.000 0.279 122 T C -0.780 173.429 174.700 -0.818 0.000 0.998 122 T CA -0.323 61.365 62.100 -0.686 0.000 0.994 122 T CB 1.590 70.014 68.868 -0.740 0.000 0.960 122 T HN 0.037 nan 8.240 nan 0.000 0.448 123 Y N 2.184 122.037 120.300 -0.746 0.000 2.685 123 Y HA 0.428 5.221 4.550 0.406 0.000 0.339 123 Y C 0.489 176.228 175.900 -0.268 0.000 0.961 123 Y CA -1.753 56.119 58.100 -0.379 0.000 1.330 123 Y CB -0.369 37.995 38.460 -0.160 0.000 1.269 123 Y HN 0.776 nan 8.280 nan 0.000 0.566 124 F N -1.479 118.369 119.950 -0.170 0.000 2.619 124 F HA 0.011 4.782 4.527 0.406 0.000 0.293 124 F C 1.635 177.354 175.800 -0.136 0.000 1.119 124 F CA 0.221 58.102 58.000 -0.199 0.000 1.445 124 F CB 0.333 39.131 39.000 -0.336 0.000 1.119 124 F HN 0.111 nan 8.300 nan 0.000 0.573 125 S N 1.327 117.038 115.700 0.019 0.000 3.631 125 S HA -0.158 4.556 4.470 0.406 0.000 0.366 125 S C 0.634 175.256 174.600 0.035 0.000 0.993 125 S CA 0.010 58.237 58.200 0.045 0.000 1.167 125 S CB -1.627 61.641 63.200 0.112 0.000 0.909 125 S HN 0.606 nan 8.310 nan 0.000 0.478 126 G N 1.434 110.239 108.800 0.007 0.000 2.368 126 G HA2 0.213 4.417 3.960 0.406 0.000 0.233 126 G HA3 0.213 4.417 3.960 0.406 0.000 0.233 126 G C -0.089 174.804 174.900 -0.011 0.000 1.267 126 G CA -0.181 44.911 45.100 -0.014 0.000 0.873 126 G HN 0.677 nan 8.290 nan 0.000 0.539 127 K N 0.807 121.188 120.400 -0.032 0.000 2.322 127 K HA 0.412 4.975 4.320 0.406 0.000 0.283 127 K C 0.329 176.876 176.600 -0.087 0.000 1.042 127 K CA -0.004 56.250 56.287 -0.055 0.000 0.958 127 K CB 0.964 33.421 32.500 -0.072 0.000 0.984 127 K HN 0.638 nan 8.250 nan 0.000 0.473 128 S N 0.500 116.123 115.700 -0.128 0.000 2.588 128 S HA 0.639 5.353 4.470 0.406 0.000 0.275 128 S C -0.631 173.819 174.600 -0.250 0.000 1.130 128 S CA -0.880 57.194 58.200 -0.211 0.000 0.855 128 S CB 1.926 65.038 63.200 -0.147 0.000 1.116 128 S HN 0.632 nan 8.310 nan 0.000 0.472 129 T N -2.044 112.308 114.554 -0.336 0.000 2.883 129 T HA 0.684 5.278 4.350 0.406 0.000 0.301 129 T C 1.308 175.825 174.700 -0.305 0.000 1.158 129 T CA -0.294 61.616 62.100 -0.316 0.000 1.007 129 T CB 0.922 69.570 68.868 -0.368 0.000 1.186 129 T HN 1.126 nan 8.240 nan 0.000 0.499 130 G N 1.605 110.260 108.800 -0.243 0.000 2.574 130 G HA2 -0.311 3.892 3.960 0.406 0.000 0.220 130 G HA3 -0.311 3.892 3.960 0.406 0.000 0.220 130 G C 1.516 176.303 174.900 -0.188 0.000 1.173 130 G CA 1.259 46.261 45.100 -0.165 0.000 0.772 130 G HN 1.013 nan 8.290 nan 0.000 0.585 131 R N -0.090 120.221 120.500 -0.316 0.000 2.092 131 R HA 0.058 4.642 4.340 0.406 0.000 0.231 131 R C 0.773 176.852 176.300 -0.369 0.000 1.119 131 R CA 0.839 56.736 56.100 -0.339 0.000 0.970 131 R CB -0.163 29.782 30.300 -0.592 0.000 0.864 131 R HN 0.207 nan 8.270 nan 0.000 0.440 132 R N 1.246 121.389 120.500 -0.595 0.000 2.587 132 R HA 0.319 4.903 4.340 0.406 0.000 0.283 132 R C -0.449 175.274 176.300 -0.961 0.000 1.472 132 R CA -0.191 55.261 56.100 -1.080 0.000 1.578 132 R CB 1.114 30.519 30.300 -1.491 0.000 1.130 132 R HN 0.133 nan 8.270 nan 0.000 0.602 133 M N 3.093 122.395 119.600 -0.496 0.000 3.596 133 M HA 0.213 4.937 4.480 0.406 0.000 0.219 133 M C -0.254 176.061 176.300 0.026 0.000 1.471 133 M CA 0.409 55.587 55.300 -0.204 0.000 1.644 133 M CB -0.425 32.140 32.600 -0.060 0.000 1.083 133 M HN 0.309 nan 8.290 nan 0.000 0.579 134 F N 0.533 120.379 119.950 -0.174 0.000 2.435 134 F HA 0.106 4.877 4.527 0.406 0.000 0.316 134 F C 1.307 177.046 175.800 -0.102 0.000 1.220 134 F CA -0.403 57.507 58.000 -0.149 0.000 1.241 134 F CB 0.560 39.454 39.000 -0.177 0.000 1.234 134 F HN 0.385 nan 8.300 nan 0.000 0.569 135 T N 1.215 115.817 114.554 0.079 0.000 2.995 135 T HA -0.157 4.436 4.350 0.406 0.000 0.456 135 T C -0.959 173.759 174.700 0.031 0.000 0.777 135 T CA 0.084 62.192 62.100 0.014 0.000 2.404 135 T CB -0.989 67.884 68.868 0.007 0.000 1.682 135 T HN 0.665 nan 8.240 nan 0.000 0.624 136 D N -0.110 120.304 120.400 0.024 0.000 2.744 136 D HA 0.582 5.465 4.640 0.406 0.000 0.304 136 D C -0.345 175.964 176.300 0.015 0.000 1.179 136 D CA -0.583 53.440 54.000 0.039 0.000 1.024 136 D CB 1.760 42.596 40.800 0.060 0.000 1.453 136 D HN 0.225 nan 8.370 nan 0.000 0.529 137 V N 1.467 121.392 119.914 0.018 0.000 2.508 137 V HA 0.459 4.823 4.120 0.406 0.000 0.281 137 V C 1.134 177.170 176.094 -0.098 0.000 1.041 137 V CA 0.503 62.772 62.300 -0.051 0.000 1.016 137 V CB 0.900 32.702 31.823 -0.034 0.000 0.984 137 V HN 0.702 nan 8.190 nan 0.000 0.478 138 A N 3.697 126.436 122.820 -0.135 0.000 2.063 138 A HA 0.689 5.253 4.320 0.406 0.000 0.211 138 A C 1.046 178.591 177.584 -0.065 0.000 1.177 138 A CA 0.894 52.862 52.037 -0.115 0.000 0.759 138 A CB 0.114 19.066 19.000 -0.080 0.000 0.857 138 A HN 1.381 nan 8.150 nan 0.000 0.468 139 G N -2.109 106.578 108.800 -0.189 0.000 2.345 139 G HA2 0.405 4.608 3.960 0.406 0.000 0.285 139 G HA3 0.405 4.608 3.960 0.406 0.000 0.285 139 G C -1.589 173.030 174.900 -0.467 0.000 1.297 139 G CA -0.750 44.277 45.100 -0.122 0.000 0.875 139 G HN 0.284 nan 8.290 nan 0.000 0.506 140 F N 1.298 121.340 119.950 0.152 0.000 2.565 140 F HA 0.523 5.294 4.527 0.406 0.000 0.313 140 F C 0.018 175.862 175.800 0.073 0.000 1.091 140 F CA -0.605 57.433 58.000 0.063 0.000 0.915 140 F CB 2.272 41.249 39.000 -0.037 0.000 1.208 140 F HN 0.672 nan 8.300 nan 0.000 0.453 141 D N 2.060 122.494 120.400 0.057 0.000 2.383 141 D HA 0.263 5.146 4.640 0.406 0.000 0.248 141 D C -2.158 173.909 176.300 -0.388 0.000 1.170 141 D CA -2.044 51.680 54.000 -0.460 0.000 0.977 141 D CB 0.442 41.086 40.800 -0.260 0.000 1.120 141 D HN 0.154 nan 8.370 nan 0.000 0.481 142 P HA -0.143 nan 4.420 nan 0.000 0.216 142 P C 0.385 177.624 177.300 -0.102 0.000 1.157 142 P CA 1.292 64.237 63.100 -0.257 0.000 0.880 142 P CB 0.054 31.613 31.700 -0.234 0.000 0.791 143 D N -1.905 118.445 120.400 -0.084 0.000 2.392 143 D HA 0.040 4.924 4.640 0.406 0.000 0.228 143 D C 1.535 177.856 176.300 0.034 0.000 1.003 143 D CA 1.374 55.366 54.000 -0.013 0.000 0.917 143 D CB -0.774 40.026 40.800 -0.000 0.000 0.890 143 D HN 0.217 nan 8.370 nan 0.000 0.532 144 G N 0.486 109.316 108.800 0.050 0.000 2.157 144 G HA2 -0.304 3.900 3.960 0.406 0.000 0.248 144 G HA3 -0.304 3.900 3.960 0.406 0.000 0.248 144 G C 0.100 175.148 174.900 0.247 0.000 0.979 144 G CA -0.220 44.956 45.100 0.127 0.000 0.650 144 G HN 0.390 nan 8.290 nan 0.000 0.529 145 N N -0.151 118.669 118.700 0.200 0.000 2.529 145 N HA 0.532 5.515 4.740 0.406 0.000 0.278 145 N C 0.109 175.747 175.510 0.214 0.000 1.146 145 N CA -0.626 52.564 53.050 0.234 0.000 0.980 145 N CB 1.345 39.921 38.487 0.149 0.000 1.124 145 N HN 0.304 nan 8.380 nan 0.000 0.458 146 L N 3.101 124.436 121.223 0.186 0.000 2.380 146 L HA 0.389 4.973 4.340 0.406 0.000 0.273 146 L C -0.967 175.876 176.870 -0.046 0.000 1.138 146 L CA 0.314 55.080 54.840 -0.124 0.000 0.832 146 L CB 0.166 42.245 42.059 0.034 0.000 1.124 146 L HN 0.479 nan 8.230 nan 0.000 0.454 147 I N 6.660 127.124 120.570 -0.177 0.000 2.436 147 I HA 0.395 4.809 4.170 0.406 0.000 0.289 147 I C -0.181 175.910 176.117 -0.043 0.000 1.010 147 I CA -0.636 60.654 61.300 -0.016 0.000 1.098 147 I CB 1.539 39.562 38.000 0.039 0.000 1.266 147 I HN 0.650 nan 8.210 nan 0.000 0.434 148 I N 2.075 122.692 120.570 0.077 0.000 2.750 148 I HA 0.667 5.080 4.170 0.406 0.000 0.308 148 I C -0.207 175.953 176.117 0.071 0.000 1.016 148 I CA -0.494 60.847 61.300 0.069 0.000 1.098 148 I CB 2.097 40.182 38.000 0.142 0.000 1.279 148 I HN 0.449 nan 8.210 nan 0.000 0.454 149 S N 2.357 118.060 115.700 0.004 0.000 2.449 149 S HA 0.703 5.416 4.470 0.406 0.000 0.310 149 S C -0.563 173.997 174.600 -0.066 0.000 1.096 149 S CA -0.190 57.981 58.200 -0.049 0.000 1.095 149 S CB 0.895 64.024 63.200 -0.118 0.000 1.007 149 S HN 0.936 nan 8.310 nan 0.000 0.474 150 T N 2.098 116.605 114.554 -0.079 0.000 2.957 150 T HA 0.335 4.929 4.350 0.406 0.000 0.336 150 T C -0.807 173.753 174.700 -0.232 0.000 1.462 150 T CA -0.596 61.395 62.100 -0.181 0.000 1.073 150 T CB 1.261 69.971 68.868 -0.263 0.000 1.319 150 T HN 0.734 nan 8.240 nan 0.000 0.485 151 D N 1.901 122.135 120.400 -0.276 0.000 2.369 151 D HA 0.184 5.067 4.640 0.406 0.000 0.211 151 D C 1.761 177.863 176.300 -0.329 0.000 1.077 151 D CA 0.320 54.148 54.000 -0.286 0.000 0.842 151 D CB 0.001 40.657 40.800 -0.239 0.000 0.947 151 D HN 0.529 nan 8.370 nan 0.000 0.509 152 A N 0.828 123.396 122.820 -0.421 0.000 1.997 152 A HA -0.159 4.404 4.320 0.406 0.000 0.221 152 A C 1.875 179.141 177.584 -0.530 0.000 1.172 152 A CA 1.341 53.081 52.037 -0.495 0.000 0.645 152 A CB -0.368 18.179 19.000 -0.755 0.000 0.813 152 A HN 0.192 nan 8.150 nan 0.000 0.454 153 M N -0.235 119.016 119.600 -0.582 0.000 2.475 153 M HA 0.241 4.965 4.480 0.406 0.000 0.283 153 M C -0.327 175.754 176.300 -0.365 0.000 1.165 153 M CA 0.058 55.074 55.300 -0.473 0.000 0.976 153 M CB 0.685 32.994 32.600 -0.486 0.000 1.428 153 M HN 0.217 nan 8.290 nan 0.000 0.495 154 Q N 0.003 119.586 119.800 -0.361 0.000 2.297 154 Q HA 0.482 5.066 4.340 0.406 0.000 0.268 154 Q C -1.869 173.856 176.000 -0.458 0.000 1.045 154 Q CA -1.835 53.747 55.803 -0.367 0.000 0.861 154 Q CB 0.934 29.468 28.738 -0.340 0.000 1.344 154 Q HN -0.015 nan 8.270 nan 0.000 0.452 155 P HA -0.016 nan 4.420 nan 0.000 0.225 155 P C -0.350 176.317 177.300 -1.054 0.000 1.156 155 P CA 0.962 63.565 63.100 -0.830 0.000 0.787 155 P CB 0.353 31.421 31.700 -1.054 0.000 0.802 156 F N 0.063 119.677 119.950 -0.560 0.000 2.520 156 F HA 0.237 5.008 4.527 0.405 0.000 0.322 156 F C 1.966 177.515 175.800 -0.419 0.000 1.103 156 F CA -0.772 56.892 58.000 -0.559 0.000 0.926 156 F CB 1.520 39.937 39.000 -0.972 0.000 1.154 156 F HN -0.286 nan 8.300 nan 0.000 0.453 157 S N -0.086 115.569 115.700 -0.074 0.000 2.399 157 S HA -0.166 4.547 4.470 0.406 0.000 0.231 157 S C 1.705 176.313 174.600 0.012 0.000 1.022 157 S CA 1.682 59.880 58.200 -0.003 0.000 0.983 157 S CB -0.468 62.767 63.200 0.060 0.000 0.803 157 S HN 0.561 nan 8.310 nan 0.000 0.480 158 S N 1.196 116.850 115.700 -0.076 0.000 2.481 158 S HA 0.245 4.959 4.470 0.406 0.000 0.231 158 S C 1.028 175.310 174.600 -0.531 0.000 0.996 158 S CA 0.507 58.519 58.200 -0.313 0.000 0.942 158 S CB -0.467 62.391 63.200 -0.570 0.000 0.768 158 S HN 0.535 nan 8.310 nan 0.000 0.520 159 M N 3.083 122.414 119.600 -0.448 0.000 3.700 159 M HA 0.011 4.735 4.480 0.406 0.000 0.190 159 M C 0.300 176.355 176.300 -0.409 0.000 1.422 159 M CA 0.073 55.114 55.300 -0.433 0.000 1.646 159 M CB -0.614 31.726 32.600 -0.433 0.000 1.154 159 M HN 0.111 nan 8.290 nan 0.000 0.506 160 T N -1.588 112.675 114.554 -0.485 0.000 3.462 160 T HA 0.153 4.746 4.350 0.406 0.000 0.257 160 T C 0.248 174.745 174.700 -0.339 0.000 1.015 160 T CA -0.702 61.127 62.100 -0.452 0.000 1.135 160 T CB -0.838 67.633 68.868 -0.662 0.000 1.061 160 T HN 0.353 nan 8.240 nan 0.000 0.772 161 C N 4.112 123.238 119.300 -0.289 0.000 2.657 161 C HA 0.372 5.076 4.460 0.406 0.000 0.404 161 C C 1.068 175.861 174.990 -0.328 0.000 1.291 161 C CA -0.993 57.808 59.018 -0.361 0.000 2.218 161 C CB -0.335 27.150 27.740 -0.425 0.000 2.687 161 C HN 0.776 nan 8.230 nan 0.000 0.634 162 L N 2.996 123.971 121.223 -0.413 0.000 2.331 162 L HA 0.374 4.957 4.340 0.406 0.000 0.278 162 L C -0.818 175.820 176.870 -0.386 0.000 1.106 162 L CA 0.083 54.759 54.840 -0.273 0.000 0.824 162 L CB 0.120 42.061 42.059 -0.197 0.000 1.142 162 L HN 0.640 nan 8.230 nan 0.000 0.443 163 Y N 1.755 122.054 120.300 -0.001 0.000 2.477 163 Y HA 0.426 5.220 4.550 0.406 0.000 0.347 163 Y C -0.049 175.934 175.900 0.138 0.000 0.981 163 Y CA -0.825 57.327 58.100 0.087 0.000 1.033 163 Y CB 1.964 40.502 38.460 0.130 0.000 1.245 163 Y HN 0.456 nan 8.280 nan 0.000 0.455 164 R N 2.528 123.205 120.500 0.295 0.000 2.207 164 R HA 0.567 5.151 4.340 0.406 0.000 0.334 164 R C -1.356 175.064 176.300 0.200 0.000 1.013 164 R CA -0.473 55.754 56.100 0.211 0.000 0.858 164 R CB 0.583 30.975 30.300 0.154 0.000 1.094 164 R HN 0.586 nan 8.270 nan 0.000 0.457 165 V N 4.528 124.543 119.914 0.168 0.000 2.637 165 V HA 0.103 4.466 4.120 0.406 0.000 0.296 165 V C 0.303 176.383 176.094 -0.023 0.000 1.046 165 V CA 0.392 62.701 62.300 0.015 0.000 1.066 165 V CB 1.064 32.972 31.823 0.141 0.000 0.968 165 V HN 0.824 nan 8.190 nan 0.000 0.483 166 E N 3.135 123.218 120.200 -0.194 0.000 2.317 166 E HA 0.369 4.963 4.350 0.406 0.000 0.270 166 E C -0.323 176.214 176.600 -0.106 0.000 0.885 166 E CA -0.890 55.461 56.400 -0.082 0.000 0.760 166 E CB 1.458 31.125 29.700 -0.054 0.000 1.227 166 E HN 0.750 nan 8.360 nan 0.000 0.434 167 N N 2.580 121.266 118.700 -0.024 0.000 2.696 167 N HA -0.213 4.771 4.740 0.406 0.000 0.249 167 N C -1.029 174.456 175.510 -0.042 0.000 1.090 167 N CA 1.323 54.360 53.050 -0.022 0.000 0.716 167 N CB -1.013 37.447 38.487 -0.044 0.000 1.020 167 N HN 0.727 nan 8.380 nan 0.000 0.548 168 D N -1.890 118.494 120.400 -0.027 0.000 2.746 168 D HA -0.133 4.750 4.640 0.406 0.000 0.236 168 D C 1.186 177.337 176.300 -0.249 0.000 1.129 168 D CA 2.216 56.133 54.000 -0.139 0.000 0.691 168 D CB -1.539 39.216 40.800 -0.076 0.000 1.077 168 D HN 0.875 nan 8.370 nan 0.000 0.432 169 G N -1.134 107.469 108.800 -0.328 0.000 2.179 169 G HA2 -0.327 3.876 3.960 0.406 0.000 0.220 169 G HA3 -0.327 3.876 3.960 0.406 0.000 0.220 169 G C 1.047 175.862 174.900 -0.142 0.000 0.990 169 G CA 0.168 45.064 45.100 -0.341 0.000 0.646 169 G HN 0.426 nan 8.290 nan 0.000 0.517 170 I N 0.513 121.029 120.570 -0.090 0.000 2.394 170 I HA 0.062 4.475 4.170 0.406 0.000 0.251 170 I C 1.088 177.347 176.117 0.236 0.000 1.136 170 I CA 1.594 62.955 61.300 0.102 0.000 1.425 170 I CB -0.526 37.480 38.000 0.011 0.000 1.079 170 I HN 0.415 nan 8.210 nan 0.000 0.425 171 N N -0.643 118.030 118.700 -0.045 0.000 2.331 171 N HA 0.398 5.381 4.740 0.406 0.000 0.280 171 N C -1.662 173.673 175.510 -0.293 0.000 1.155 171 N CA -0.439 52.656 53.050 0.075 0.000 0.822 171 N CB 1.525 40.059 38.487 0.078 0.000 1.619 171 N HN -0.205 nan 8.380 nan 0.000 0.476 172 F N 1.349 121.446 119.950 0.246 0.000 2.518 172 F HA 0.488 5.259 4.527 0.406 0.000 0.323 172 F C -0.436 175.520 175.800 0.259 0.000 1.129 172 F CA -0.824 57.299 58.000 0.206 0.000 0.920 172 F CB 1.838 40.898 39.000 0.100 0.000 1.160 172 F HN 0.048 nan 8.300 nan 0.000 0.440 173 V N 5.281 125.424 119.914 0.381 0.000 2.347 173 V HA 0.396 4.759 4.120 0.406 0.000 0.280 173 V C -2.105 174.149 176.094 0.267 0.000 1.021 173 V CA -2.026 60.447 62.300 0.288 0.000 0.847 173 V CB 1.383 33.310 31.823 0.175 0.000 0.990 173 V HN 0.462 nan 8.190 nan 0.000 0.444 174 P HA 0.199 nan 4.420 nan 0.000 0.271 174 P C 0.475 177.713 177.300 -0.103 0.000 1.216 174 P CA -0.046 62.975 63.100 -0.130 0.000 0.776 174 P CB 1.437 33.051 31.700 -0.142 0.000 0.881 175 L N 1.737 122.845 121.223 -0.192 0.000 2.477 175 L HA 0.068 4.652 4.340 0.406 0.000 0.220 175 L C 0.465 177.267 176.870 -0.113 0.000 1.106 175 L CA 0.334 55.118 54.840 -0.093 0.000 0.851 175 L CB -0.885 41.131 42.059 -0.071 0.000 0.994 175 L HN 0.506 nan 8.230 nan 0.000 0.462 176 N N 0.448 119.028 118.700 -0.199 0.000 2.738 176 N HA -0.206 4.777 4.740 0.406 0.000 0.249 176 N C 0.335 175.753 175.510 -0.154 0.000 1.047 176 N CA -0.034 52.925 53.050 -0.151 0.000 0.707 176 N CB -1.052 37.410 38.487 -0.040 0.000 0.937 176 N HN 0.292 nan 8.380 nan 0.000 0.545 177 L N -0.438 120.609 121.223 -0.294 0.000 2.808 177 L HA 0.328 4.911 4.340 0.406 0.000 0.246 177 L C 1.361 177.866 176.870 -0.609 0.000 1.153 177 L CA 0.301 54.921 54.840 -0.367 0.000 0.956 177 L CB 0.250 42.094 42.059 -0.359 0.000 1.270 177 L HN 0.485 nan 8.230 nan 0.000 0.528 178 G N 1.358 109.600 108.800 -0.930 0.000 2.760 178 G HA2 -0.184 4.019 3.960 0.406 0.000 0.246 178 G HA3 -0.184 4.019 3.960 0.406 0.000 0.246 178 G C -2.744 171.615 174.900 -0.901 0.000 1.359 178 G CA -0.949 43.098 45.100 -1.756 0.000 0.861 178 G HN 0.017 nan 8.290 nan 0.000 0.541 179 P HA 0.469 nan 4.420 nan 0.000 0.267 179 P C -0.131 176.992 177.300 -0.295 0.000 1.205 179 P CA 1.161 64.012 63.100 -0.414 0.000 0.765 179 P CB 1.112 32.643 31.700 -0.282 0.000 0.828 180 A N 2.656 125.330 122.820 -0.242 0.000 2.589 180 A HA 0.550 5.114 4.320 0.406 0.000 0.296 180 A C 0.668 178.192 177.584 -0.100 0.000 1.062 180 A CA -0.353 51.596 52.037 -0.146 0.000 0.686 180 A CB 0.896 19.791 19.000 -0.175 0.000 1.282 180 A HN 0.372 nan 8.150 nan 0.000 0.404 181 T N 0.322 114.871 114.554 -0.008 0.000 3.046 181 T HA 0.209 4.802 4.350 0.406 0.000 0.242 181 T C 0.199 174.770 174.700 -0.214 0.000 1.018 181 T CA 1.444 63.525 62.100 -0.032 0.000 1.131 181 T CB -0.227 68.746 68.868 0.176 0.000 0.904 181 T HN 0.736 nan 8.240 nan 0.000 0.459 182 H N -0.594 118.499 119.070 0.039 0.000 2.690 182 H HA 0.712 5.512 4.556 0.406 0.000 0.368 182 H C -1.210 174.118 175.328 0.000 0.000 1.150 182 H CA -0.839 55.231 56.048 0.036 0.000 1.174 182 H CB 2.023 31.822 29.762 0.062 0.000 1.684 182 H HN 0.105 nan 8.280 nan 0.000 0.538 183 I N 3.051 123.692 120.570 0.118 0.000 2.478 183 I HA 0.399 4.813 4.170 0.406 0.000 0.287 183 I C -1.788 174.337 176.117 0.014 0.000 1.042 183 I CA -0.280 61.020 61.300 -0.001 0.000 1.067 183 I CB 0.703 38.673 38.000 -0.051 0.000 1.233 183 I HN 0.443 nan 8.210 nan 0.000 0.431 184 L N 6.488 127.657 121.223 -0.090 0.000 2.301 184 L HA 0.625 5.209 4.340 0.406 0.000 0.264 184 L C -1.395 175.326 176.870 -0.248 0.000 1.016 184 L CA -0.809 54.032 54.840 0.001 0.000 0.821 184 L CB 1.931 44.037 42.059 0.079 0.000 1.346 184 L HN 0.446 nan 8.230 nan 0.000 0.429 185 F N 0.720 120.737 119.950 0.111 0.000 2.507 185 F HA 0.661 5.432 4.527 0.406 0.000 0.328 185 F C 0.027 175.862 175.800 0.059 0.000 1.136 185 F CA -0.554 57.501 58.000 0.092 0.000 0.930 185 F CB 2.009 41.066 39.000 0.095 0.000 1.166 185 F HN 0.366 nan 8.300 nan 0.000 0.436 186 A N 2.571 125.491 122.820 0.168 0.000 2.332 186 A HA 0.566 5.130 4.320 0.406 0.000 0.300 186 A C -0.399 177.241 177.584 0.092 0.000 1.153 186 A CA -0.722 51.360 52.037 0.075 0.000 0.764 186 A CB 0.425 19.432 19.000 0.012 0.000 1.174 186 A HN 0.859 nan 8.150 nan 0.000 0.467 187 D N 2.161 122.614 120.400 0.089 0.000 2.686 187 D HA -0.229 4.654 4.640 0.406 0.000 0.235 187 D C 1.106 177.477 176.300 0.117 0.000 1.160 187 D CA 2.108 56.177 54.000 0.115 0.000 0.645 187 D CB -1.255 39.631 40.800 0.144 0.000 1.039 187 D HN 1.986 nan 8.370 nan 0.000 0.423 188 G N -0.008 108.881 108.800 0.149 0.000 2.168 188 G HA2 -0.372 3.831 3.960 0.406 0.000 0.263 188 G HA3 -0.372 3.831 3.960 0.406 0.000 0.263 188 G C 0.263 175.267 174.900 0.173 0.000 0.977 188 G CA 0.576 45.774 45.100 0.164 0.000 0.659 188 G HN 0.541 nan 8.290 nan 0.000 0.533 189 R N 0.179 120.769 120.500 0.150 0.000 2.393 189 R HA 0.508 5.092 4.340 0.406 0.000 0.310 189 R C 0.174 176.497 176.300 0.039 0.000 0.968 189 R CA -0.916 55.225 56.100 0.070 0.000 0.867 189 R CB 1.280 31.594 30.300 0.023 0.000 1.124 189 R HN 0.214 nan 8.270 nan 0.000 0.450 190 R N 1.729 122.215 120.500 -0.022 0.000 2.298 190 R HA 0.217 4.800 4.340 0.406 0.000 0.310 190 R C -0.389 175.900 176.300 -0.017 0.000 1.068 190 R CA -0.379 55.626 56.100 -0.158 0.000 0.957 190 R CB 0.924 31.246 30.300 0.037 0.000 1.003 190 R HN 0.249 nan 8.270 nan 0.000 0.454 191 V N 5.607 125.459 119.914 -0.103 0.000 2.347 191 V HA 0.278 4.641 4.120 0.406 0.000 0.280 191 V C 0.182 176.306 176.094 0.049 0.000 1.021 191 V CA -0.711 61.614 62.300 0.041 0.000 0.847 191 V CB 1.418 33.257 31.823 0.027 0.000 0.990 191 V HN 0.559 nan 8.190 nan 0.000 0.444 192 I N 4.181 124.843 120.570 0.154 0.000 2.336 192 I HA 0.510 4.924 4.170 0.406 0.000 0.292 192 I C 0.819 177.016 176.117 0.133 0.000 0.991 192 I CA -0.140 61.215 61.300 0.091 0.000 1.227 192 I CB 1.445 39.450 38.000 0.010 0.000 1.366 192 I HN 0.686 nan 8.210 nan 0.000 0.466 193 G N 6.781 115.648 108.800 0.111 0.000 2.522 193 G HA2 0.522 4.726 3.960 0.406 0.000 0.318 193 G HA3 0.522 4.726 3.960 0.406 0.000 0.318 193 G C -0.150 174.820 174.900 0.117 0.000 1.192 193 G CA -0.650 44.529 45.100 0.132 0.000 0.988 193 G HN 0.499 nan 8.290 nan 0.000 0.480 194 R N 1.986 122.546 120.500 0.101 0.000 2.297 194 R HA 0.218 4.801 4.340 0.406 0.000 0.308 194 R C 0.377 176.717 176.300 0.067 0.000 1.029 194 R CA -0.431 55.719 56.100 0.083 0.000 0.929 194 R CB 0.773 31.128 30.300 0.091 0.000 1.046 194 R HN 0.814 nan 8.270 nan 0.000 0.461 195 N N -0.033 118.711 118.700 0.073 0.000 2.708 195 N HA -0.209 4.774 4.740 0.406 0.000 0.249 195 N C 0.009 175.241 175.510 -0.464 0.000 1.097 195 N CA 1.013 53.960 53.050 -0.172 0.000 0.710 195 N CB -0.851 37.658 38.487 0.036 0.000 1.032 195 N HN 0.731 nan 8.380 nan 0.000 0.551 196 T N -2.375 112.084 114.554 -0.158 0.000 3.272 196 T HA 0.184 4.777 4.350 0.406 0.000 0.250 196 T C 0.511 175.272 174.700 0.101 0.000 1.082 196 T CA -0.427 61.636 62.100 -0.061 0.000 0.968 196 T CB -0.666 68.246 68.868 0.074 0.000 1.015 196 T HN 0.361 nan 8.240 nan 0.000 0.563 197 F N 0.661 120.876 119.950 0.443 0.000 2.399 197 F HA 0.659 5.430 4.527 0.406 0.000 0.313 197 F C 0.470 176.546 175.800 0.460 0.000 1.202 197 F CA -1.758 56.499 58.000 0.429 0.000 1.192 197 F CB 0.322 39.536 39.000 0.357 0.000 1.256 197 F HN -0.176 nan 8.300 nan 0.000 0.558 198 E N 0.912 121.496 120.200 0.640 0.000 2.390 198 E HA 0.277 4.871 4.350 0.406 0.000 0.261 198 E C -0.535 176.368 176.600 0.506 0.000 1.076 198 E CA -0.115 56.593 56.400 0.514 0.000 0.905 198 E CB 1.182 31.132 29.700 0.417 0.000 0.984 198 E HN 0.635 nan 8.360 nan 0.000 0.427 199 L N 3.869 125.282 121.223 0.316 0.000 2.529 199 L HA 0.179 4.762 4.340 0.406 0.000 0.246 199 L C -1.577 175.293 176.870 0.000 0.000 1.394 199 L CA -1.240 53.656 54.840 0.093 0.000 0.906 199 L CB 1.373 43.305 42.059 -0.211 0.000 1.170 199 L HN 0.244 nan 8.230 nan 0.000 0.501 200 P HA -0.169 nan 4.420 nan 0.000 0.223 200 P C 1.044 178.380 177.300 0.060 0.000 1.151 200 P CA 1.240 64.385 63.100 0.075 0.000 0.787 200 P CB -0.020 31.762 31.700 0.137 0.000 0.788 201 H N -4.293 114.858 119.070 0.135 0.000 2.548 201 H HA 0.031 4.831 4.556 0.406 0.000 0.268 201 H C -0.074 175.393 175.328 0.232 0.000 0.975 201 H CA 0.050 56.186 56.048 0.147 0.000 1.195 201 H CB -0.392 29.474 29.762 0.174 0.000 1.397 201 H HN 0.162 nan 8.280 nan 0.000 0.572 202 W N 2.980 124.051 121.300 -0.382 0.000 2.387 202 W HA 0.376 5.280 4.660 0.407 0.000 0.285 202 W C -1.036 175.430 176.519 -0.088 0.000 1.011 202 W CA -1.904 55.326 57.345 -0.191 0.000 1.576 202 W CB 0.570 29.871 29.460 -0.265 0.000 1.540 202 W HN -0.151 nan 8.180 nan 0.000 0.383 203 K N 1.262 121.811 120.400 0.249 0.000 2.326 203 K HA 0.439 5.003 4.320 0.406 0.000 0.275 203 K C 1.119 177.856 176.600 0.228 0.000 1.018 203 K CA 0.813 57.185 56.287 0.142 0.000 0.962 203 K CB 0.722 33.204 32.500 -0.031 0.000 0.953 203 K HN 0.584 nan 8.250 nan 0.000 0.475 204 G N 1.842 110.755 108.800 0.188 0.000 2.153 204 G HA2 -0.321 3.883 3.960 0.406 0.000 0.252 204 G HA3 -0.321 3.883 3.960 0.406 0.000 0.252 204 G C -0.268 174.621 174.900 -0.019 0.000 0.994 204 G CA 0.220 45.396 45.100 0.126 0.000 0.698 204 G HN 0.661 nan 8.290 nan 0.000 0.521 205 Y N 1.064 121.149 120.300 -0.358 0.000 2.717 205 Y HA 0.373 5.167 4.550 0.406 0.000 0.330 205 Y C 1.289 176.926 175.900 -0.438 0.000 1.217 205 Y CA 0.171 57.776 58.100 -0.825 0.000 1.506 205 Y CB 0.396 38.185 38.460 -1.118 0.000 1.268 205 Y HN 0.228 nan 8.280 nan 0.000 0.561 206 R N 3.998 123.888 120.500 -1.016 0.000 2.616 206 R HA 0.285 4.869 4.340 0.406 0.000 0.427 206 R C 0.557 176.333 176.300 -0.873 0.000 1.030 206 R CA 0.074 55.734 56.100 -0.734 0.000 1.133 206 R CB 0.554 30.686 30.300 -0.280 0.000 1.444 206 R HN 0.808 nan 8.270 nan 0.000 0.578 207 G N -0.726 107.072 108.800 -1.671 0.000 2.580 207 G HA2 0.284 4.487 3.960 0.406 0.000 0.278 207 G HA3 0.284 4.487 3.960 0.406 0.000 0.278 207 G C 1.008 175.607 174.900 -0.501 0.000 1.212 207 G CA -0.223 44.346 45.100 -0.884 0.000 0.939 207 G HN 0.171 nan 8.290 nan 0.000 0.513 208 G N -1.241 107.418 108.800 -0.234 0.000 2.479 208 G HA2 -0.105 4.099 3.960 0.406 0.000 0.220 208 G HA3 -0.105 4.099 3.960 0.406 0.000 0.220 208 G C 1.229 176.108 174.900 -0.035 0.000 1.115 208 G CA 1.499 46.512 45.100 -0.146 0.000 0.757 208 G HN 0.616 nan 8.290 nan 0.000 0.560 209 T N 0.618 115.275 114.554 0.171 0.000 3.163 209 T HA 0.169 4.762 4.350 0.406 0.000 0.252 209 T C 0.965 175.856 174.700 0.320 0.000 1.056 209 T CA -0.600 61.639 62.100 0.231 0.000 0.947 209 T CB 0.010 69.151 68.868 0.456 0.000 1.016 209 T HN 0.563 nan 8.240 nan 0.000 0.554 210 R N 1.505 122.155 120.500 0.249 0.000 2.570 210 R HA 0.385 4.969 4.340 0.406 0.000 0.277 210 R C 0.578 177.004 176.300 0.211 0.000 1.039 210 R CA -0.445 55.828 56.100 0.288 0.000 1.065 210 R CB 0.008 30.272 30.300 -0.061 0.000 0.964 210 R HN 0.113 nan 8.270 nan 0.000 0.428 211 G N 2.823 111.834 108.800 0.352 0.000 2.224 211 G HA2 0.020 4.224 3.960 0.406 0.000 0.239 211 G HA3 0.020 4.224 3.960 0.406 0.000 0.239 211 G C -0.634 174.196 174.900 -0.117 0.000 1.240 211 G CA -0.321 44.758 45.100 -0.034 0.000 0.896 211 G HN 0.640 nan 8.290 nan 0.000 0.496 212 K N 1.131 121.500 120.400 -0.052 0.000 2.482 212 K HA 0.572 5.135 4.320 0.406 0.000 0.257 212 K C -0.771 175.842 176.600 0.021 0.000 0.969 212 K CA -0.833 55.421 56.287 -0.055 0.000 0.842 212 K CB 2.567 35.093 32.500 0.043 0.000 1.359 212 K HN 0.374 nan 8.250 nan 0.000 0.441 213 I N 0.747 121.292 120.570 -0.041 0.000 2.569 213 I HA 0.454 4.867 4.170 0.406 0.000 0.296 213 I C -1.244 174.937 176.117 0.107 0.000 1.028 213 I CA -0.789 60.551 61.300 0.066 0.000 1.082 213 I CB 1.326 39.302 38.000 -0.040 0.000 1.264 213 I HN 0.440 nan 8.210 nan 0.000 0.429 214 W N 5.715 127.039 121.300 0.039 0.000 2.882 214 W HA 0.761 5.664 4.660 0.406 0.000 0.345 214 W C -0.755 175.864 176.519 0.165 0.000 1.125 214 W CA -0.541 56.875 57.345 0.119 0.000 1.167 214 W CB 1.480 31.045 29.460 0.174 0.000 1.431 214 W HN 0.169 nan 8.180 nan 0.000 0.543 215 I N 0.977 121.797 120.570 0.417 0.000 2.802 215 I HA 0.256 4.669 4.170 0.406 0.000 0.298 215 I C -0.564 175.582 176.117 0.048 0.000 1.176 215 I CA -0.944 60.491 61.300 0.224 0.000 1.025 215 I CB 1.941 39.999 38.000 0.098 0.000 1.243 215 I HN 0.421 nan 8.210 nan 0.000 0.424 216 E N 4.221 124.266 120.200 -0.257 0.000 2.354 216 E HA 0.248 4.842 4.350 0.406 0.000 0.269 216 E C 0.135 176.559 176.600 -0.294 0.000 1.036 216 E CA -0.146 55.825 56.400 -0.714 0.000 0.876 216 E CB 1.200 30.455 29.700 -0.741 0.000 1.009 216 E HN 0.501 nan 8.360 nan 0.000 0.416 217 V N 0.712 120.471 119.914 -0.258 0.000 3.562 217 V HA 0.334 4.698 4.120 0.406 0.000 0.270 217 V C 0.050 176.084 176.094 -0.099 0.000 1.418 217 V CA 0.025 62.254 62.300 -0.118 0.000 1.033 217 V CB 0.234 32.016 31.823 -0.068 0.000 0.820 217 V HN 0.603 nan 8.190 nan 0.000 0.441 218 N N 1.313 119.932 118.700 -0.134 0.000 2.827 218 N HA 0.164 5.147 4.740 0.406 0.000 0.240 218 N C 0.266 175.736 175.510 -0.067 0.000 1.352 218 N CA 0.536 53.539 53.050 -0.077 0.000 0.760 218 N CB 0.887 39.340 38.487 -0.056 0.000 1.426 218 N HN 0.488 nan 8.380 nan 0.000 0.561 219 S N 1.047 116.718 115.700 -0.048 0.000 3.217 219 S HA -0.149 4.564 4.470 0.406 0.000 0.324 219 S C 1.186 175.808 174.600 0.036 0.000 0.758 219 S CA 1.249 59.449 58.200 -0.001 0.000 1.284 219 S CB -1.738 61.480 63.200 0.030 0.000 0.799 219 S HN 1.313 nan 8.310 nan 0.000 0.409 220 G N -1.146 107.661 108.800 0.011 0.000 3.465 220 G HA2 0.355 4.558 3.960 0.406 0.000 0.219 220 G HA3 0.355 4.558 3.960 0.406 0.000 0.219 220 G C 0.089 175.099 174.900 0.184 0.000 0.984 220 G CA -0.134 45.067 45.100 0.168 0.000 0.864 220 G HN 1.705 nan 8.290 nan 0.000 0.485 221 A N 0.591 123.385 122.820 -0.044 0.000 2.328 221 A HA 0.787 5.351 4.320 0.406 0.000 0.284 221 A C -0.880 176.620 177.584 -0.139 0.000 1.160 221 A CA 0.031 52.007 52.037 -0.102 0.000 0.818 221 A CB 0.237 19.155 19.000 -0.138 0.000 1.087 221 A HN 0.407 nan 8.150 nan 0.000 0.504 222 F N 1.121 121.193 119.950 0.203 0.000 2.546 222 F HA 0.627 5.397 4.527 0.406 0.000 0.320 222 F C 0.374 176.478 175.800 0.508 0.000 1.076 222 F CA -0.431 57.818 58.000 0.415 0.000 0.928 222 F CB 2.425 41.740 39.000 0.524 0.000 1.189 222 F HN 0.573 nan 8.300 nan 0.000 0.465 223 K N 2.871 123.609 120.400 0.564 0.000 2.482 223 K HA 0.334 4.897 4.320 0.406 0.000 0.251 223 K C -1.258 175.302 176.600 -0.065 0.000 0.936 223 K CA -0.850 55.592 56.287 0.258 0.000 0.791 223 K CB 1.956 34.502 32.500 0.077 0.000 1.213 223 K HN 0.686 nan 8.250 nan 0.000 0.428 224 K N 5.497 125.397 120.400 -0.834 0.000 2.383 224 K HA 0.105 4.669 4.320 0.406 0.000 0.286 224 K C 0.860 177.141 176.600 -0.530 0.000 1.051 224 K CA -0.021 55.505 56.287 -1.270 0.000 0.974 224 K CB 0.290 31.740 32.500 -1.749 0.000 0.968 224 K HN 0.705 nan 8.250 nan 0.000 0.475 225 I N 0.832 121.195 120.570 -0.346 0.000 4.323 225 I HA 0.169 4.582 4.170 0.406 0.000 0.328 225 I C -0.647 175.360 176.117 -0.182 0.000 1.310 225 I CA -0.530 60.656 61.300 -0.190 0.000 1.186 225 I CB 1.024 38.975 38.000 -0.082 0.000 1.130 225 I HN 0.074 nan 8.210 nan 0.000 0.411 226 V N 2.853 122.627 119.914 -0.233 0.000 2.447 226 V HA 0.477 4.840 4.120 0.406 0.000 0.292 226 V C -1.436 174.486 176.094 -0.286 0.000 1.021 226 V CA -0.237 61.904 62.300 -0.265 0.000 0.850 226 V CB 1.462 33.069 31.823 -0.359 0.000 1.005 226 V HN 0.240 nan 8.190 nan 0.000 0.426 227 D N 5.161 125.409 120.400 -0.253 0.000 2.586 227 D HA 0.372 5.255 4.640 0.406 0.000 0.254 227 D C -0.341 175.845 176.300 -0.191 0.000 1.248 227 D CA -0.234 53.634 54.000 -0.219 0.000 0.843 227 D CB 0.889 41.564 40.800 -0.208 0.000 1.332 227 D HN 0.388 nan 8.370 nan 0.000 0.523 228 M N 0.141 119.611 119.600 -0.217 0.000 2.219 228 M HA 0.167 4.890 4.480 0.406 0.000 0.280 228 M C 1.884 178.091 176.300 -0.156 0.000 1.189 228 M CA -0.329 54.861 55.300 -0.183 0.000 1.010 228 M CB 1.057 33.525 32.600 -0.221 0.000 1.422 228 M HN 0.141 nan 8.290 nan 0.000 0.504 229 S N -0.541 115.082 115.700 -0.129 0.000 2.382 229 S HA -0.073 4.640 4.470 0.406 0.000 0.228 229 S C 0.809 175.323 174.600 -0.144 0.000 1.027 229 S CA 1.586 59.720 58.200 -0.109 0.000 0.991 229 S CB -0.268 62.886 63.200 -0.076 0.000 0.823 229 S HN 0.837 nan 8.310 nan 0.000 0.469 230 T N -1.199 113.269 114.554 -0.143 0.000 2.922 230 T HA 0.442 5.035 4.350 0.406 0.000 0.281 230 T C -0.233 174.399 174.700 -0.113 0.000 1.005 230 T CA -0.693 61.327 62.100 -0.134 0.000 0.982 230 T CB 0.685 69.509 68.868 -0.073 0.000 1.158 230 T HN 0.357 nan 8.240 nan 0.000 0.566 231 H N -0.558 118.427 119.070 -0.142 0.000 2.886 231 H HA 0.478 5.278 4.556 0.406 0.000 0.329 231 H C -0.859 174.421 175.328 -0.080 0.000 1.044 231 H CA -0.072 55.931 56.048 -0.076 0.000 1.456 231 H CB 0.114 29.910 29.762 0.056 0.000 1.464 231 H HN 0.467 nan 8.280 nan 0.000 0.573 232 V N 5.702 125.199 119.914 -0.694 0.000 2.459 232 V HA 0.404 4.768 4.120 0.406 0.000 0.295 232 V C -0.295 175.389 176.094 -0.683 0.000 1.029 232 V CA -0.078 61.871 62.300 -0.584 0.000 0.874 232 V CB 1.365 32.815 31.823 -0.622 0.000 0.985 232 V HN 1.037 nan 8.190 nan 0.000 0.438 233 S N 2.116 117.625 115.700 -0.318 0.000 2.667 233 S HA 0.641 5.355 4.470 0.406 0.000 0.292 233 S C -0.136 174.459 174.600 -0.008 0.000 1.126 233 S CA -0.370 57.747 58.200 -0.138 0.000 0.881 233 S CB 1.778 65.011 63.200 0.055 0.000 1.132 233 S HN 0.992 nan 8.310 nan 0.000 0.492 234 S N 1.876 117.559 115.700 -0.029 0.000 3.405 234 S HA -0.075 4.638 4.470 0.406 0.000 0.373 234 S C -2.263 172.273 174.600 -0.106 0.000 0.939 234 S CA 0.654 58.796 58.200 -0.096 0.000 1.295 234 S CB -1.823 61.424 63.200 0.078 0.000 0.919 234 S HN 0.779 nan 8.310 nan 0.000 0.535 235 P HA 0.532 nan 4.420 nan 0.000 0.278 235 P C -0.110 177.194 177.300 0.006 0.000 1.238 235 P CA -0.321 62.762 63.100 -0.028 0.000 0.794 235 P CB 1.382 33.052 31.700 -0.051 0.000 0.955 236 V N 0.046 120.038 119.914 0.131 0.000 3.178 236 V HA 0.606 4.969 4.120 0.406 0.000 0.302 236 V C -0.829 175.394 176.094 0.214 0.000 1.262 236 V CA -1.051 61.341 62.300 0.153 0.000 1.030 236 V CB 2.150 34.058 31.823 0.141 0.000 1.074 236 V HN 0.334 nan 8.190 nan 0.000 0.438 237 I N 1.883 122.562 120.570 0.181 0.000 2.418 237 I HA 0.639 5.053 4.170 0.406 0.000 0.287 237 I C -1.076 175.128 176.117 0.146 0.000 1.008 237 I CA -0.911 60.503 61.300 0.190 0.000 1.104 237 I CB 2.123 40.197 38.000 0.124 0.000 1.264 237 I HN 0.477 nan 8.210 nan 0.000 0.438 238 V N 6.070 126.102 119.914 0.196 0.000 2.409 238 V HA 0.702 5.065 4.120 0.406 0.000 0.290 238 V C 0.712 176.901 176.094 0.159 0.000 1.017 238 V CA 0.185 62.537 62.300 0.086 0.000 0.841 238 V CB 0.714 32.470 31.823 -0.113 0.000 1.003 238 V HN 1.124 nan 8.190 nan 0.000 0.426 239 G N 4.646 113.503 108.800 0.095 0.000 2.559 239 G HA2 -0.290 3.914 3.960 0.406 0.000 0.282 239 G HA3 -0.290 3.914 3.960 0.406 0.000 0.282 239 G C 0.148 175.075 174.900 0.046 0.000 1.177 239 G CA 0.705 45.888 45.100 0.139 0.000 0.960 239 G HN 0.842 nan 8.290 nan 0.000 0.540 240 H N 1.610 120.750 119.070 0.117 0.000 2.505 240 H HA 0.571 5.371 4.556 0.406 0.000 0.260 240 H C 0.643 176.030 175.328 0.099 0.000 1.168 240 H CA -0.097 56.010 56.048 0.099 0.000 0.945 240 H CB 0.395 30.201 29.762 0.073 0.000 1.800 240 H HN 0.427 nan 8.280 nan 0.000 0.586 241 R N 0.464 121.069 120.500 0.175 0.000 2.673 241 R HA 0.501 5.085 4.340 0.406 0.000 0.281 241 R C -0.957 175.415 176.300 0.120 0.000 0.991 241 R CA -0.865 55.293 56.100 0.097 0.000 0.896 241 R CB 2.555 32.864 30.300 0.014 0.000 1.201 241 R HN 0.115 nan 8.270 nan 0.000 0.457 242 I N 2.975 123.556 120.570 0.019 0.000 2.321 242 I HA 0.287 4.700 4.170 0.406 0.000 0.291 242 I C -0.841 175.240 176.117 -0.060 0.000 0.998 242 I CA -0.607 60.765 61.300 0.120 0.000 1.227 242 I CB 0.636 38.749 38.000 0.187 0.000 1.368 242 I HN 0.358 nan 8.210 nan 0.000 0.466 243 Y N 6.843 127.139 120.300 -0.007 0.000 2.360 243 Y HA 0.621 5.415 4.550 0.406 0.000 0.337 243 Y C -0.086 175.749 175.900 -0.109 0.000 1.039 243 Y CA -0.762 57.217 58.100 -0.202 0.000 1.109 243 Y CB 1.293 39.666 38.460 -0.144 0.000 1.201 243 Y HN 0.438 nan 8.280 nan 0.000 0.458 244 F N -0.068 119.941 119.950 0.098 0.000 2.754 244 F HA 0.831 5.601 4.527 0.406 0.000 0.320 244 F C -1.650 174.180 175.800 0.050 0.000 1.156 244 F CA -2.004 56.014 58.000 0.031 0.000 0.950 244 F CB 0.930 39.907 39.000 -0.039 0.000 1.388 244 F HN 0.164 nan 8.300 nan 0.000 0.485 245 I N 0.640 121.416 120.570 0.343 0.000 2.562 245 I HA 0.727 5.141 4.170 0.406 0.000 0.301 245 I C -0.319 175.952 176.117 0.256 0.000 1.003 245 I CA -0.617 60.832 61.300 0.248 0.000 1.127 245 I CB 2.189 40.281 38.000 0.154 0.000 1.304 245 I HN 0.866 nan 8.210 nan 0.000 0.446 246 T N 1.650 116.327 114.554 0.205 0.000 2.775 246 T HA 0.223 4.817 4.350 0.406 0.000 0.320 246 T C -1.862 172.880 174.700 0.069 0.000 1.597 246 T CA -0.663 61.484 62.100 0.078 0.000 1.022 246 T CB 1.321 70.153 68.868 -0.060 0.000 1.485 246 T HN 0.760 nan 8.240 nan 0.000 0.494 247 D N 2.376 122.803 120.400 0.045 0.000 2.891 247 D HA 0.180 5.064 4.640 0.406 0.000 0.312 247 D C 1.231 177.556 176.300 0.041 0.000 1.354 247 D CA -0.439 53.587 54.000 0.042 0.000 0.838 247 D CB -0.163 40.682 40.800 0.075 0.000 1.117 247 D HN 0.364 nan 8.370 nan 0.000 0.473 248 I N 0.633 121.187 120.570 -0.028 0.000 2.335 248 I HA -0.228 4.185 4.170 0.406 0.000 0.251 248 I C 0.735 176.867 176.117 0.024 0.000 1.129 248 I CA 1.514 62.787 61.300 -0.046 0.000 1.402 248 I CB 0.201 38.106 38.000 -0.158 0.000 1.069 248 I HN -0.084 nan 8.210 nan 0.000 0.424 249 D N -0.137 120.312 120.400 0.082 0.000 2.339 249 D HA 0.232 5.116 4.640 0.406 0.000 0.217 249 D C 1.657 178.022 176.300 0.109 0.000 1.050 249 D CA 0.991 55.052 54.000 0.102 0.000 0.856 249 D CB 0.570 41.453 40.800 0.139 0.000 0.922 249 D HN 0.488 nan 8.370 nan 0.000 0.518 250 G N -0.070 108.806 108.800 0.126 0.000 2.284 250 G HA2 -0.183 4.020 3.960 0.406 0.000 0.201 250 G HA3 -0.183 4.020 3.960 0.406 0.000 0.201 250 G C 0.043 175.098 174.900 0.258 0.000 0.998 250 G CA -0.355 44.849 45.100 0.172 0.000 0.651 250 G HN 0.281 nan 8.290 nan 0.000 0.489 251 F N 0.776 120.698 119.950 -0.047 0.000 2.654 251 F HA 0.604 5.375 4.527 0.406 0.000 0.308 251 F C 0.479 175.987 175.800 -0.487 0.000 1.108 251 F CA -0.100 57.726 58.000 -0.291 0.000 0.957 251 F CB 1.413 40.318 39.000 -0.159 0.000 1.309 251 F HN 0.382 nan 8.300 nan 0.000 0.446 252 G N 3.539 111.421 108.800 -1.530 0.000 2.365 252 G HA2 0.484 4.687 3.960 0.406 0.000 0.249 252 G HA3 0.484 4.687 3.960 0.406 0.000 0.249 252 G C -1.194 173.667 174.900 -0.065 0.000 1.288 252 G CA -0.118 44.556 45.100 -0.710 0.000 0.887 252 G HN 0.433 nan 8.290 nan 0.000 0.524 253 Q N 0.806 120.654 119.800 0.080 0.000 2.511 253 Q HA 0.379 4.962 4.340 0.406 0.000 0.289 253 Q C -0.478 175.542 176.000 0.033 0.000 1.021 253 Q CA -0.723 55.097 55.803 0.029 0.000 0.785 253 Q CB 2.414 31.098 28.738 -0.091 0.000 1.472 253 Q HN 0.544 nan 8.270 nan 0.000 0.411 254 I N 1.470 121.909 120.570 -0.218 0.000 2.396 254 I HA 0.354 4.767 4.170 0.406 0.000 0.292 254 I C -0.707 175.228 176.117 -0.303 0.000 0.999 254 I CA -0.321 60.839 61.300 -0.233 0.000 1.310 254 I CB 0.479 38.202 38.000 -0.462 0.000 1.404 254 I HN 0.441 nan 8.210 nan 0.000 0.496 255 Y N 2.757 122.822 120.300 -0.392 0.000 2.705 255 Y HA 0.638 5.431 4.550 0.406 0.000 0.332 255 Y C 0.069 175.455 175.900 -0.856 0.000 1.157 255 Y CA -0.723 57.115 58.100 -0.436 0.000 1.091 255 Y CB 2.069 40.265 38.460 -0.440 0.000 1.301 255 Y HN 0.588 nan 8.280 nan 0.000 0.488 256 S N -0.678 114.730 115.700 -0.486 0.000 2.587 256 S HA 0.816 5.529 4.470 0.406 0.000 0.269 256 S C -1.025 173.432 174.600 -0.239 0.000 1.154 256 S CA -0.359 57.427 58.200 -0.690 0.000 0.824 256 S CB 1.827 64.281 63.200 -1.243 0.000 1.118 256 S HN 1.056 nan 8.310 nan 0.000 0.462 257 T N -1.591 112.884 114.554 -0.132 0.000 2.787 257 T HA 0.710 5.303 4.350 0.406 0.000 0.297 257 T C -1.223 173.480 174.700 0.004 0.000 1.221 257 T CA -0.530 61.578 62.100 0.013 0.000 1.006 257 T CB 0.859 69.804 68.868 0.128 0.000 1.328 257 T HN 0.841 nan 8.240 nan 0.000 0.509 258 D N 0.476 120.895 120.400 0.033 0.000 2.414 258 D HA 0.258 5.142 4.640 0.406 0.000 0.251 258 D C 1.186 177.525 176.300 0.065 0.000 1.252 258 D CA -0.960 53.073 54.000 0.055 0.000 0.999 258 D CB 0.178 41.011 40.800 0.056 0.000 1.093 258 D HN 0.529 nan 8.370 nan 0.000 0.515 259 L N -0.443 120.829 121.223 0.082 0.000 2.786 259 L HA 0.034 4.618 4.340 0.406 0.000 0.250 259 L C 0.281 177.180 176.870 0.048 0.000 1.151 259 L CA 0.650 55.533 54.840 0.073 0.000 0.910 259 L CB -0.610 41.503 42.059 0.090 0.000 1.082 259 L HN 0.356 nan 8.230 nan 0.000 0.433 260 D N -0.473 119.949 120.400 0.036 0.000 2.520 260 D HA 0.137 5.020 4.640 0.406 0.000 0.223 260 D C 1.528 177.826 176.300 -0.003 0.000 1.186 260 D CA 0.787 54.795 54.000 0.012 0.000 0.821 260 D CB 1.305 42.111 40.800 0.010 0.000 1.072 260 D HN 0.269 nan 8.370 nan 0.000 0.518 261 G N 1.698 110.505 108.800 0.013 0.000 2.184 261 G HA2 -0.269 3.935 3.960 0.406 0.000 0.264 261 G HA3 -0.269 3.935 3.960 0.406 0.000 0.264 261 G C 0.521 175.427 174.900 0.011 0.000 0.975 261 G CA 0.304 45.408 45.100 0.006 0.000 0.642 261 G HN 0.144 nan 8.290 nan 0.000 0.536 262 K N 0.354 120.763 120.400 0.014 0.000 2.109 262 K HA 0.506 5.069 4.320 0.406 0.000 0.243 262 K C 0.487 177.100 176.600 0.022 0.000 1.006 262 K CA -0.153 56.141 56.287 0.011 0.000 0.917 262 K CB 0.470 32.973 32.500 0.005 0.000 1.081 262 K HN 0.194 nan 8.250 nan 0.000 0.468 263 D N 0.768 121.178 120.400 0.016 0.000 2.848 263 D HA -0.170 4.713 4.640 0.406 0.000 0.245 263 D C -0.968 175.346 176.300 0.023 0.000 1.122 263 D CA 0.173 54.182 54.000 0.015 0.000 0.769 263 D CB -0.849 39.959 40.800 0.013 0.000 1.025 263 D HN 0.377 nan 8.370 nan 0.000 0.423 264 L N 1.428 122.675 121.223 0.039 0.000 2.439 264 L HA 0.496 5.080 4.340 0.406 0.000 0.269 264 L C 0.333 177.232 176.870 0.048 0.000 1.179 264 L CA 0.614 55.501 54.840 0.077 0.000 0.828 264 L CB 0.586 42.710 42.059 0.107 0.000 1.106 264 L HN 0.289 nan 8.230 nan 0.000 0.467 265 R N 3.236 123.764 120.500 0.047 0.000 2.626 265 R HA 0.385 4.969 4.340 0.406 0.000 0.274 265 R C -1.361 174.791 176.300 -0.246 0.000 1.031 265 R CA -0.994 55.031 56.100 -0.125 0.000 0.898 265 R CB 1.750 31.897 30.300 -0.256 0.000 1.222 265 R HN 0.532 nan 8.270 nan 0.000 0.455 266 K N 1.463 121.585 120.400 -0.462 0.000 2.240 266 K HA 0.249 4.812 4.320 0.406 0.000 0.271 266 K C -0.334 175.886 176.600 -0.634 0.000 1.018 266 K CA -0.342 55.477 56.287 -0.781 0.000 0.874 266 K CB 0.661 32.781 32.500 -0.634 0.000 1.098 266 K HN 0.645 nan 8.250 nan 0.000 0.458 267 H N 0.657 119.407 119.070 -0.532 0.000 2.705 267 H HA 0.113 4.913 4.556 0.406 0.000 0.269 267 H C -0.173 174.878 175.328 -0.463 0.000 0.998 267 H CA 0.305 56.133 56.048 -0.367 0.000 1.193 267 H CB 0.959 30.527 29.762 -0.323 0.000 1.485 267 H HN 0.673 nan 8.280 nan 0.000 0.521 268 T N -3.117 111.123 114.554 -0.523 0.000 2.883 268 T HA 0.574 5.168 4.350 0.406 0.000 0.296 268 T C 0.097 174.382 174.700 -0.692 0.000 1.117 268 T CA -0.956 60.687 62.100 -0.762 0.000 1.006 268 T CB 2.103 70.151 68.868 -1.367 0.000 1.191 268 T HN -0.096 nan 8.240 nan 0.000 0.508 269 S N 0.468 115.733 115.700 -0.725 0.000 2.794 269 S HA 0.370 5.083 4.470 0.406 0.000 0.244 269 S C -0.278 174.130 174.600 -0.320 0.000 1.045 269 S CA -0.799 57.149 58.200 -0.420 0.000 1.114 269 S CB -0.587 62.453 63.200 -0.266 0.000 1.085 269 S HN 0.613 nan 8.310 nan 0.000 0.488 270 F N 2.006 121.893 119.950 -0.105 0.000 2.586 270 F HA 0.128 4.899 4.527 0.406 0.000 0.344 270 F C 2.009 177.580 175.800 -0.382 0.000 1.188 270 F CA 0.572 58.509 58.000 -0.104 0.000 1.359 270 F CB 0.613 39.657 39.000 0.073 0.000 1.129 270 F HN 0.293 nan 8.300 nan 0.000 0.609 271 T N -4.535 109.841 114.554 -0.297 0.000 3.191 271 T HA 0.021 4.614 4.350 0.406 0.000 0.285 271 T C 0.659 174.987 174.700 -0.619 0.000 0.887 271 T CA 0.182 61.789 62.100 -0.821 0.000 0.881 271 T CB -0.161 68.440 68.868 -0.445 0.000 1.217 271 T HN 0.570 nan 8.240 nan 0.000 0.591 272 D N 1.026 121.290 120.400 -0.227 0.000 2.214 272 D HA 0.116 4.999 4.640 0.406 0.000 0.217 272 D C 0.001 176.093 176.300 -0.347 0.000 0.973 272 D CA 0.768 54.599 54.000 -0.282 0.000 0.880 272 D CB -0.272 40.432 40.800 -0.160 0.000 1.031 272 D HN 0.553 nan 8.370 nan 0.000 0.468 273 Y N -1.593 118.928 120.300 0.367 0.000 2.504 273 Y HA 0.363 5.157 4.550 0.406 0.000 0.344 273 Y C -0.703 175.445 175.900 0.413 0.000 1.023 273 Y CA -1.531 56.800 58.100 0.385 0.000 1.020 273 Y CB 1.265 39.817 38.460 0.155 0.000 1.282 273 Y HN -0.227 nan 8.280 nan 0.000 0.454 274 Y N 4.072 124.466 120.300 0.156 0.000 2.683 274 Y HA 0.092 4.886 4.550 0.406 0.000 0.340 274 Y C -1.991 173.943 175.900 0.057 0.000 1.245 274 Y CA -1.760 56.305 58.100 -0.059 0.000 1.485 274 Y CB 0.082 38.461 38.460 -0.136 0.000 1.328 274 Y HN 0.240 nan 8.280 nan 0.000 0.603 275 P HA 0.390 nan 4.420 nan 0.000 0.284 275 P C -0.761 176.652 177.300 0.188 0.000 1.258 275 P CA -0.501 62.626 63.100 0.045 0.000 0.824 275 P CB 1.801 33.354 31.700 -0.245 0.000 1.038 276 R N 0.126 120.794 120.500 0.280 0.000 2.764 276 R HA 0.300 4.883 4.340 0.406 0.000 0.270 276 R C -0.550 176.005 176.300 0.424 0.000 1.014 276 R CA -0.998 55.294 56.100 0.320 0.000 0.904 276 R CB -0.008 30.479 30.300 0.311 0.000 1.236 276 R HN 0.719 nan 8.270 nan 0.000 0.466 277 H N 0.360 119.594 119.070 0.272 0.000 2.765 277 H HA -0.136 4.664 4.556 0.406 0.000 0.332 277 H C -0.841 174.665 175.328 0.297 0.000 1.180 277 H CA 0.184 56.403 56.048 0.286 0.000 1.142 277 H CB -1.028 28.902 29.762 0.281 0.000 1.576 277 H HN 0.372 nan 8.280 nan 0.000 0.420 278 L N 2.023 123.365 121.223 0.197 0.000 2.453 278 L HA 0.193 4.776 4.340 0.406 0.000 0.272 278 L C 0.865 177.813 176.870 0.130 0.000 1.182 278 L CA 0.699 55.658 54.840 0.198 0.000 0.858 278 L CB 0.683 42.828 42.059 0.143 0.000 1.120 278 L HN 0.627 nan 8.230 nan 0.000 0.474 279 N N 0.508 119.327 118.700 0.199 0.000 2.494 279 N HA 0.546 5.530 4.740 0.406 0.000 0.270 279 N C -1.292 174.339 175.510 0.202 0.000 1.285 279 N CA -0.523 52.641 53.050 0.190 0.000 0.812 279 N CB 2.586 41.209 38.487 0.226 0.000 1.557 279 N HN 0.476 nan 8.380 nan 0.000 0.487 280 T N -1.050 113.616 114.554 0.186 0.000 2.816 280 T HA 0.252 4.845 4.350 0.406 0.000 0.299 280 T C -1.261 173.520 174.700 0.136 0.000 1.230 280 T CA -0.492 61.693 62.100 0.141 0.000 1.007 280 T CB 1.131 70.052 68.868 0.088 0.000 1.289 280 T HN 0.683 nan 8.240 nan 0.000 0.508 281 D N -0.540 119.897 120.400 0.062 0.000 2.469 281 D HA 0.329 5.213 4.640 0.406 0.000 0.213 281 D C 1.328 177.605 176.300 -0.038 0.000 1.135 281 D CA 0.818 54.814 54.000 -0.007 0.000 0.834 281 D CB 0.221 40.931 40.800 -0.150 0.000 1.009 281 D HN 1.066 nan 8.370 nan 0.000 0.507 282 G N 0.623 109.419 108.800 -0.007 0.000 2.253 282 G HA2 -0.274 3.929 3.960 0.406 0.000 0.209 282 G HA3 -0.274 3.929 3.960 0.406 0.000 0.209 282 G C 1.320 176.201 174.900 -0.031 0.000 0.997 282 G CA 0.129 45.224 45.100 -0.009 0.000 0.640 282 G HN 0.371 nan 8.290 nan 0.000 0.496 283 R N -0.405 120.062 120.500 -0.054 0.000 2.197 283 R HA 0.367 4.950 4.340 0.406 0.000 0.188 283 R C 0.934 177.182 176.300 -0.087 0.000 1.015 283 R CA 0.208 56.267 56.100 -0.067 0.000 1.132 283 R CB 0.448 30.705 30.300 -0.071 0.000 1.134 283 R HN 0.275 nan 8.270 nan 0.000 0.560 284 R N 0.415 120.877 120.500 -0.063 0.000 2.832 284 R HA 0.520 5.103 4.340 0.406 0.000 0.271 284 R C -0.729 175.581 176.300 0.017 0.000 0.996 284 R CA -0.577 55.493 56.100 -0.050 0.000 0.977 284 R CB 1.900 32.188 30.300 -0.021 0.000 1.168 284 R HN -0.045 nan 8.270 nan 0.000 0.482 285 I N 1.969 122.587 120.570 0.080 0.000 2.441 285 I HA 0.317 4.730 4.170 0.406 0.000 0.295 285 I C -0.952 175.348 176.117 0.304 0.000 0.994 285 I CA -0.923 60.493 61.300 0.193 0.000 1.144 285 I CB 1.685 39.834 38.000 0.249 0.000 1.314 285 I HN 0.237 nan 8.210 nan 0.000 0.445 286 L N 7.618 129.023 121.223 0.303 0.000 2.330 286 L HA 0.739 5.323 4.340 0.406 0.000 0.271 286 L C -1.010 176.117 176.870 0.428 0.000 1.013 286 L CA -0.282 54.725 54.840 0.280 0.000 0.816 286 L CB 1.676 43.878 42.059 0.239 0.000 1.287 286 L HN 0.527 nan 8.230 nan 0.000 0.435 287 F N -0.217 119.876 119.950 0.237 0.000 2.770 287 F HA 0.719 5.490 4.527 0.406 0.000 0.313 287 F C -1.207 174.732 175.800 0.232 0.000 1.154 287 F CA -0.795 57.349 58.000 0.240 0.000 0.923 287 F CB 0.692 39.814 39.000 0.203 0.000 1.301 287 F HN 0.464 nan 8.300 nan 0.000 0.449 288 S N 1.027 116.990 115.700 0.437 0.000 2.621 288 S HA 0.848 5.561 4.470 0.406 0.000 0.302 288 S C -1.194 173.624 174.600 0.364 0.000 1.093 288 S CA -0.788 57.572 58.200 0.267 0.000 1.017 288 S CB 2.159 65.461 63.200 0.170 0.000 1.077 288 S HN 1.040 nan 8.310 nan 0.000 0.517 289 K N 0.022 120.580 120.400 0.264 0.000 2.570 289 K HA 0.477 5.040 4.320 0.406 0.000 0.256 289 K C 0.340 176.995 176.600 0.092 0.000 0.939 289 K CA 0.060 56.462 56.287 0.193 0.000 0.833 289 K CB 0.871 33.411 32.500 0.068 0.000 1.318 289 K HN 1.427 nan 8.250 nan 0.000 0.433 290 G N 2.350 111.084 108.800 -0.110 0.000 2.379 290 G HA2 -0.202 4.001 3.960 0.406 0.000 0.297 290 G HA3 -0.202 4.001 3.960 0.406 0.000 0.297 290 G C 0.792 175.494 174.900 -0.329 0.000 1.004 290 G CA 1.039 45.786 45.100 -0.589 0.000 0.921 290 G HN 1.678 nan 8.290 nan 0.000 0.511 291 G N -2.634 106.058 108.800 -0.181 0.000 2.143 291 G HA2 0.007 4.210 3.960 0.406 0.000 0.248 291 G HA3 0.007 4.210 3.960 0.406 0.000 0.248 291 G C 0.313 175.116 174.900 -0.162 0.000 0.991 291 G CA 0.817 45.825 45.100 -0.152 0.000 0.689 291 G HN 1.716 nan 8.290 nan 0.000 0.522 292 S N -0.531 115.092 115.700 -0.129 0.000 2.634 292 S HA 0.811 5.525 4.470 0.406 0.000 0.296 292 S C -0.200 174.214 174.600 -0.310 0.000 1.104 292 S CA -0.838 57.200 58.200 -0.271 0.000 0.920 292 S CB 1.729 64.727 63.200 -0.336 0.000 1.111 292 S HN 0.288 nan 8.310 nan 0.000 0.493 293 I N 2.293 122.555 120.570 -0.513 0.000 2.359 293 I HA 0.431 4.845 4.170 0.406 0.000 0.294 293 I C -0.968 174.729 176.117 -0.700 0.000 0.987 293 I CA -0.413 60.611 61.300 -0.460 0.000 1.225 293 I CB 0.382 38.128 38.000 -0.423 0.000 1.366 293 I HN 0.609 nan 8.210 nan 0.000 0.466 294 Y N 5.340 125.275 120.300 -0.607 0.000 2.598 294 Y HA 0.624 5.417 4.550 0.406 0.000 0.340 294 Y C 0.187 175.750 175.900 -0.562 0.000 1.038 294 Y CA -0.761 56.931 58.100 -0.680 0.000 1.100 294 Y CB 2.286 40.087 38.460 -1.099 0.000 1.281 294 Y HN 0.299 nan 8.280 nan 0.000 0.488 295 I N 1.839 122.383 120.570 -0.044 0.000 2.545 295 I HA 0.281 4.694 4.170 0.406 0.000 0.292 295 I C -1.646 174.674 176.117 0.340 0.000 1.040 295 I CA -0.844 60.523 61.300 0.112 0.000 1.068 295 I CB 2.209 40.250 38.000 0.068 0.000 1.251 295 I HN 0.449 nan 8.210 nan 0.000 0.424 296 F N 6.725 126.813 119.950 0.230 0.000 2.507 296 F HA 0.395 5.166 4.527 0.406 0.000 0.328 296 F C -0.521 175.323 175.800 0.074 0.000 1.136 296 F CA -0.693 57.436 58.000 0.215 0.000 0.930 296 F CB 1.210 40.383 39.000 0.289 0.000 1.166 296 F HN 0.387 nan 8.300 nan 0.000 0.436 297 N N 7.733 126.106 118.700 -0.546 0.000 2.457 297 N HA 0.327 5.311 4.740 0.406 0.000 0.250 297 N C -2.167 172.814 175.510 -0.882 0.000 0.982 297 N CA -1.937 50.805 53.050 -0.514 0.000 0.941 297 N CB 1.727 40.069 38.487 -0.242 0.000 1.120 297 N HN 0.302 nan 8.380 nan 0.000 0.505 298 P HA -0.084 nan 4.420 nan 0.000 0.217 298 P C 0.044 177.208 177.300 -0.227 0.000 1.150 298 P CA 1.023 63.779 63.100 -0.573 0.000 0.832 298 P CB 0.278 31.757 31.700 -0.368 0.000 0.787 299 D N -2.169 118.126 120.400 -0.176 0.000 2.371 299 D HA -0.028 4.856 4.640 0.406 0.000 0.221 299 D C 1.124 177.382 176.300 -0.070 0.000 0.986 299 D CA 1.159 55.113 54.000 -0.077 0.000 0.899 299 D CB -0.384 40.380 40.800 -0.060 0.000 0.902 299 D HN 0.185 nan 8.370 nan 0.000 0.530 300 T N -1.361 113.120 114.554 -0.123 0.000 2.992 300 T HA 0.039 4.632 4.350 0.406 0.000 0.255 300 T C 0.642 175.310 174.700 -0.054 0.000 0.938 300 T CA -0.147 61.908 62.100 -0.074 0.000 0.895 300 T CB 1.141 69.964 68.868 -0.075 0.000 1.221 300 T HN 0.109 nan 8.240 nan 0.000 0.512 301 E N 0.982 121.098 120.200 -0.141 0.000 2.971 301 E HA -0.208 4.386 4.350 0.406 0.000 0.278 301 E C -0.003 176.678 176.600 0.135 0.000 1.009 301 E CA 0.515 56.942 56.400 0.045 0.000 0.862 301 E CB -0.696 29.118 29.700 0.189 0.000 1.436 301 E HN 0.430 nan 8.360 nan 0.000 0.434 302 K N 0.919 121.323 120.400 0.006 0.000 2.156 302 K HA 0.560 5.124 4.320 0.406 0.000 0.271 302 K C -0.431 176.287 176.600 0.196 0.000 0.995 302 K CA -0.483 55.862 56.287 0.096 0.000 0.890 302 K CB 0.737 33.261 32.500 0.039 0.000 1.073 302 K HN 0.153 nan 8.250 nan 0.000 0.454 303 I N 3.598 124.336 120.570 0.280 0.000 2.545 303 I HA 0.284 4.698 4.170 0.406 0.000 0.292 303 I C -0.835 175.465 176.117 0.305 0.000 1.040 303 I CA -0.647 60.885 61.300 0.387 0.000 1.068 303 I CB 2.083 40.389 38.000 0.511 0.000 1.251 303 I HN 0.695 nan 8.210 nan 0.000 0.424 304 E N 4.923 125.295 120.200 0.288 0.000 2.343 304 E HA 0.373 4.967 4.350 0.406 0.000 0.278 304 E C -1.406 175.260 176.600 0.111 0.000 0.910 304 E CA -1.218 55.304 56.400 0.203 0.000 0.757 304 E CB 2.437 32.196 29.700 0.098 0.000 1.218 304 E HN 0.402 nan 8.360 nan 0.000 0.435 305 K N 3.574 123.964 120.400 -0.017 0.000 2.322 305 K HA 0.246 4.809 4.320 0.406 0.000 0.283 305 K C -0.460 175.938 176.600 -0.336 0.000 1.042 305 K CA -0.417 55.579 56.287 -0.485 0.000 0.958 305 K CB 0.558 32.772 32.500 -0.476 0.000 0.984 305 K HN 0.518 nan 8.250 nan 0.000 0.473 306 I N 3.889 124.208 120.570 -0.420 0.000 2.519 306 I HA 0.043 4.457 4.170 0.406 0.000 0.287 306 I C 0.421 176.325 176.117 -0.354 0.000 1.047 306 I CA -0.402 60.706 61.300 -0.320 0.000 1.381 306 I CB 1.075 38.864 38.000 -0.352 0.000 1.417 306 I HN 0.517 nan 8.210 nan 0.000 0.540 307 E N 6.191 126.241 120.200 -0.251 0.000 2.152 307 E HA 0.211 4.805 4.350 0.406 0.000 0.285 307 E C 0.159 176.604 176.600 -0.259 0.000 1.043 307 E CA -0.047 56.227 56.400 -0.211 0.000 0.839 307 E CB 1.831 31.475 29.700 -0.093 0.000 1.069 307 E HN 0.460 nan 8.360 nan 0.000 0.399 308 I N 1.322 121.716 120.570 -0.293 0.000 4.033 308 I HA 0.137 4.550 4.170 0.406 0.000 0.296 308 I C 1.175 177.197 176.117 -0.157 0.000 1.210 308 I CA 0.910 62.051 61.300 -0.266 0.000 1.341 308 I CB -0.140 37.587 38.000 -0.454 0.000 1.369 308 I HN 0.713 nan 8.210 nan 0.000 0.453 309 G N 0.998 109.694 108.800 -0.174 0.000 2.697 309 G HA2 -0.247 3.957 3.960 0.406 0.000 0.240 309 G HA3 -0.247 3.957 3.960 0.406 0.000 0.240 309 G C -0.695 174.128 174.900 -0.127 0.000 1.346 309 G CA -0.339 44.687 45.100 -0.123 0.000 0.887 309 G HN 0.254 nan 8.290 nan 0.000 0.569 310 D N -0.397 119.949 120.400 -0.090 0.000 2.525 310 D HA 0.314 5.198 4.640 0.406 0.000 0.235 310 D C 1.106 177.350 176.300 -0.093 0.000 1.137 310 D CA 0.193 54.144 54.000 -0.083 0.000 0.868 310 D CB 1.091 41.863 40.800 -0.047 0.000 1.180 310 D HN 0.374 nan 8.370 nan 0.000 0.465 311 L N 1.373 122.514 121.223 -0.137 0.000 2.758 311 L HA 0.286 4.869 4.340 0.406 0.000 0.234 311 L C -0.001 176.842 176.870 -0.045 0.000 1.049 311 L CA 0.583 55.297 54.840 -0.210 0.000 0.908 311 L CB 0.316 42.016 42.059 -0.599 0.000 1.362 311 L HN 0.572 nan 8.230 nan 0.000 0.499 312 E N -1.219 118.972 120.200 -0.015 0.000 2.481 312 E HA 0.308 4.902 4.350 0.406 0.000 0.301 312 E C -1.489 175.145 176.600 0.056 0.000 0.948 312 E CA -0.083 56.377 56.400 0.100 0.000 0.804 312 E CB 1.485 31.336 29.700 0.252 0.000 1.265 312 E HN -0.176 nan 8.360 nan 0.000 0.406 313 S N 5.358 121.089 115.700 0.051 0.000 2.539 313 S HA 0.416 5.130 4.470 0.406 0.000 0.235 313 S C -2.229 172.387 174.600 0.027 0.000 1.326 313 S CA -1.022 57.193 58.200 0.024 0.000 1.183 313 S CB 0.636 63.837 63.200 0.002 0.000 1.073 313 S HN 0.482 nan 8.310 nan 0.000 0.480 314 P HA 0.266 nan 4.420 nan 0.000 0.274 314 P C -0.361 176.938 177.300 -0.001 0.000 1.256 314 P CA -0.449 62.665 63.100 0.023 0.000 0.795 314 P CB 0.428 32.148 31.700 0.033 0.000 1.038 315 E N 0.328 120.526 120.200 -0.004 0.000 2.585 315 E HA -0.109 4.485 4.350 0.406 0.000 0.252 315 E C 0.640 177.222 176.600 -0.031 0.000 0.981 315 E CA 0.494 56.885 56.400 -0.014 0.000 0.943 315 E CB -0.190 29.504 29.700 -0.010 0.000 0.923 315 E HN 0.321 nan 8.360 nan 0.000 0.486 316 D N 3.500 123.881 120.400 -0.031 0.000 2.183 316 D HA -0.104 4.779 4.640 0.406 0.000 0.203 316 D C 0.299 176.569 176.300 -0.051 0.000 0.969 316 D CA 0.676 54.651 54.000 -0.042 0.000 0.842 316 D CB 0.221 41.019 40.800 -0.005 0.000 0.957 316 D HN 0.326 nan 8.370 nan 0.000 0.484 317 R N 0.494 120.973 120.500 -0.034 0.000 2.248 317 R HA 0.348 4.932 4.340 0.406 0.000 0.328 317 R C -0.365 175.912 176.300 -0.039 0.000 1.067 317 R CA -0.258 55.821 56.100 -0.035 0.000 0.924 317 R CB 0.086 30.374 30.300 -0.019 0.000 1.013 317 R HN 0.210 nan 8.270 nan 0.000 0.454 318 I N 1.315 121.853 120.570 -0.052 0.000 2.740 318 I HA 0.534 4.947 4.170 0.406 0.000 0.303 318 I C -0.599 175.498 176.117 -0.033 0.000 1.044 318 I CA -1.168 60.105 61.300 -0.045 0.000 1.064 318 I CB 1.979 39.939 38.000 -0.067 0.000 1.249 318 I HN 0.408 nan 8.210 nan 0.000 0.433 319 I N 2.878 123.439 120.570 -0.015 0.000 2.460 319 I HA 0.503 4.916 4.170 0.406 0.000 0.298 319 I C -0.209 175.921 176.117 0.021 0.000 0.989 319 I CA -0.211 61.090 61.300 0.002 0.000 1.173 319 I CB 1.991 39.994 38.000 0.006 0.000 1.338 319 I HN 0.678 nan 8.210 nan 0.000 0.456 320 S N 5.377 121.104 115.700 0.045 0.000 2.564 320 S HA 0.576 5.289 4.470 0.406 0.000 0.274 320 S C -0.501 174.197 174.600 0.165 0.000 1.124 320 S CA -0.618 57.661 58.200 0.131 0.000 0.869 320 S CB 2.046 65.300 63.200 0.090 0.000 1.105 320 S HN 0.342 nan 8.310 nan 0.000 0.472 321 I N 4.150 124.856 120.570 0.227 0.000 2.363 321 I HA 0.187 4.600 4.170 0.406 0.000 0.292 321 I C -1.221 175.000 176.117 0.174 0.000 1.075 321 I CA -1.939 59.432 61.300 0.118 0.000 1.333 321 I CB 0.972 38.991 38.000 0.032 0.000 1.415 321 I HN 0.485 nan 8.210 nan 0.000 0.502 322 P HA -0.238 nan 4.420 nan 0.000 0.216 322 P C 1.492 178.853 177.300 0.101 0.000 1.150 322 P CA 1.635 64.831 63.100 0.161 0.000 0.843 322 P CB 0.116 31.851 31.700 0.058 0.000 0.787 323 S N -0.581 115.083 115.700 -0.059 0.000 2.402 323 S HA -0.104 4.609 4.470 0.406 0.000 0.229 323 S C 2.046 176.550 174.600 -0.160 0.000 1.021 323 S CA 0.752 58.871 58.200 -0.135 0.000 0.974 323 S CB -0.863 62.232 63.200 -0.176 0.000 0.800 323 S HN -0.030 nan 8.310 nan 0.000 0.484 324 K N 0.928 121.169 120.400 -0.265 0.000 2.160 324 K HA -0.010 4.553 4.320 0.406 0.000 0.206 324 K C 0.713 176.819 176.600 -0.823 0.000 1.047 324 K CA 1.204 57.118 56.287 -0.622 0.000 0.930 324 K CB -0.433 31.483 32.500 -0.974 0.000 0.720 324 K HN 0.666 nan 8.250 nan 0.000 0.450 325 F N -0.378 119.602 119.950 0.051 0.000 2.683 325 F HA 0.351 5.121 4.527 0.405 0.000 0.306 325 F C 0.576 176.447 175.800 0.118 0.000 1.102 325 F CA -0.747 57.299 58.000 0.076 0.000 1.244 325 F CB -0.085 38.960 39.000 0.076 0.000 1.029 325 F HN -0.253 nan 8.300 nan 0.000 0.545 326 A N 1.829 124.769 122.820 0.200 0.000 2.511 326 A HA 0.466 5.029 4.320 0.406 0.000 0.242 326 A C 0.269 177.996 177.584 0.238 0.000 1.069 326 A CA 0.090 52.280 52.037 0.254 0.000 0.763 326 A CB -0.064 18.998 19.000 0.103 0.000 1.001 326 A HN 0.552 nan 8.150 nan 0.000 0.498 327 E N 1.274 121.660 120.200 0.309 0.000 2.366 327 E HA 0.503 5.096 4.350 0.406 0.000 0.278 327 E C -1.419 175.373 176.600 0.321 0.000 0.923 327 E CA -1.046 55.518 56.400 0.273 0.000 0.761 327 E CB 1.149 30.962 29.700 0.189 0.000 1.231 327 E HN 0.470 nan 8.360 nan 0.000 0.443 328 D N 0.721 121.306 120.400 0.308 0.000 5.864 328 D HA -0.174 4.709 4.640 0.406 0.000 0.244 328 D C -1.674 174.814 176.300 0.313 0.000 1.511 328 D CA 0.946 55.077 54.000 0.218 0.000 1.451 328 D CB -0.567 40.364 40.800 0.218 0.000 0.732 328 D HN 0.501 nan 8.370 nan 0.000 0.394 329 F N 1.170 121.235 119.950 0.190 0.000 2.536 329 F HA 0.681 5.453 4.527 0.408 0.000 0.322 329 F C -0.245 175.646 175.800 0.153 0.000 1.144 329 F CA -0.913 57.202 58.000 0.192 0.000 0.924 329 F CB 1.974 41.050 39.000 0.127 0.000 1.181 329 F HN 0.137 nan 8.300 nan 0.000 0.438 330 S N 4.163 119.949 115.700 0.144 0.000 2.536 330 S HA 0.717 5.431 4.470 0.406 0.000 0.287 330 S C -3.197 171.480 174.600 0.129 0.000 1.101 330 S CA -1.629 56.607 58.200 0.060 0.000 0.950 330 S CB 2.269 65.495 63.200 0.042 0.000 1.056 330 S HN 0.561 nan 8.310 nan 0.000 0.481 331 P HA 0.395 nan 4.420 nan 0.000 0.286 331 P C -0.918 176.434 177.300 0.087 0.000 1.269 331 P CA -0.482 62.676 63.100 0.096 0.000 0.787 331 P CB 0.819 32.561 31.700 0.070 0.000 0.920 332 L N 1.744 123.023 121.223 0.093 0.000 2.299 332 L HA 0.492 5.075 4.340 0.406 0.000 0.268 332 L C 0.747 177.677 176.870 0.099 0.000 1.012 332 L CA -1.177 53.728 54.840 0.108 0.000 0.816 332 L CB 0.452 42.587 42.059 0.126 0.000 1.355 332 L HN 0.201 nan 8.230 nan 0.000 0.457 333 D N 0.269 120.740 120.400 0.118 0.000 2.354 333 D HA 0.238 5.122 4.640 0.406 0.000 0.238 333 D C 0.968 177.326 176.300 0.098 0.000 1.250 333 D CA 1.161 55.218 54.000 0.095 0.000 0.911 333 D CB 0.446 41.299 40.800 0.089 0.000 1.163 333 D HN 0.806 nan 8.370 nan 0.000 0.456 334 G N 1.008 109.851 108.800 0.072 0.000 2.225 334 G HA2 -0.351 3.852 3.960 0.406 0.000 0.267 334 G HA3 -0.351 3.852 3.960 0.406 0.000 0.267 334 G C 0.451 175.385 174.900 0.057 0.000 1.024 334 G CA 0.797 45.935 45.100 0.063 0.000 0.784 334 G HN 0.787 nan 8.290 nan 0.000 0.507 335 D N -2.120 118.314 120.400 0.056 0.000 2.945 335 D HA -0.177 4.706 4.640 0.406 0.000 0.225 335 D C 0.698 177.034 176.300 0.060 0.000 1.158 335 D CA 1.483 55.516 54.000 0.055 0.000 0.805 335 D CB -1.241 39.590 40.800 0.050 0.000 1.098 335 D HN 0.760 nan 8.370 nan 0.000 0.426 336 L N -0.306 120.954 121.223 0.061 0.000 2.387 336 L HA 0.606 5.190 4.340 0.406 0.000 0.266 336 L C 0.720 177.633 176.870 0.071 0.000 1.059 336 L CA -1.036 53.834 54.840 0.049 0.000 0.801 336 L CB 1.034 43.090 42.059 -0.005 0.000 1.223 336 L HN -0.095 nan 8.230 nan 0.000 0.456 337 I N 0.615 121.238 120.570 0.089 0.000 2.689 337 I HA 0.618 5.032 4.170 0.406 0.000 0.299 337 I C -0.350 175.877 176.117 0.183 0.000 1.059 337 I CA -0.097 61.292 61.300 0.150 0.000 1.055 337 I CB 2.056 40.160 38.000 0.174 0.000 1.243 337 I HN 0.576 nan 8.210 nan 0.000 0.425 338 A N 5.642 128.596 122.820 0.223 0.000 2.401 338 A HA 0.952 5.516 4.320 0.406 0.000 0.310 338 A C -1.276 176.531 177.584 0.373 0.000 1.075 338 A CA -0.420 51.751 52.037 0.223 0.000 0.746 338 A CB 1.106 20.194 19.000 0.145 0.000 1.277 338 A HN 0.672 nan 8.150 nan 0.000 0.425 339 F N -0.095 119.972 119.950 0.195 0.000 2.678 339 F HA 0.709 5.478 4.527 0.404 0.000 0.308 339 F C -1.615 174.330 175.800 0.241 0.000 1.118 339 F CA -1.088 57.045 58.000 0.222 0.000 0.959 339 F CB 0.921 40.058 39.000 0.228 0.000 1.305 339 F HN 0.396 nan 8.300 nan 0.000 0.443 340 V N 2.036 122.110 119.914 0.267 0.000 2.547 340 V HA 0.774 5.138 4.120 0.406 0.000 0.299 340 V C -0.617 175.675 176.094 0.330 0.000 1.040 340 V CA -0.382 61.996 62.300 0.130 0.000 0.913 340 V CB 1.630 33.508 31.823 0.091 0.000 0.992 340 V HN 0.930 nan 8.190 nan 0.000 0.449 341 S N 3.806 119.671 115.700 0.274 0.000 2.592 341 S HA 0.487 5.201 4.470 0.406 0.000 0.275 341 S C -0.052 174.693 174.600 0.242 0.000 1.169 341 S CA -0.715 57.704 58.200 0.366 0.000 0.958 341 S CB 0.798 64.333 63.200 0.559 0.000 1.095 341 S HN 0.778 nan 8.310 nan 0.000 0.471 342 R N 2.713 123.326 120.500 0.188 0.000 3.405 342 R HA -0.226 4.357 4.340 0.406 0.000 0.258 342 R C 1.002 177.295 176.300 -0.012 0.000 1.030 342 R CA 1.240 57.355 56.100 0.025 0.000 0.691 342 R CB -1.799 28.436 30.300 -0.108 0.000 1.093 342 R HN 1.790 nan 8.270 nan 0.000 0.448 343 G N -1.153 107.640 108.800 -0.011 0.000 2.184 343 G HA2 -0.356 3.847 3.960 0.406 0.000 0.264 343 G HA3 -0.356 3.847 3.960 0.406 0.000 0.264 343 G C -0.001 174.834 174.900 -0.110 0.000 0.975 343 G CA 0.841 45.901 45.100 -0.067 0.000 0.642 343 G HN 0.540 nan 8.290 nan 0.000 0.536 344 Q N -0.340 119.401 119.800 -0.099 0.000 2.297 344 Q HA 0.783 5.367 4.340 0.406 0.000 0.268 344 Q C -0.036 175.707 176.000 -0.428 0.000 1.045 344 Q CA -0.207 55.427 55.803 -0.282 0.000 0.861 344 Q CB 2.141 30.747 28.738 -0.220 0.000 1.344 344 Q HN 0.790 nan 8.270 nan 0.000 0.452 345 A N 1.138 123.475 122.820 -0.805 0.000 2.413 345 A HA 0.881 5.444 4.320 0.406 0.000 0.307 345 A C -1.524 175.314 177.584 -1.244 0.000 1.087 345 A CA -0.474 51.115 52.037 -0.746 0.000 0.750 345 A CB 0.943 19.667 19.000 -0.461 0.000 1.296 345 A HN 0.557 nan 8.150 nan 0.000 0.423 346 F N 0.028 119.670 119.950 -0.513 0.000 2.608 346 F HA 0.594 5.364 4.527 0.405 0.000 0.309 346 F C -0.668 175.007 175.800 -0.208 0.000 1.103 346 F CA -0.508 57.259 58.000 -0.388 0.000 0.954 346 F CB 1.935 40.626 39.000 -0.514 0.000 1.267 346 F HN 0.274 nan 8.300 nan 0.000 0.444 347 I N 2.660 123.273 120.570 0.071 0.000 2.362 347 I HA 0.478 4.892 4.170 0.406 0.000 0.289 347 I C -0.504 175.657 176.117 0.072 0.000 0.994 347 I CA -0.263 61.032 61.300 -0.008 0.000 1.158 347 I CB 1.549 39.402 38.000 -0.245 0.000 1.315 347 I HN 0.698 nan 8.210 nan 0.000 0.451 348 Q N 4.942 124.810 119.800 0.113 0.000 2.565 348 Q HA 0.539 5.123 4.340 0.406 0.000 0.294 348 Q C -1.730 174.343 176.000 0.122 0.000 1.005 348 Q CA -1.097 54.794 55.803 0.148 0.000 0.771 348 Q CB 2.031 30.901 28.738 0.219 0.000 1.486 348 Q HN 0.540 nan 8.270 nan 0.000 0.422 349 D N 0.394 120.883 120.400 0.148 0.000 2.348 349 D HA 0.065 4.949 4.640 0.406 0.000 0.249 349 D C 1.330 177.694 176.300 0.106 0.000 1.110 349 D CA -0.089 53.991 54.000 0.134 0.000 0.967 349 D CB 1.714 42.641 40.800 0.212 0.000 1.139 349 D HN 0.607 nan 8.370 nan 0.000 0.466 350 V N -0.105 119.859 119.914 0.083 0.000 2.392 350 V HA -0.254 4.109 4.120 0.406 0.000 0.249 350 V C 2.174 178.281 176.094 0.023 0.000 1.059 350 V CA 2.662 64.992 62.300 0.050 0.000 1.051 350 V CB -1.313 30.538 31.823 0.046 0.000 0.658 350 V HN 0.701 nan 8.190 nan 0.000 0.455 351 S N 0.762 116.487 115.700 0.041 0.000 2.481 351 S HA 0.182 4.895 4.470 0.406 0.000 0.231 351 S C 1.874 176.463 174.600 -0.017 0.000 0.996 351 S CA 1.153 59.358 58.200 0.008 0.000 0.942 351 S CB -0.669 62.546 63.200 0.025 0.000 0.768 351 S HN 2.186 nan 8.310 nan 0.000 0.520 352 G N 0.364 109.170 108.800 0.011 0.000 2.160 352 G HA2 -0.303 3.900 3.960 0.406 0.000 0.251 352 G HA3 -0.303 3.900 3.960 0.406 0.000 0.251 352 G C 0.624 175.495 174.900 -0.048 0.000 1.008 352 G CA 0.963 46.060 45.100 -0.006 0.000 0.724 352 G HN 0.766 nan 8.290 nan 0.000 0.514 353 T N -1.553 112.948 114.554 -0.089 0.000 3.010 353 T HA 0.242 4.836 4.350 0.406 0.000 0.252 353 T C 0.805 175.271 174.700 -0.389 0.000 1.047 353 T CA 1.057 62.990 62.100 -0.277 0.000 1.140 353 T CB 0.076 68.706 68.868 -0.397 0.000 0.885 353 T HN 0.375 nan 8.240 nan 0.000 0.464 354 Y N 1.936 122.255 120.300 0.031 0.000 2.491 354 Y HA 0.604 5.397 4.550 0.405 0.000 0.334 354 Y C -0.532 175.401 175.900 0.055 0.000 0.969 354 Y CA -1.034 57.090 58.100 0.041 0.000 1.241 354 Y CB 1.129 39.612 38.460 0.039 0.000 1.105 354 Y HN -0.115 nan 8.280 nan 0.000 0.503 355 V N 5.389 125.400 119.914 0.161 0.000 2.604 355 V HA 0.488 4.852 4.120 0.406 0.000 0.305 355 V C -0.355 175.847 176.094 0.180 0.000 1.043 355 V CA -1.031 61.368 62.300 0.165 0.000 0.888 355 V CB 2.158 34.056 31.823 0.124 0.000 0.995 355 V HN 0.577 nan 8.190 nan 0.000 0.429 356 L N 3.908 125.245 121.223 0.190 0.000 2.356 356 L HA 0.582 5.166 4.340 0.406 0.000 0.277 356 L C -0.204 176.743 176.870 0.128 0.000 0.996 356 L CA -0.587 54.350 54.840 0.162 0.000 0.822 356 L CB 2.088 44.243 42.059 0.160 0.000 1.256 356 L HN 0.611 nan 8.230 nan 0.000 0.413 357 K N 2.197 122.618 120.400 0.035 0.000 2.205 357 K HA 0.461 5.024 4.320 0.406 0.000 0.279 357 K C -0.756 175.600 176.600 -0.407 0.000 1.027 357 K CA -0.581 55.526 56.287 -0.300 0.000 0.932 357 K CB 1.495 33.870 32.500 -0.208 0.000 1.032 357 K HN 0.326 nan 8.250 nan 0.000 0.466 358 V N 6.556 126.085 119.914 -0.641 0.000 2.555 358 V HA 0.133 4.497 4.120 0.406 0.000 0.286 358 V C -1.752 173.930 176.094 -0.687 0.000 1.044 358 V CA -1.284 60.530 62.300 -0.809 0.000 1.026 358 V CB 0.895 32.225 31.823 -0.821 0.000 0.981 358 V HN 0.850 nan 8.190 nan 0.000 0.480 359 P HA 0.259 nan 4.420 nan 0.000 0.237 359 P C -0.419 176.652 177.300 -0.381 0.000 1.788 359 P CA 0.079 62.940 63.100 -0.399 0.000 1.061 359 P CB 0.303 31.843 31.700 -0.266 0.000 1.967 360 E N 2.605 122.560 120.200 -0.408 0.000 2.321 360 E HA 0.327 4.920 4.350 0.406 0.000 0.278 360 E C -2.236 174.218 176.600 -0.244 0.000 0.902 360 E CA -1.874 54.308 56.400 -0.363 0.000 0.758 360 E CB 2.370 31.753 29.700 -0.529 0.000 1.213 360 E HN 0.263 nan 8.360 nan 0.000 0.426 361 P HA 0.021 nan 4.420 nan 0.000 0.272 361 P C 0.437 177.776 177.300 0.066 0.000 1.243 361 P CA -0.335 62.742 63.100 -0.039 0.000 0.803 361 P CB 0.903 32.601 31.700 -0.003 0.000 0.974 362 L N 0.313 121.552 121.223 0.026 0.000 2.554 362 L HA -0.074 4.510 4.340 0.406 0.000 0.293 362 L C 1.035 177.880 176.870 -0.041 0.000 1.252 362 L CA 0.534 55.365 54.840 -0.014 0.000 0.862 362 L CB -0.278 41.755 42.059 -0.042 0.000 1.113 362 L HN 0.521 nan 8.230 nan 0.000 0.510 363 R N 3.153 123.585 120.500 -0.114 0.000 2.814 363 R HA -0.075 4.508 4.340 0.406 0.000 0.292 363 R C -1.427 174.743 176.300 -0.217 0.000 0.983 363 R CA 0.365 56.350 56.100 -0.191 0.000 0.646 363 R CB -1.815 28.342 30.300 -0.238 0.000 1.571 363 R HN 0.492 nan 8.270 nan 0.000 0.422 364 I N 3.447 123.939 120.570 -0.131 0.000 2.315 364 I HA 0.237 4.651 4.170 0.406 0.000 0.291 364 I C 1.652 177.687 176.117 -0.137 0.000 1.006 364 I CA -0.488 60.762 61.300 -0.084 0.000 1.265 364 I CB 1.289 39.188 38.000 -0.168 0.000 1.387 364 I HN 0.340 nan 8.210 nan 0.000 0.475 365 R N 4.501 124.899 120.500 -0.170 0.000 2.105 365 R HA 0.170 4.754 4.340 0.406 0.000 0.214 365 R C -0.520 175.414 176.300 -0.610 0.000 1.091 365 R CA 0.769 56.584 56.100 -0.474 0.000 1.007 365 R CB 0.323 30.206 30.300 -0.696 0.000 0.912 365 R HN 0.466 nan 8.270 nan 0.000 0.450 366 Y N -0.873 119.475 120.300 0.079 0.000 2.553 366 Y HA 0.504 5.300 4.550 0.411 0.000 0.347 366 Y C -0.671 175.322 175.900 0.155 0.000 1.019 366 Y CA -1.281 56.877 58.100 0.097 0.000 1.032 366 Y CB 2.365 40.876 38.460 0.085 0.000 1.284 366 Y HN -0.379 nan 8.280 nan 0.000 0.466 367 V N 2.382 122.482 119.914 0.309 0.000 2.686 367 V HA 0.703 5.066 4.120 0.406 0.000 0.306 367 V C -0.917 175.305 176.094 0.212 0.000 1.065 367 V CA -0.805 61.653 62.300 0.262 0.000 0.894 367 V CB 2.004 33.936 31.823 0.181 0.000 1.004 367 V HN 0.656 nan 8.190 nan 0.000 0.424 368 R N 1.997 122.620 120.500 0.206 0.000 2.651 368 R HA 0.576 5.159 4.340 0.406 0.000 0.278 368 R C -0.640 175.751 176.300 0.150 0.000 1.010 368 R CA -0.994 55.196 56.100 0.151 0.000 0.896 368 R CB 1.473 31.847 30.300 0.124 0.000 1.211 368 R HN 0.832 nan 8.270 nan 0.000 0.456 369 R N 1.095 121.670 120.500 0.126 0.000 2.504 369 R HA 0.155 4.738 4.340 0.406 0.000 0.291 369 R C 0.326 176.680 176.300 0.090 0.000 0.974 369 R CA 1.412 57.586 56.100 0.123 0.000 1.077 369 R CB 0.071 30.430 30.300 0.097 0.000 0.926 369 R HN 0.759 nan 8.270 nan 0.000 0.407 370 G N 1.807 110.659 108.800 0.086 0.000 3.079 370 G HA2 0.454 4.658 3.960 0.406 0.000 0.233 370 G HA3 0.454 4.658 3.960 0.406 0.000 0.233 370 G C 0.212 175.117 174.900 0.009 0.000 1.062 370 G CA 0.227 45.352 45.100 0.043 0.000 0.809 370 G HN 0.990 nan 8.290 nan 0.000 0.535 371 G N -0.407 108.401 108.800 0.012 0.000 2.324 371 G HA2 0.260 4.464 3.960 0.406 0.000 0.293 371 G HA3 0.260 4.464 3.960 0.406 0.000 0.293 371 G C -0.272 174.613 174.900 -0.025 0.000 1.297 371 G CA 0.127 45.216 45.100 -0.018 0.000 0.853 371 G HN -0.171 nan 8.290 nan 0.000 0.535 372 D N -0.103 120.271 120.400 -0.044 0.000 2.204 372 D HA -0.161 4.722 4.640 0.406 0.000 0.189 372 D C 2.266 178.510 176.300 -0.092 0.000 1.006 372 D CA 2.862 56.834 54.000 -0.045 0.000 0.855 372 D CB -0.114 40.650 40.800 -0.061 0.000 0.946 372 D HN 0.812 nan 8.370 nan 0.000 0.448 373 T N -3.134 111.255 114.554 -0.274 0.000 3.337 373 T HA 0.345 4.939 4.350 0.406 0.000 0.299 373 T C 0.194 174.307 174.700 -0.978 0.000 0.998 373 T CA -0.655 60.984 62.100 -0.768 0.000 0.948 373 T CB 0.628 69.093 68.868 -0.671 0.000 1.170 373 T HN -0.114 nan 8.240 nan 0.000 0.508 374 K N 0.547 120.716 120.400 -0.385 0.000 2.267 374 K HA 0.804 5.368 4.320 0.406 0.000 0.246 374 K C -1.565 175.073 176.600 0.064 0.000 0.954 374 K CA -1.049 55.123 56.287 -0.192 0.000 0.824 374 K CB 2.970 35.403 32.500 -0.113 0.000 1.167 374 K HN 0.076 nan 8.250 nan 0.000 0.431 375 V N 1.066 121.085 119.914 0.174 0.000 2.808 375 V HA 0.665 5.029 4.120 0.406 0.000 0.308 375 V C -1.460 174.796 176.094 0.271 0.000 1.099 375 V CA -0.529 61.934 62.300 0.271 0.000 0.920 375 V CB 1.841 33.902 31.823 0.397 0.000 1.014 375 V HN 0.941 nan 8.190 nan 0.000 0.425 376 A N 5.907 128.847 122.820 0.199 0.000 2.303 376 A HA 0.998 5.562 4.320 0.406 0.000 0.317 376 A C -0.867 176.852 177.584 0.225 0.000 1.149 376 A CA -0.356 51.746 52.037 0.108 0.000 0.822 376 A CB 0.835 19.878 19.000 0.073 0.000 1.131 376 A HN 1.495 nan 8.150 nan 0.000 0.493 377 F N -0.102 119.942 119.950 0.157 0.000 2.643 377 F HA 0.779 5.549 4.527 0.405 0.000 0.314 377 F C -1.184 174.727 175.800 0.186 0.000 1.096 377 F CA -1.629 56.466 58.000 0.157 0.000 0.953 377 F CB 1.108 40.173 39.000 0.107 0.000 1.345 377 F HN 0.249 nan 8.300 nan 0.000 0.468 378 I N 2.485 123.345 120.570 0.484 0.000 2.362 378 I HA 0.237 4.651 4.170 0.406 0.000 0.289 378 I C -0.677 175.691 176.117 0.417 0.000 0.994 378 I CA -0.327 61.200 61.300 0.378 0.000 1.158 378 I CB 0.993 39.206 38.000 0.355 0.000 1.315 378 I HN 0.785 nan 8.210 nan 0.000 0.451 379 H N 5.403 124.694 119.070 0.369 0.000 2.476 379 H HA 0.566 5.365 4.556 0.405 0.000 0.328 379 H C -0.455 175.023 175.328 0.250 0.000 1.073 379 H CA -0.362 55.866 56.048 0.300 0.000 1.229 379 H CB 1.772 31.761 29.762 0.377 0.000 1.432 379 H HN 0.757 nan 8.280 nan 0.000 0.477 380 G N 3.106 111.697 108.800 -0.349 0.000 2.379 380 G HA2 0.438 4.641 3.960 0.406 0.000 0.327 380 G HA3 0.438 4.641 3.960 0.406 0.000 0.327 380 G C -0.244 174.509 174.900 -0.245 0.000 1.145 380 G CA -0.278 44.700 45.100 -0.204 0.000 0.905 380 G HN 0.713 nan 8.290 nan 0.000 0.466 381 T N -1.047 113.526 114.554 0.031 0.000 2.742 381 T HA 0.392 4.985 4.350 0.406 0.000 0.282 381 T C 1.256 176.027 174.700 0.119 0.000 1.025 381 T CA -0.732 61.429 62.100 0.100 0.000 1.020 381 T CB 1.790 70.813 68.868 0.257 0.000 1.317 381 T HN 0.379 nan 8.240 nan 0.000 0.538 382 R N 0.051 120.631 120.500 0.133 0.000 2.115 382 R HA -0.043 4.540 4.340 0.406 0.000 0.230 382 R C 1.787 178.175 176.300 0.147 0.000 1.111 382 R CA 1.408 57.592 56.100 0.139 0.000 0.976 382 R CB -0.119 30.255 30.300 0.124 0.000 0.870 382 R HN 0.634 nan 8.270 nan 0.000 0.445 383 E N -0.527 119.784 120.200 0.184 0.000 2.216 383 E HA 0.091 4.685 4.350 0.406 0.000 0.192 383 E C 0.934 177.601 176.600 0.112 0.000 0.988 383 E CA 1.010 57.523 56.400 0.189 0.000 0.834 383 E CB 0.415 30.291 29.700 0.293 0.000 0.772 383 E HN 0.510 nan 8.360 nan 0.000 0.479 384 G N 0.354 109.199 108.800 0.075 0.000 2.350 384 G HA2 -0.010 4.193 3.960 0.406 0.000 0.282 384 G HA3 -0.010 4.193 3.960 0.406 0.000 0.282 384 G C -1.818 172.886 174.900 -0.326 0.000 1.314 384 G CA -0.806 44.196 45.100 -0.164 0.000 0.915 384 G HN -0.075 nan 8.290 nan 0.000 0.499 385 D N 0.026 120.141 120.400 -0.475 0.000 2.163 385 D HA 0.736 5.620 4.640 0.406 0.000 0.248 385 D C -0.773 175.132 176.300 -0.660 0.000 1.035 385 D CA 0.366 54.154 54.000 -0.354 0.000 0.872 385 D CB 1.412 42.117 40.800 -0.158 0.000 1.183 385 D HN 0.197 nan 8.370 nan 0.000 0.445 386 F N 0.624 120.655 119.950 0.134 0.000 2.576 386 F HA 0.292 5.063 4.527 0.407 0.000 0.313 386 F C -0.043 175.847 175.800 0.150 0.000 1.078 386 F CA -1.124 56.967 58.000 0.151 0.000 0.921 386 F CB 1.548 40.654 39.000 0.176 0.000 1.232 386 F HN -0.013 nan 8.300 nan 0.000 0.459 387 L N 2.095 123.507 121.223 0.314 0.000 2.350 387 L HA 0.806 5.389 4.340 0.406 0.000 0.275 387 L C -0.131 176.778 176.870 0.064 0.000 1.099 387 L CA 0.311 55.272 54.840 0.201 0.000 0.808 387 L CB 0.731 42.939 42.059 0.250 0.000 1.149 387 L HN 0.802 nan 8.230 nan 0.000 0.442 388 G N 5.090 113.600 108.800 -0.484 0.000 2.672 388 G HA2 0.683 4.887 3.960 0.406 0.000 0.292 388 G HA3 0.683 4.887 3.960 0.406 0.000 0.292 388 G C -1.483 172.714 174.900 -1.172 0.000 1.375 388 G CA -0.523 43.899 45.100 -1.130 0.000 0.890 388 G HN 0.535 nan 8.290 nan 0.000 0.476 389 I N 0.011 120.158 120.570 -0.706 0.000 2.730 389 I HA 0.481 4.895 4.170 0.406 0.000 0.298 389 I C -1.636 174.605 176.117 0.206 0.000 1.089 389 I CA -1.008 60.176 61.300 -0.193 0.000 1.041 389 I CB 2.735 40.665 38.000 -0.118 0.000 1.235 389 I HN 0.528 nan 8.210 nan 0.000 0.423 390 Y N 4.357 124.766 120.300 0.181 0.000 2.396 390 Y HA 0.389 5.182 4.550 0.405 0.000 0.332 390 Y C -1.512 174.455 175.900 0.111 0.000 1.034 390 Y CA -1.178 57.044 58.100 0.203 0.000 1.057 390 Y CB 1.614 40.260 38.460 0.310 0.000 1.220 390 Y HN 0.494 nan 8.280 nan 0.000 0.440 391 D N 5.434 125.551 120.400 -0.472 0.000 2.443 391 D HA 0.085 4.969 4.640 0.406 0.000 0.221 391 D C 0.236 175.976 176.300 -0.933 0.000 1.097 391 D CA -0.340 53.303 54.000 -0.595 0.000 0.865 391 D CB 0.375 40.983 40.800 -0.319 0.000 1.034 391 D HN 0.679 nan 8.370 nan 0.000 0.511 392 Y N 2.827 122.614 120.300 -0.855 0.000 2.616 392 Y HA 0.119 4.912 4.550 0.405 0.000 0.296 392 Y C 2.049 177.811 175.900 -0.230 0.000 1.154 392 Y CA 0.155 57.891 58.100 -0.606 0.000 1.325 392 Y CB -0.283 38.033 38.460 -0.240 0.000 1.007 392 Y HN 0.260 nan 8.280 nan 0.000 0.542 393 R N 1.132 121.449 120.500 -0.303 0.000 2.055 393 R HA -0.076 4.507 4.340 0.406 0.000 0.221 393 R C 2.224 178.469 176.300 -0.092 0.000 1.154 393 R CA 1.746 57.766 56.100 -0.135 0.000 0.975 393 R CB -0.489 29.696 30.300 -0.192 0.000 0.869 393 R HN 0.473 nan 8.270 nan 0.000 0.437 394 T N -3.282 111.191 114.554 -0.135 0.000 2.985 394 T HA 0.159 4.753 4.350 0.406 0.000 0.266 394 T C 1.468 176.144 174.700 -0.039 0.000 1.076 394 T CA 1.015 63.069 62.100 -0.076 0.000 1.135 394 T CB 0.289 69.108 68.868 -0.082 0.000 0.890 394 T HN 0.525 nan 8.240 nan 0.000 0.480 395 G N 2.134 110.895 108.800 -0.064 0.000 2.217 395 G HA2 -0.286 3.917 3.960 0.406 0.000 0.246 395 G HA3 -0.286 3.917 3.960 0.406 0.000 0.246 395 G C 0.152 175.133 174.900 0.135 0.000 0.990 395 G CA 0.257 45.400 45.100 0.071 0.000 0.627 395 G HN 1.030 nan 8.290 nan 0.000 0.522 396 K N -0.135 120.288 120.400 0.039 0.000 2.336 396 K HA 0.580 5.144 4.320 0.406 0.000 0.262 396 K C 0.029 176.730 176.600 0.169 0.000 0.992 396 K CA 0.369 56.694 56.287 0.064 0.000 0.927 396 K CB 1.064 33.565 32.500 0.003 0.000 0.956 396 K HN 1.416 nan 8.250 nan 0.000 0.495 397 A N 2.025 124.937 122.820 0.152 0.000 2.893 397 A HA 0.121 4.685 4.320 0.406 0.000 0.298 397 A C -0.710 176.912 177.584 0.063 0.000 1.227 397 A CA -0.740 51.429 52.037 0.220 0.000 0.845 397 A CB 0.231 19.421 19.000 0.316 0.000 1.430 397 A HN 0.875 nan 8.150 nan 0.000 0.493 398 E N 1.305 121.478 120.200 -0.045 0.000 2.391 398 E HA 0.447 5.040 4.350 0.406 0.000 0.255 398 E C -0.281 176.147 176.600 -0.286 0.000 1.187 398 E CA -0.142 56.151 56.400 -0.178 0.000 0.941 398 E CB 0.630 30.174 29.700 -0.261 0.000 1.010 398 E HN 0.427 nan 8.360 nan 0.000 0.458 399 K N 2.975 123.158 120.400 -0.362 0.000 2.731 399 K HA 0.177 4.740 4.320 0.406 0.000 0.257 399 K C -1.309 175.109 176.600 -0.304 0.000 1.032 399 K CA -0.420 55.652 56.287 -0.359 0.000 0.983 399 K CB 0.403 32.819 32.500 -0.139 0.000 1.248 399 K HN 0.370 nan 8.250 nan 0.000 0.484 400 F N 2.330 122.266 119.950 -0.023 0.000 2.628 400 F HA -0.070 4.700 4.527 0.405 0.000 0.346 400 F C 1.984 177.799 175.800 0.025 0.000 1.188 400 F CA 0.216 58.224 58.000 0.014 0.000 1.376 400 F CB 0.588 39.612 39.000 0.040 0.000 1.104 400 F HN 0.582 nan 8.300 nan 0.000 0.616 401 E N -0.040 120.306 120.200 0.243 0.000 2.498 401 E HA 0.024 4.618 4.350 0.406 0.000 0.203 401 E C -0.368 176.429 176.600 0.328 0.000 1.013 401 E CA 0.159 56.622 56.400 0.104 0.000 0.927 401 E CB -0.278 29.434 29.700 0.020 0.000 1.012 401 E HN 0.525 nan 8.360 nan 0.000 0.482 402 E N 2.054 122.463 120.200 0.349 0.000 2.299 402 E HA 0.083 4.676 4.350 0.406 0.000 0.272 402 E C -0.412 176.389 176.600 0.334 0.000 1.043 402 E CA -0.126 56.434 56.400 0.267 0.000 0.895 402 E CB 0.483 30.251 29.700 0.113 0.000 1.011 402 E HN 0.249 nan 8.360 nan 0.000 0.432 403 N N 3.336 122.159 118.700 0.206 0.000 2.470 403 N HA 0.039 5.023 4.740 0.406 0.000 0.268 403 N C 0.542 175.933 175.510 -0.199 0.000 1.136 403 N CA -0.261 52.660 53.050 -0.214 0.000 0.961 403 N CB 0.491 38.915 38.487 -0.106 0.000 1.067 403 N HN 0.359 nan 8.380 nan 0.000 0.468 404 L N 3.108 124.155 121.223 -0.294 0.000 2.607 404 L HA 0.346 4.929 4.340 0.406 0.000 0.228 404 L C 1.317 178.111 176.870 -0.126 0.000 1.123 404 L CA 0.059 54.810 54.840 -0.147 0.000 0.890 404 L CB -0.650 41.354 42.059 -0.091 0.000 1.103 404 L HN 0.898 nan 8.230 nan 0.000 0.468 405 G N 0.719 109.411 108.800 -0.180 0.000 2.508 405 G HA2 -0.235 3.969 3.960 0.406 0.000 0.220 405 G HA3 -0.235 3.969 3.960 0.406 0.000 0.220 405 G C -0.486 174.359 174.900 -0.091 0.000 1.287 405 G CA -0.691 44.343 45.100 -0.110 0.000 0.916 405 G HN 0.182 nan 8.290 nan 0.000 0.574 406 N N 0.770 119.469 118.700 -0.002 0.000 2.469 406 N HA 0.423 5.406 4.740 0.406 0.000 0.239 406 N C 0.136 175.697 175.510 0.084 0.000 1.053 406 N CA -0.109 52.959 53.050 0.031 0.000 0.937 406 N CB 1.558 40.148 38.487 0.172 0.000 1.163 406 N HN 0.546 nan 8.380 nan 0.000 0.509 407 V N 2.886 122.772 119.914 -0.046 0.000 2.530 407 V HA 0.195 4.559 4.120 0.406 0.000 0.282 407 V C 0.615 176.667 176.094 -0.071 0.000 1.048 407 V CA 0.134 62.461 62.300 0.044 0.000 0.997 407 V CB 0.371 32.246 31.823 0.087 0.000 0.987 407 V HN 0.546 nan 8.190 nan 0.000 0.477 408 F N 2.115 122.165 119.950 0.167 0.000 2.767 408 F HA 0.652 5.421 4.527 0.404 0.000 0.323 408 F C 0.772 176.545 175.800 -0.044 0.000 1.091 408 F CA 0.425 58.530 58.000 0.175 0.000 1.192 408 F CB 0.646 39.727 39.000 0.135 0.000 1.056 408 F HN 0.564 nan 8.300 nan 0.000 0.571 409 A N 0.866 123.681 122.820 -0.008 0.000 2.594 409 A HA 0.784 5.348 4.320 0.406 0.000 0.295 409 A C -1.377 176.191 177.584 -0.027 0.000 1.071 409 A CA -0.494 51.448 52.037 -0.158 0.000 0.685 409 A CB 2.030 21.027 19.000 -0.003 0.000 1.285 409 A HN -0.007 nan 8.150 nan 0.000 0.405 410 M N 1.376 120.940 119.600 -0.059 0.000 2.365 410 M HA 0.598 5.322 4.480 0.406 0.000 0.287 410 M C -0.818 175.600 176.300 0.196 0.000 1.154 410 M CA -0.019 55.352 55.300 0.119 0.000 0.941 410 M CB 1.994 34.594 32.600 -0.000 0.000 1.704 410 M HN 1.456 nan 8.290 nan 0.000 0.479 411 G N 2.389 111.374 108.800 0.308 0.000 2.690 411 G HA2 0.712 4.915 3.960 0.406 0.000 0.293 411 G HA3 0.712 4.915 3.960 0.406 0.000 0.293 411 G C -2.113 172.878 174.900 0.151 0.000 1.399 411 G CA -0.438 44.825 45.100 0.271 0.000 0.890 411 G HN 0.555 nan 8.290 nan 0.000 0.485 412 V N 1.594 121.552 119.914 0.074 0.000 2.680 412 V HA 0.436 4.799 4.120 0.406 0.000 0.309 412 V C -0.540 175.475 176.094 -0.132 0.000 1.052 412 V CA -0.974 61.303 62.300 -0.040 0.000 0.908 412 V CB 1.945 33.758 31.823 -0.016 0.000 1.001 412 V HN 0.950 nan 8.190 nan 0.000 0.431 413 D N 3.372 123.535 120.400 -0.394 0.000 2.362 413 D HA 0.041 4.924 4.640 0.406 0.000 0.242 413 D C 0.972 177.146 176.300 -0.210 0.000 1.132 413 D CA -0.526 53.230 54.000 -0.406 0.000 0.907 413 D CB 1.227 41.490 40.800 -0.895 0.000 1.195 413 D HN 0.498 nan 8.370 nan 0.000 0.429 414 R N 1.554 121.989 120.500 -0.108 0.000 2.170 414 R HA -0.170 4.414 4.340 0.406 0.000 0.242 414 R C 0.714 176.977 176.300 -0.062 0.000 1.145 414 R CA 1.425 57.494 56.100 -0.051 0.000 0.984 414 R CB -0.232 30.062 30.300 -0.009 0.000 0.869 414 R HN 0.564 nan 8.270 nan 0.000 0.455 415 N N -0.670 117.971 118.700 -0.099 0.000 2.313 415 N HA 0.104 5.088 4.740 0.406 0.000 0.207 415 N C 0.303 175.762 175.510 -0.085 0.000 1.141 415 N CA 0.325 53.331 53.050 -0.073 0.000 0.830 415 N CB 0.949 39.405 38.487 -0.052 0.000 1.008 415 N HN 0.325 nan 8.380 nan 0.000 0.481 416 G N 1.214 109.946 108.800 -0.113 0.000 2.337 416 G HA2 -0.377 3.827 3.960 0.406 0.000 0.290 416 G HA3 -0.377 3.827 3.960 0.406 0.000 0.290 416 G C 0.975 175.831 174.900 -0.074 0.000 1.003 416 G CA 1.132 46.179 45.100 -0.088 0.000 0.825 416 G HN 0.359 nan 8.290 nan 0.000 0.509 417 K N -1.102 119.226 120.400 -0.119 0.000 2.078 417 K HA 0.371 4.935 4.320 0.406 0.000 0.203 417 K C 0.999 177.646 176.600 0.078 0.000 1.043 417 K CA 1.290 57.581 56.287 0.007 0.000 0.960 417 K CB 0.098 32.664 32.500 0.110 0.000 0.761 417 K HN 0.662 nan 8.250 nan 0.000 0.448 418 F N -1.740 118.213 119.950 0.005 0.000 2.664 418 F HA 0.805 5.572 4.527 0.399 0.000 0.329 418 F C -0.951 174.853 175.800 0.007 0.000 1.090 418 F CA -1.830 56.166 58.000 -0.007 0.000 0.978 418 F CB 0.989 39.977 39.000 -0.020 0.000 1.378 418 F HN -0.198 nan 8.300 nan 0.000 0.495 419 A N 0.473 123.426 122.820 0.222 0.000 2.435 419 A HA 0.863 5.427 4.320 0.406 0.000 0.296 419 A C -1.738 175.963 177.584 0.196 0.000 1.147 419 A CA -0.940 51.174 52.037 0.128 0.000 0.775 419 A CB 1.728 20.779 19.000 0.085 0.000 1.340 419 A HN 0.798 nan 8.150 nan 0.000 0.427 420 V N 0.539 120.494 119.914 0.068 0.000 2.588 420 V HA 0.623 4.987 4.120 0.406 0.000 0.304 420 V C -0.768 175.231 176.094 -0.158 0.000 1.042 420 V CA -0.371 61.828 62.300 -0.169 0.000 0.877 420 V CB 1.606 33.120 31.823 -0.514 0.000 0.996 420 V HN 0.730 nan 8.190 nan 0.000 0.425 421 V N 2.991 122.803 119.914 -0.170 0.000 2.841 421 V HA 0.905 5.268 4.120 0.406 0.000 0.310 421 V C -0.124 175.973 176.094 0.005 0.000 1.090 421 V CA -0.594 61.701 62.300 -0.007 0.000 0.930 421 V CB 2.124 33.956 31.823 0.016 0.000 1.014 421 V HN 1.012 nan 8.190 nan 0.000 0.425 422 A N 3.843 126.752 122.820 0.148 0.000 2.355 422 A HA 0.891 5.454 4.320 0.406 0.000 0.317 422 A C -0.455 177.249 177.584 0.199 0.000 1.094 422 A CA -0.688 51.452 52.037 0.172 0.000 0.764 422 A CB 1.072 20.239 19.000 0.278 0.000 1.230 422 A HN 1.028 nan 8.150 nan 0.000 0.448 423 N N 0.104 118.914 118.700 0.185 0.000 2.761 423 N HA 0.404 5.387 4.740 0.406 0.000 0.283 423 N C -0.710 174.949 175.510 0.248 0.000 1.377 423 N CA -0.498 52.689 53.050 0.228 0.000 0.791 423 N CB 1.151 39.702 38.487 0.108 0.000 1.540 423 N HN 0.405 nan 8.380 nan 0.000 0.539 424 D N -0.577 119.961 120.400 0.229 0.000 2.363 424 D HA -0.043 4.840 4.640 0.406 0.000 0.226 424 D C 0.779 176.989 176.300 -0.150 0.000 1.020 424 D CA 0.334 54.392 54.000 0.098 0.000 0.892 424 D CB -0.204 40.639 40.800 0.072 0.000 0.900 424 D HN 0.438 nan 8.370 nan 0.000 0.531 425 R N -0.424 120.017 120.500 -0.098 0.000 2.317 425 R HA 0.231 4.814 4.340 0.406 0.000 0.208 425 R C 0.138 176.363 176.300 -0.124 0.000 0.914 425 R CA -0.198 55.763 56.100 -0.232 0.000 1.060 425 R CB -0.349 29.885 30.300 -0.110 0.000 1.015 425 R HN 0.140 nan 8.270 nan 0.000 0.498 426 F N 0.388 120.320 119.950 -0.030 0.000 3.043 426 F HA -0.276 4.497 4.527 0.410 0.000 0.290 426 F C -0.288 175.497 175.800 -0.025 0.000 0.844 426 F CA 0.067 58.042 58.000 -0.043 0.000 1.184 426 F CB -1.560 37.399 39.000 -0.069 0.000 1.246 426 F HN 0.213 nan 8.300 nan 0.000 0.536 427 E N 1.117 121.402 120.200 0.142 0.000 2.202 427 E HA 0.610 5.204 4.350 0.406 0.000 0.272 427 E C -0.333 176.266 176.600 -0.002 0.000 0.951 427 E CA -0.971 55.461 56.400 0.053 0.000 0.813 427 E CB 2.769 32.473 29.700 0.007 0.000 1.151 427 E HN 0.118 nan 8.360 nan 0.000 0.398 428 I N 4.422 124.935 120.570 -0.095 0.000 2.474 428 I HA 0.449 4.862 4.170 0.406 0.000 0.294 428 I C -0.865 175.098 176.117 -0.257 0.000 1.005 428 I CA -0.730 60.436 61.300 -0.223 0.000 1.113 428 I CB 1.194 38.936 38.000 -0.430 0.000 1.289 428 I HN 0.749 nan 8.210 nan 0.000 0.436 429 M N 5.704 125.149 119.600 -0.258 0.000 2.721 429 M HA 0.541 5.265 4.480 0.406 0.000 0.271 429 M C -1.600 174.572 176.300 -0.213 0.000 1.259 429 M CA -0.601 54.560 55.300 -0.231 0.000 0.835 429 M CB 2.301 34.808 32.600 -0.154 0.000 1.689 429 M HN 0.489 nan 8.290 nan 0.000 0.470 430 T N -0.128 114.313 114.554 -0.188 0.000 2.855 430 T HA 0.751 5.344 4.350 0.406 0.000 0.281 430 T C -0.743 173.908 174.700 -0.081 0.000 1.007 430 T CA -0.712 61.317 62.100 -0.119 0.000 1.009 430 T CB 1.774 70.506 68.868 -0.226 0.000 0.983 430 T HN 0.566 nan 8.240 nan 0.000 0.455 431 V N 3.029 122.937 119.914 -0.010 0.000 2.407 431 V HA 0.307 4.670 4.120 0.406 0.000 0.291 431 V C 0.178 176.254 176.094 -0.030 0.000 1.018 431 V CA -0.982 61.283 62.300 -0.059 0.000 0.842 431 V CB 1.479 33.262 31.823 -0.066 0.000 0.996 431 V HN 1.067 nan 8.190 nan 0.000 0.426 432 D N 4.576 124.922 120.400 -0.090 0.000 2.368 432 D HA 0.035 4.918 4.640 0.406 0.000 0.268 432 D C 1.065 177.289 176.300 -0.127 0.000 1.298 432 D CA 0.027 53.993 54.000 -0.056 0.000 0.938 432 D CB 1.016 41.764 40.800 -0.087 0.000 1.101 432 D HN 0.529 nan 8.370 nan 0.000 0.509 433 L N 3.338 124.563 121.223 0.003 0.000 2.450 433 L HA -0.121 4.462 4.340 0.406 0.000 0.224 433 L C 2.303 179.264 176.870 0.153 0.000 1.149 433 L CA 0.670 55.553 54.840 0.071 0.000 0.816 433 L CB -0.240 41.887 42.059 0.112 0.000 0.932 433 L HN 0.551 nan 8.230 nan 0.000 0.449 434 E N -0.058 120.177 120.200 0.059 0.000 2.042 434 E HA -0.170 4.424 4.350 0.406 0.000 0.189 434 E C 2.088 178.747 176.600 0.097 0.000 0.974 434 E CA 1.707 58.162 56.400 0.092 0.000 0.806 434 E CB 0.198 29.926 29.700 0.047 0.000 0.769 434 E HN 0.480 nan 8.360 nan 0.000 0.451 435 T N -3.816 110.704 114.554 -0.056 0.000 2.980 435 T HA 0.324 4.917 4.350 0.406 0.000 0.239 435 T C 1.519 175.968 174.700 -0.418 0.000 1.011 435 T CA 1.012 63.060 62.100 -0.087 0.000 1.171 435 T CB 0.690 69.509 68.868 -0.082 0.000 0.873 435 T HN 0.333 nan 8.240 nan 0.000 0.431 436 G N 0.951 109.317 108.800 -0.723 0.000 2.318 436 G HA2 -0.124 4.079 3.960 0.406 0.000 0.172 436 G HA3 -0.124 4.079 3.960 0.406 0.000 0.172 436 G C -0.013 174.605 174.900 -0.470 0.000 1.002 436 G CA -0.023 44.371 45.100 -1.176 0.000 0.697 436 G HN 0.741 nan 8.290 nan 0.000 0.483 437 K N 2.604 122.837 120.400 -0.279 0.000 2.419 437 K HA 0.281 4.844 4.320 0.406 0.000 0.282 437 K C -1.988 174.526 176.600 -0.143 0.000 1.056 437 K CA -0.839 55.355 56.287 -0.156 0.000 1.035 437 K CB 0.674 33.110 32.500 -0.107 0.000 0.921 437 K HN 0.192 nan 8.250 nan 0.000 0.472 438 P HA 0.144 nan 4.420 nan 0.000 0.282 438 P C -1.120 176.121 177.300 -0.098 0.000 1.249 438 P CA -0.449 62.590 63.100 -0.101 0.000 0.806 438 P CB 1.376 33.029 31.700 -0.078 0.000 0.984 439 T N 1.325 115.810 114.554 -0.115 0.000 3.066 439 T HA 0.199 4.793 4.350 0.406 0.000 0.318 439 T C -0.190 174.412 174.700 -0.163 0.000 0.979 439 T CA -0.379 61.645 62.100 -0.126 0.000 1.025 439 T CB 0.639 69.430 68.868 -0.129 0.000 1.002 439 T HN 0.075 nan 8.240 nan 0.000 0.453 440 V N 5.128 124.956 119.914 -0.143 0.000 2.529 440 V HA 0.087 4.450 4.120 0.406 0.000 0.292 440 V C 1.069 177.029 176.094 -0.223 0.000 1.028 440 V CA 0.200 62.406 62.300 -0.158 0.000 1.074 440 V CB 0.219 31.980 31.823 -0.103 0.000 0.958 440 V HN 0.767 nan 8.190 nan 0.000 0.481 441 I N 2.915 123.306 120.570 -0.299 0.000 2.364 441 I HA 0.183 4.596 4.170 0.406 0.000 0.241 441 I C 1.017 176.989 176.117 -0.241 0.000 1.082 441 I CA 1.062 62.105 61.300 -0.428 0.000 1.401 441 I CB 0.119 37.756 38.000 -0.606 0.000 1.126 441 I HN 0.804 nan 8.210 nan 0.000 0.429 442 E N -0.449 119.656 120.200 -0.158 0.000 2.412 442 E HA 0.477 5.070 4.350 0.406 0.000 0.279 442 E C -0.944 175.712 176.600 0.093 0.000 0.984 442 E CA -0.826 55.572 56.400 -0.003 0.000 0.788 442 E CB 1.875 31.622 29.700 0.079 0.000 1.277 442 E HN -0.028 nan 8.360 nan 0.000 0.455 443 R N 1.708 122.331 120.500 0.206 0.000 2.561 443 R HA 0.421 5.005 4.340 0.406 0.000 0.297 443 R C -1.338 175.176 176.300 0.358 0.000 0.969 443 R CA -0.428 55.807 56.100 0.225 0.000 0.879 443 R CB 1.971 32.347 30.300 0.127 0.000 1.178 443 R HN 0.424 nan 8.270 nan 0.000 0.445 444 S N 2.010 117.831 115.700 0.201 0.000 2.617 444 S HA 0.297 5.010 4.470 0.406 0.000 0.283 444 S C 0.548 175.198 174.600 0.083 0.000 1.189 444 S CA -0.806 57.313 58.200 -0.133 0.000 1.036 444 S CB 0.900 63.703 63.200 -0.660 0.000 1.014 444 S HN 0.789 nan 8.310 nan 0.000 0.522 445 R N 1.523 122.044 120.500 0.034 0.000 2.509 445 R HA 0.396 4.979 4.340 0.406 0.000 0.300 445 R C -0.071 176.309 176.300 0.135 0.000 0.985 445 R CA -0.310 55.905 56.100 0.192 0.000 1.092 445 R CB 0.110 30.483 30.300 0.121 0.000 1.237 445 R HN 0.446 nan 8.270 nan 0.000 0.546 446 E N 0.857 120.943 120.200 -0.190 0.000 2.288 446 E HA 0.329 4.922 4.350 0.406 0.000 0.200 446 E C 0.330 176.455 176.600 -0.791 0.000 0.880 446 E CA 0.755 56.973 56.400 -0.304 0.000 0.971 446 E CB 1.044 30.581 29.700 -0.273 0.000 0.954 446 E HN 0.337 nan 8.360 nan 0.000 0.489 447 A N 0.397 122.435 122.820 -1.303 0.000 2.581 447 A HA 0.634 5.198 4.320 0.406 0.000 0.290 447 A C -0.858 175.993 177.584 -1.223 0.000 1.119 447 A CA -0.725 50.450 52.037 -1.437 0.000 0.670 447 A CB 0.676 19.309 19.000 -0.612 0.000 1.280 447 A HN 0.015 nan 8.150 nan 0.000 0.425 448 M N 0.740 119.974 119.600 -0.610 0.000 2.248 448 M HA 0.231 4.955 4.480 0.406 0.000 0.337 448 M C -0.341 175.898 176.300 -0.101 0.000 1.121 448 M CA 0.706 55.914 55.300 -0.154 0.000 1.155 448 M CB 0.096 32.692 32.600 -0.005 0.000 1.514 448 M HN 0.464 nan 8.290 nan 0.000 0.452 449 I N 2.826 123.406 120.570 0.016 0.000 2.261 449 I HA 0.040 4.453 4.170 0.406 0.000 0.285 449 I C 1.164 177.413 176.117 0.219 0.000 1.113 449 I CA -0.113 61.244 61.300 0.096 0.000 1.377 449 I CB -0.421 37.632 38.000 0.087 0.000 1.530 449 I HN 0.802 nan 8.210 nan 0.000 0.607 450 T N -2.492 112.149 114.554 0.144 0.000 3.081 450 T HA 0.045 4.638 4.350 0.406 0.000 0.250 450 T C 0.617 175.266 174.700 -0.084 0.000 1.100 450 T CA -0.118 62.040 62.100 0.096 0.000 1.038 450 T CB 0.023 68.920 68.868 0.048 0.000 0.962 450 T HN 0.216 nan 8.240 nan 0.000 0.516 451 D N 1.569 121.999 120.400 0.050 0.000 2.467 451 D HA 0.436 5.319 4.640 0.406 0.000 0.220 451 D C -0.722 175.681 176.300 0.172 0.000 1.103 451 D CA -0.951 53.056 54.000 0.012 0.000 0.886 451 D CB -0.115 40.747 40.800 0.104 0.000 1.025 451 D HN 0.507 nan 8.370 nan 0.000 0.514 452 F N -0.153 119.891 119.950 0.158 0.000 2.685 452 F HA 0.723 5.487 4.527 0.395 0.000 0.315 452 F C -0.665 175.247 175.800 0.186 0.000 1.126 452 F CA -0.976 57.153 58.000 0.216 0.000 0.950 452 F CB 1.909 41.056 39.000 0.245 0.000 1.360 452 F HN -0.024 nan 8.300 nan 0.000 0.469 453 T N 1.287 116.196 114.554 0.592 0.000 2.868 453 T HA 0.698 5.292 4.350 0.406 0.000 0.306 453 T C -1.620 173.423 174.700 0.572 0.000 1.224 453 T CA -0.622 61.767 62.100 0.481 0.000 1.012 453 T CB 1.590 70.632 68.868 0.290 0.000 1.221 453 T HN 0.666 nan 8.240 nan 0.000 0.499 454 I N 3.034 123.899 120.570 0.491 0.000 2.474 454 I HA 0.412 4.825 4.170 0.406 0.000 0.294 454 I C 0.721 177.052 176.117 0.356 0.000 1.005 454 I CA -0.956 60.600 61.300 0.427 0.000 1.113 454 I CB 2.213 40.389 38.000 0.293 0.000 1.289 454 I HN 0.702 nan 8.210 nan 0.000 0.436 455 S N 2.286 118.053 115.700 0.113 0.000 2.584 455 S HA 0.095 4.809 4.470 0.406 0.000 0.270 455 S C 0.472 175.081 174.600 0.016 0.000 1.346 455 S CA -0.548 57.568 58.200 -0.141 0.000 1.018 455 S CB 1.050 63.841 63.200 -0.682 0.000 0.899 455 S HN 0.585 nan 8.310 nan 0.000 0.542 456 D N 1.539 121.970 120.400 0.052 0.000 2.178 456 D HA -0.118 4.766 4.640 0.406 0.000 0.201 456 D C 1.402 177.714 176.300 0.020 0.000 0.980 456 D CA 1.567 55.598 54.000 0.052 0.000 0.842 456 D CB -0.490 40.354 40.800 0.073 0.000 0.948 456 D HN 0.837 nan 8.370 nan 0.000 0.472 457 N N -0.666 118.036 118.700 0.004 0.000 2.449 457 N HA -0.005 4.979 4.740 0.406 0.000 0.191 457 N C -0.037 175.456 175.510 -0.028 0.000 1.161 457 N CA 0.224 53.269 53.050 -0.007 0.000 0.863 457 N CB 0.224 38.715 38.487 0.006 0.000 0.980 457 N HN -0.228 nan 8.380 nan 0.000 0.458 458 S N -1.271 114.426 115.700 -0.006 0.000 3.270 458 S HA -0.280 4.434 4.470 0.406 0.000 0.293 458 S C 1.069 175.701 174.600 0.052 0.000 1.278 458 S CA 1.222 59.480 58.200 0.097 0.000 1.038 458 S CB -1.373 61.908 63.200 0.135 0.000 1.218 458 S HN 0.776 nan 8.310 nan 0.000 0.659 459 R N -0.135 120.232 120.500 -0.222 0.000 2.112 459 R HA 0.275 4.859 4.340 0.406 0.000 0.216 459 R C 0.040 175.916 176.300 -0.707 0.000 1.080 459 R CA 0.947 56.704 56.100 -0.572 0.000 0.996 459 R CB 0.260 29.978 30.300 -0.970 0.000 0.902 459 R HN 0.384 nan 8.270 nan 0.000 0.449 460 F N 0.040 119.865 119.950 -0.208 0.000 2.538 460 F HA 0.505 5.286 4.527 0.423 0.000 0.325 460 F C -0.320 175.543 175.800 0.106 0.000 1.066 460 F CA -1.188 56.727 58.000 -0.142 0.000 0.946 460 F CB 1.796 40.619 39.000 -0.295 0.000 1.199 460 F HN -0.237 nan 8.300 nan 0.000 0.473 461 I N 2.096 122.973 120.570 0.512 0.000 2.439 461 I HA 0.543 4.956 4.170 0.406 0.000 0.285 461 I C -0.724 175.775 176.117 0.637 0.000 1.021 461 I CA -0.659 60.994 61.300 0.589 0.000 1.091 461 I CB 1.658 39.962 38.000 0.507 0.000 1.242 461 I HN 0.698 nan 8.210 nan 0.000 0.439 462 A N 6.876 130.060 122.820 0.605 0.000 2.305 462 A HA 0.866 5.429 4.320 0.406 0.000 0.322 462 A C -1.200 176.605 177.584 0.369 0.000 1.187 462 A CA -0.280 51.926 52.037 0.283 0.000 0.825 462 A CB 0.604 19.607 19.000 0.005 0.000 1.164 462 A HN 0.696 nan 8.150 nan 0.000 0.498 463 Y N -0.613 119.822 120.300 0.226 0.000 2.609 463 Y HA 0.704 5.506 4.550 0.419 0.000 0.336 463 Y C 0.208 176.202 175.900 0.157 0.000 1.129 463 Y CA -1.032 57.211 58.100 0.239 0.000 1.040 463 Y CB 0.701 39.346 38.460 0.307 0.000 1.310 463 Y HN 0.819 nan 8.280 nan 0.000 0.460 464 G N 1.452 110.424 108.800 0.287 0.000 2.380 464 G HA2 0.376 4.579 3.960 0.406 0.000 0.262 464 G HA3 0.376 4.579 3.960 0.406 0.000 0.262 464 G C -1.863 173.179 174.900 0.237 0.000 1.243 464 G CA -0.348 44.853 45.100 0.168 0.000 0.865 464 G HN 0.690 nan 8.290 nan 0.000 0.513 465 F N 5.978 125.877 119.950 -0.085 0.000 2.366 465 F HA 0.439 5.204 4.527 0.397 0.000 0.366 465 F C -1.966 173.765 175.800 -0.115 0.000 1.096 465 F CA -2.857 55.059 58.000 -0.141 0.000 1.060 465 F CB 2.107 40.747 39.000 -0.599 0.000 1.282 465 F HN 0.264 nan 8.300 nan 0.000 0.450 466 P HA 0.220 nan 4.420 nan 0.000 0.268 466 P C -1.304 175.687 177.300 -0.515 0.000 1.204 466 P CA 0.152 62.998 63.100 -0.425 0.000 0.768 466 P CB 1.439 32.899 31.700 -0.400 0.000 0.842 467 L N -0.218 120.880 121.223 -0.208 0.000 2.600 467 L HA 0.746 5.330 4.340 0.406 0.000 0.257 467 L C -1.018 175.860 176.870 0.013 0.000 1.048 467 L CA -0.913 53.885 54.840 -0.069 0.000 0.869 467 L CB 2.007 44.134 42.059 0.113 0.000 1.482 467 L HN 0.105 nan 8.230 nan 0.000 0.408 468 K N -0.625 119.817 120.400 0.069 0.000 2.435 468 K HA 0.477 5.041 4.320 0.406 0.000 0.251 468 K C -0.134 176.598 176.600 0.219 0.000 0.954 468 K CA -0.731 55.616 56.287 0.100 0.000 0.820 468 K CB 2.030 34.553 32.500 0.037 0.000 1.292 468 K HN 0.771 nan 8.250 nan 0.000 0.436 469 H N 0.085 119.167 119.070 0.020 0.000 2.415 469 H HA 0.043 4.841 4.556 0.403 0.000 0.297 469 H C 0.800 176.138 175.328 0.017 0.000 1.048 469 H CA 0.196 56.256 56.048 0.021 0.000 1.365 469 H CB 0.698 30.473 29.762 0.020 0.000 1.421 469 H HN 0.604 nan 8.280 nan 0.000 0.533 470 G N -0.237 108.652 108.800 0.148 0.000 2.498 470 G HA2 0.156 4.360 3.960 0.406 0.000 0.312 470 G HA3 0.156 4.360 3.960 0.406 0.000 0.312 470 G C 0.219 175.145 174.900 0.043 0.000 1.230 470 G CA -0.436 44.709 45.100 0.076 0.000 0.968 470 G HN 0.245 nan 8.290 nan 0.000 0.481 471 E N -0.548 119.665 120.200 0.022 0.000 2.153 471 E HA -0.155 4.439 4.350 0.406 0.000 0.194 471 E C 1.843 178.434 176.600 -0.014 0.000 0.988 471 E CA 1.870 58.272 56.400 0.003 0.000 0.811 471 E CB 0.085 29.781 29.700 -0.007 0.000 0.746 471 E HN 0.459 nan 8.360 nan 0.000 0.466 472 T N -1.438 113.107 114.554 -0.015 0.000 3.186 472 T HA 0.092 4.685 4.350 0.406 0.000 0.257 472 T C 0.266 174.952 174.700 -0.024 0.000 1.029 472 T CA -0.463 61.618 62.100 -0.032 0.000 0.916 472 T CB 0.120 68.966 68.868 -0.036 0.000 1.041 472 T HN -0.028 nan 8.240 nan 0.000 0.562 473 D N 1.487 121.882 120.400 -0.008 0.000 2.455 473 D HA 0.149 5.032 4.640 0.406 0.000 0.241 473 D C 1.378 177.653 176.300 -0.040 0.000 1.138 473 D CA 0.401 54.402 54.000 0.002 0.000 0.877 473 D CB 1.277 42.089 40.800 0.020 0.000 1.187 473 D HN 0.338 nan 8.370 nan 0.000 0.451 474 G N 2.736 111.509 108.800 -0.045 0.000 2.813 474 G HA2 -0.086 4.117 3.960 0.406 0.000 0.209 474 G HA3 -0.086 4.117 3.960 0.406 0.000 0.209 474 G C -0.004 174.615 174.900 -0.468 0.000 1.150 474 G CA 0.379 45.344 45.100 -0.225 0.000 0.785 474 G HN 0.447 nan 8.290 nan 0.000 0.535 475 Y N -1.086 119.162 120.300 -0.087 0.000 2.462 475 Y HA 0.536 5.328 4.550 0.405 0.000 0.346 475 Y C -0.413 175.411 175.900 -0.126 0.000 0.976 475 Y CA -0.983 57.049 58.100 -0.113 0.000 1.044 475 Y CB 2.532 40.921 38.460 -0.117 0.000 1.230 475 Y HN -0.200 nan 8.280 nan 0.000 0.455 476 V N 5.179 125.086 119.914 -0.011 0.000 2.394 476 V HA 0.329 4.693 4.120 0.406 0.000 0.282 476 V C 0.005 176.069 176.094 -0.050 0.000 1.031 476 V CA -0.745 61.517 62.300 -0.063 0.000 0.881 476 V CB 0.984 32.727 31.823 -0.133 0.000 0.982 476 V HN 0.716 nan 8.190 nan 0.000 0.451 477 M N 3.679 123.264 119.600 -0.025 0.000 2.369 477 M HA 0.527 5.251 4.480 0.406 0.000 0.291 477 M C -0.296 176.028 176.300 0.041 0.000 1.178 477 M CA -0.261 55.048 55.300 0.016 0.000 0.996 477 M CB 0.923 33.546 32.600 0.039 0.000 1.472 477 M HN 0.725 nan 8.290 nan 0.000 0.496 478 Q N 0.212 120.087 119.800 0.124 0.000 2.263 478 Q HA 0.671 5.255 4.340 0.406 0.000 0.262 478 Q C -2.132 173.935 176.000 0.112 0.000 0.984 478 Q CA -0.424 55.462 55.803 0.138 0.000 0.813 478 Q CB 2.160 31.075 28.738 0.295 0.000 1.299 478 Q HN 0.854 nan 8.270 nan 0.000 0.428 479 A N 4.366 127.227 122.820 0.068 0.000 2.355 479 A HA 0.707 5.270 4.320 0.406 0.000 0.324 479 A C -0.818 176.743 177.584 -0.038 0.000 1.117 479 A CA -0.701 51.350 52.037 0.022 0.000 0.785 479 A CB 1.033 20.081 19.000 0.080 0.000 1.254 479 A HN 0.711 nan 8.150 nan 0.000 0.453 480 I N 2.325 122.825 120.570 -0.116 0.000 2.395 480 I HA 0.265 4.678 4.170 0.406 0.000 0.289 480 I C -0.289 175.804 176.117 -0.041 0.000 1.023 480 I CA 0.074 61.268 61.300 -0.177 0.000 1.350 480 I CB 0.494 38.258 38.000 -0.394 0.000 1.409 480 I HN 0.573 nan 8.210 nan 0.000 0.507 481 H N 4.286 123.084 119.070 -0.454 0.000 2.569 481 H HA 0.618 5.412 4.556 0.396 0.000 0.357 481 H C -0.696 174.319 175.328 -0.520 0.000 1.153 481 H CA -0.746 54.979 56.048 -0.537 0.000 1.193 481 H CB 2.168 31.475 29.762 -0.757 0.000 1.602 481 H HN 0.180 nan 8.280 nan 0.000 0.523 482 V N 3.369 123.239 119.914 -0.073 0.000 2.487 482 V HA 0.138 4.502 4.120 0.406 0.000 0.298 482 V C -1.054 175.237 176.094 0.328 0.000 1.028 482 V CA -0.906 61.471 62.300 0.128 0.000 0.860 482 V CB 1.408 33.298 31.823 0.112 0.000 0.991 482 V HN 0.631 nan 8.190 nan 0.000 0.427 483 Y N 3.694 124.183 120.300 0.315 0.000 2.328 483 Y HA 0.528 5.318 4.550 0.400 0.000 0.337 483 Y C -0.108 175.973 175.900 0.301 0.000 1.008 483 Y CA -1.045 57.231 58.100 0.293 0.000 1.129 483 Y CB 1.370 39.994 38.460 0.273 0.000 1.185 483 Y HN 0.685 nan 8.280 nan 0.000 0.476 484 D N 6.942 127.108 120.400 -0.391 0.000 2.373 484 D HA 0.117 5.000 4.640 0.406 0.000 0.227 484 D C 0.896 176.687 176.300 -0.850 0.000 1.091 484 D CA -0.212 53.579 54.000 -0.349 0.000 0.840 484 D CB 1.018 41.827 40.800 0.015 0.000 1.060 484 D HN 0.699 nan 8.370 nan 0.000 0.502 485 M N 1.853 121.037 119.600 -0.693 0.000 2.202 485 M HA -0.127 4.596 4.480 0.406 0.000 0.262 485 M C 0.328 176.429 176.300 -0.333 0.000 1.063 485 M CA 1.303 56.300 55.300 -0.505 0.000 1.097 485 M CB -0.497 31.906 32.600 -0.328 0.000 1.382 485 M HN 0.361 nan 8.290 nan 0.000 0.413 486 E N -0.276 119.745 120.200 -0.299 0.000 2.174 486 E HA 0.420 5.013 4.350 0.406 0.000 0.282 486 E C 0.927 177.453 176.600 -0.123 0.000 0.992 486 E CA 0.199 56.496 56.400 -0.171 0.000 0.803 486 E CB 0.861 30.473 29.700 -0.146 0.000 1.090 486 E HN 0.443 nan 8.360 nan 0.000 0.396 487 G N 3.679 112.437 108.800 -0.071 0.000 2.258 487 G HA2 -0.404 3.799 3.960 0.406 0.000 0.233 487 G HA3 -0.404 3.799 3.960 0.406 0.000 0.233 487 G C 0.500 175.383 174.900 -0.029 0.000 1.006 487 G CA -0.041 45.046 45.100 -0.020 0.000 0.620 487 G HN 0.608 nan 8.290 nan 0.000 0.511 488 R N 0.000 120.436 120.500 -0.107 0.000 3.225 488 R HA -0.203 4.380 4.340 0.406 0.000 0.245 488 R C 0.335 176.701 176.300 0.110 0.000 0.928 488 R CA 1.748 57.839 56.100 -0.014 0.000 0.632 488 R CB -1.627 28.747 30.300 0.123 0.000 1.038 488 R HN 0.883 nan 8.270 nan 0.000 0.461 489 K N -0.077 120.320 120.400 -0.006 0.000 2.375 489 K HA 0.614 5.177 4.320 0.406 0.000 0.249 489 K C -0.375 176.181 176.600 -0.074 0.000 0.942 489 K CA -1.004 55.243 56.287 -0.068 0.000 0.806 489 K CB 2.105 34.459 32.500 -0.244 0.000 1.227 489 K HN -0.016 nan 8.250 nan 0.000 0.430 490 I N 2.486 122.942 120.570 -0.189 0.000 2.336 490 I HA 0.330 4.744 4.170 0.406 0.000 0.292 490 I C -0.849 174.965 176.117 -0.506 0.000 0.991 490 I CA -0.794 60.432 61.300 -0.123 0.000 1.227 490 I CB 0.537 38.499 38.000 -0.063 0.000 1.366 490 I HN 0.445 nan 8.210 nan 0.000 0.466 491 F N 3.719 123.601 119.950 -0.114 0.000 2.523 491 F HA 0.642 5.410 4.527 0.402 0.000 0.329 491 F C 0.471 176.104 175.800 -0.278 0.000 1.061 491 F CA -0.894 57.011 58.000 -0.157 0.000 0.967 491 F CB 1.510 40.460 39.000 -0.084 0.000 1.218 491 F HN 0.363 nan 8.300 nan 0.000 0.480 492 A N 0.977 123.758 122.820 -0.066 0.000 2.316 492 A HA 0.605 5.168 4.320 0.406 0.000 0.311 492 A C 0.759 178.351 177.584 0.015 0.000 1.339 492 A CA 0.070 52.003 52.037 -0.173 0.000 0.960 492 A CB 0.060 18.895 19.000 -0.274 0.000 1.152 492 A HN 0.966 nan 8.150 nan 0.000 0.547 493 A N 2.359 125.153 122.820 -0.044 0.000 2.014 493 A HA 0.292 4.856 4.320 0.406 0.000 0.218 493 A C 1.294 178.837 177.584 -0.067 0.000 1.163 493 A CA 1.859 53.854 52.037 -0.069 0.000 0.652 493 A CB -0.062 18.816 19.000 -0.204 0.000 0.808 493 A HN 0.871 nan 8.150 nan 0.000 0.449 494 T N -1.818 112.670 114.554 -0.111 0.000 2.843 494 T HA 0.487 5.080 4.350 0.406 0.000 0.302 494 T C -0.034 174.569 174.700 -0.161 0.000 1.232 494 T CA 0.115 62.144 62.100 -0.119 0.000 1.009 494 T CB 1.225 69.925 68.868 -0.279 0.000 1.254 494 T HN 0.439 nan 8.240 nan 0.000 0.504 495 T N 0.287 114.760 114.554 -0.135 0.000 2.788 495 T HA 0.364 4.957 4.350 0.406 0.000 0.287 495 T C 0.557 175.221 174.700 -0.061 0.000 1.007 495 T CA -0.426 61.577 62.100 -0.162 0.000 1.005 495 T CB 0.425 69.244 68.868 -0.082 0.000 1.012 495 T HN 0.737 nan 8.240 nan 0.000 0.530 496 E N -0.158 120.031 120.200 -0.018 0.000 2.542 496 E HA 0.236 4.830 4.350 0.406 0.000 0.224 496 E C 0.107 176.821 176.600 0.189 0.000 1.110 496 E CA -0.413 56.039 56.400 0.087 0.000 1.350 496 E CB -0.640 29.123 29.700 0.105 0.000 1.302 496 E HN 0.701 nan 8.360 nan 0.000 0.435 497 N N 0.561 119.324 118.700 0.106 0.000 2.236 497 N HA -0.012 4.972 4.740 0.406 0.000 0.196 497 N C 0.253 175.776 175.510 0.022 0.000 1.114 497 N CA 0.349 53.452 53.050 0.088 0.000 0.859 497 N CB 0.644 39.167 38.487 0.060 0.000 0.982 497 N HN 0.307 nan 8.380 nan 0.000 0.493 498 S N -1.236 114.493 115.700 0.049 0.000 3.813 498 S HA 0.138 4.852 4.470 0.406 0.000 0.309 498 S C -1.398 173.304 174.600 0.171 0.000 1.136 498 S CA -0.835 57.407 58.200 0.069 0.000 1.190 498 S CB 1.162 64.397 63.200 0.059 0.000 1.582 498 S HN 0.108 nan 8.310 nan 0.000 0.647 499 H N 1.355 120.491 119.070 0.109 0.000 2.762 499 H HA 0.491 5.302 4.556 0.427 0.000 0.310 499 H C -1.627 173.871 175.328 0.285 0.000 1.004 499 H CA -0.571 55.583 56.048 0.177 0.000 1.267 499 H CB 0.500 30.393 29.762 0.218 0.000 1.437 499 H HN 0.514 nan 8.280 nan 0.000 0.498 500 D N 5.664 126.126 120.400 0.103 0.000 2.256 500 D HA 0.205 5.088 4.640 0.406 0.000 0.246 500 D C -0.448 175.914 176.300 0.104 0.000 1.042 500 D CA -0.070 53.983 54.000 0.087 0.000 0.841 500 D CB 2.092 42.867 40.800 -0.043 0.000 1.223 500 D HN 0.590 nan 8.370 nan 0.000 0.470 501 Y N -2.219 118.006 120.300 -0.126 0.000 2.905 501 Y HA 0.544 5.378 4.550 0.474 0.000 0.322 501 Y C 0.014 175.920 175.900 0.011 0.000 1.455 501 Y CA -1.431 56.609 58.100 -0.100 0.000 1.083 501 Y CB 0.518 38.850 38.460 -0.213 0.000 1.473 501 Y HN 0.381 nan 8.280 nan 0.000 0.449 502 A N -0.064 122.787 122.820 0.052 0.000 2.704 502 A HA -0.142 4.421 4.320 0.406 0.000 0.299 502 A C -2.471 175.098 177.584 -0.024 0.000 1.507 502 A CA 0.389 52.419 52.037 -0.011 0.000 0.776 502 A CB -2.638 16.302 19.000 -0.101 0.000 1.027 502 A HN 0.587 nan 8.150 nan 0.000 0.475 503 P HA 0.398 nan 4.420 nan 0.000 0.267 503 P C -0.177 177.095 177.300 -0.047 0.000 1.200 503 P CA 1.001 64.086 63.100 -0.026 0.000 0.772 503 P CB 1.048 32.700 31.700 -0.080 0.000 0.855 504 A N 2.977 125.744 122.820 -0.090 0.000 2.465 504 A HA 0.603 5.166 4.320 0.406 0.000 0.292 504 A C -1.024 176.538 177.584 -0.037 0.000 1.041 504 A CA -0.578 51.439 52.037 -0.033 0.000 0.718 504 A CB 0.593 19.603 19.000 0.016 0.000 1.266 504 A HN 0.317 nan 8.150 nan 0.000 0.403 505 F N 1.663 121.725 119.950 0.185 0.000 2.371 505 F HA 0.412 5.284 4.527 0.575 0.000 0.329 505 F C 0.838 176.756 175.800 0.197 0.000 1.107 505 F CA 0.011 58.134 58.000 0.205 0.000 1.137 505 F CB 1.219 40.325 39.000 0.177 0.000 1.214 505 F HN 0.702 nan 8.300 nan 0.000 0.536 506 D N 1.117 121.789 120.400 0.453 0.000 2.312 506 D HA 0.303 5.186 4.640 0.406 0.000 0.248 506 D C 0.812 177.257 176.300 0.240 0.000 1.086 506 D CA -0.416 53.758 54.000 0.290 0.000 0.948 506 D CB 0.927 41.925 40.800 0.330 0.000 1.162 506 D HN 0.565 nan 8.370 nan 0.000 0.446 507 A N 1.444 124.358 122.820 0.157 0.000 1.940 507 A HA -0.283 4.280 4.320 0.406 0.000 0.221 507 A C 1.528 179.190 177.584 0.129 0.000 1.190 507 A CA 1.963 54.076 52.037 0.127 0.000 0.647 507 A CB -0.726 18.326 19.000 0.087 0.000 0.821 507 A HN 0.613 nan 8.150 nan 0.000 0.457 508 D N -0.576 119.906 120.400 0.136 0.000 2.371 508 D HA 0.095 4.979 4.640 0.406 0.000 0.221 508 D C 0.581 176.979 176.300 0.163 0.000 0.986 508 D CA 1.059 55.134 54.000 0.126 0.000 0.899 508 D CB -0.120 40.748 40.800 0.112 0.000 0.902 508 D HN 0.310 nan 8.370 nan 0.000 0.530 509 S N -1.023 114.798 115.700 0.203 0.000 3.698 509 S HA -0.219 4.494 4.470 0.406 0.000 0.338 509 S C 1.177 175.962 174.600 0.308 0.000 1.089 509 S CA 0.629 58.965 58.200 0.226 0.000 0.991 509 S CB -1.148 62.167 63.200 0.191 0.000 0.909 509 S HN 0.446 nan 8.310 nan 0.000 0.485 510 K N -0.324 120.238 120.400 0.270 0.000 2.370 510 K HA 0.169 4.732 4.320 0.406 0.000 0.194 510 K C 0.073 176.785 176.600 0.186 0.000 1.070 510 K CA 0.363 56.794 56.287 0.240 0.000 0.998 510 K CB 0.255 32.843 32.500 0.147 0.000 0.911 510 K HN 0.468 nan 8.250 nan 0.000 0.533 511 N N 0.569 119.389 118.700 0.201 0.000 2.225 511 N HA 0.283 5.267 4.740 0.406 0.000 0.298 511 N C -1.944 173.631 175.510 0.108 0.000 1.076 511 N CA -0.685 52.405 53.050 0.066 0.000 0.792 511 N CB 2.187 40.624 38.487 -0.084 0.000 1.498 511 N HN -0.131 nan 8.380 nan 0.000 0.474 512 L N 2.374 123.560 121.223 -0.060 0.000 2.287 512 L HA 0.532 5.116 4.340 0.406 0.000 0.287 512 L C -1.624 175.151 176.870 -0.159 0.000 1.022 512 L CA -0.445 54.310 54.840 -0.141 0.000 0.814 512 L CB -0.099 41.826 42.059 -0.223 0.000 1.217 512 L HN 0.495 nan 8.230 nan 0.000 0.420 513 Y N 5.332 125.598 120.300 -0.057 0.000 2.419 513 Y HA 0.659 5.394 4.550 0.309 0.000 0.328 513 Y C -0.282 175.636 175.900 0.030 0.000 1.162 513 Y CA -0.017 58.059 58.100 -0.041 0.000 1.174 513 Y CB 1.445 39.854 38.460 -0.084 0.000 1.228 513 Y HN 0.652 nan 8.280 nan 0.000 0.473 514 Y N -1.498 118.806 120.300 0.006 0.000 2.818 514 Y HA 0.749 5.231 4.550 -0.113 0.000 0.341 514 Y C -2.373 173.433 175.900 -0.156 0.000 1.283 514 Y CA -1.872 56.155 58.100 -0.121 0.000 1.075 514 Y CB 0.829 39.195 38.460 -0.156 0.000 1.370 514 Y HN 0.402 nan 8.280 nan 0.000 0.448 515 L N 1.485 122.522 121.223 -0.309 0.000 2.301 515 L HA 0.893 5.477 4.340 0.406 0.000 0.264 515 L C -0.697 175.927 176.870 -0.409 0.000 1.016 515 L CA -0.960 53.567 54.840 -0.523 0.000 0.821 515 L CB 2.349 43.852 42.059 -0.926 0.000 1.346 515 L HN 0.848 nan 8.230 nan 0.000 0.429 516 S N -0.992 114.633 115.700 -0.125 0.000 2.579 516 S HA 0.457 5.171 4.470 0.406 0.000 0.272 516 S C -1.210 173.423 174.600 0.055 0.000 1.141 516 S CA -0.531 57.719 58.200 0.083 0.000 0.843 516 S CB 1.519 64.764 63.200 0.075 0.000 1.122 516 S HN 0.364 nan 8.310 nan 0.000 0.468 517 Y N 1.101 121.578 120.300 0.295 0.000 2.839 517 Y HA 0.328 5.135 4.550 0.428 0.000 0.361 517 Y C 1.454 177.410 175.900 0.093 0.000 1.008 517 Y CA -0.516 57.702 58.100 0.197 0.000 1.534 517 Y CB -0.146 38.419 38.460 0.175 0.000 1.395 517 Y HN 0.523 nan 8.280 nan 0.000 0.534 518 R N -1.434 119.192 120.500 0.211 0.000 2.290 518 R HA 0.149 4.732 4.340 0.406 0.000 0.197 518 R C 0.693 177.061 176.300 0.114 0.000 0.913 518 R CA 0.163 56.335 56.100 0.120 0.000 1.040 518 R CB 0.361 30.709 30.300 0.079 0.000 0.992 518 R HN -0.006 nan 8.270 nan 0.000 0.500 519 S N 2.235 118.031 115.700 0.159 0.000 4.069 519 S HA 0.184 4.897 4.470 0.406 0.000 0.192 519 S C 0.231 174.887 174.600 0.093 0.000 1.441 519 S CA -0.144 58.133 58.200 0.128 0.000 0.994 519 S CB -0.303 62.975 63.200 0.130 0.000 1.456 519 S HN 0.209 nan 8.310 nan 0.000 0.458 520 L N 2.687 123.918 121.223 0.013 0.000 2.601 520 L HA 0.137 4.721 4.340 0.406 0.000 0.277 520 L C 0.266 177.239 176.870 0.172 0.000 1.219 520 L CA 0.307 55.137 54.840 -0.018 0.000 0.915 520 L CB -0.033 41.898 42.059 -0.213 0.000 1.160 520 L HN 0.329 nan 8.230 nan 0.000 0.494 521 D N 5.077 125.687 120.400 0.350 0.000 2.804 521 D HA 0.315 5.198 4.640 0.406 0.000 0.209 521 D C -2.730 173.737 176.300 0.279 0.000 1.314 521 D CA -1.046 53.111 54.000 0.261 0.000 0.894 521 D CB 2.406 43.301 40.800 0.159 0.000 1.615 521 D HN 0.087 nan 8.370 nan 0.000 0.571 522 P HA 0.376 nan 4.420 nan 0.000 0.281 522 P C -0.731 176.604 177.300 0.057 0.000 1.249 522 P CA -0.508 62.554 63.100 -0.062 0.000 0.810 522 P CB 1.193 32.768 31.700 -0.208 0.000 1.008 523 S N 2.629 118.368 115.700 0.064 0.000 2.482 523 S HA 0.517 5.231 4.470 0.406 0.000 0.303 523 S C -2.416 172.267 174.600 0.137 0.000 1.091 523 S CA -1.299 56.962 58.200 0.100 0.000 1.057 523 S CB 1.393 64.608 63.200 0.025 0.000 1.031 523 S HN 0.437 nan 8.310 nan 0.000 0.485 524 P HA 0.130 nan 4.420 nan 0.000 0.278 524 P C -0.954 176.152 177.300 -0.324 0.000 1.238 524 P CA -0.374 62.545 63.100 -0.301 0.000 0.794 524 P CB 0.651 32.304 31.700 -0.077 0.000 0.955 525 D N 2.533 122.634 120.400 -0.499 0.000 2.304 525 D HA 0.043 4.927 4.640 0.406 0.000 0.250 525 D C 0.973 177.121 176.300 -0.253 0.000 1.107 525 D CA -0.327 53.475 54.000 -0.329 0.000 0.885 525 D CB 0.922 41.499 40.800 -0.371 0.000 1.192 525 D HN 0.113 nan 8.370 nan 0.000 0.436 526 R N 2.614 123.014 120.500 -0.166 0.000 2.275 526 R HA 0.039 4.623 4.340 0.406 0.000 0.199 526 R C 1.232 177.469 176.300 -0.104 0.000 0.989 526 R CA 0.336 56.366 56.100 -0.117 0.000 1.016 526 R CB -0.095 30.160 30.300 -0.076 0.000 0.918 526 R HN 0.340 nan 8.270 nan 0.000 0.473 527 V N -0.646 119.192 119.914 -0.127 0.000 2.996 527 V HA 0.146 4.510 4.120 0.406 0.000 0.235 527 V C 0.763 176.790 176.094 -0.112 0.000 1.205 527 V CA 0.346 62.587 62.300 -0.099 0.000 1.225 527 V CB 0.563 32.336 31.823 -0.083 0.000 0.995 527 V HN -0.210 nan 8.190 nan 0.000 0.484 528 V N 1.664 121.462 119.914 -0.192 0.000 2.612 528 V HA 0.415 4.778 4.120 0.406 0.000 0.301 528 V C -0.203 175.774 176.094 -0.196 0.000 1.046 528 V CA -0.684 61.502 62.300 -0.190 0.000 0.946 528 V CB 1.932 33.516 31.823 -0.398 0.000 1.003 528 V HN 0.333 nan 8.190 nan 0.000 0.459 529 L N 5.106 126.266 121.223 -0.106 0.000 2.623 529 L HA 0.331 4.914 4.340 0.406 0.000 0.281 529 L C -0.035 176.741 176.870 -0.157 0.000 1.150 529 L CA 1.121 55.893 54.840 -0.113 0.000 0.965 529 L CB -1.349 40.711 42.059 0.001 0.000 1.303 529 L HN 0.876 nan 8.230 nan 0.000 0.467 530 N N 3.234 121.699 118.700 -0.392 0.000 3.046 530 N HA 0.511 5.495 4.740 0.406 0.000 0.243 530 N C -1.844 173.232 175.510 -0.724 0.000 1.452 530 N CA -0.591 52.262 53.050 -0.328 0.000 0.882 530 N CB 1.059 39.398 38.487 -0.245 0.000 1.425 530 N HN 0.254 nan 8.380 nan 0.000 0.517 531 F N 0.385 120.254 119.950 -0.136 0.000 2.641 531 F HA 0.483 5.252 4.527 0.405 0.000 0.308 531 F C -0.139 175.485 175.800 -0.294 0.000 1.105 531 F CA -0.386 57.496 58.000 -0.197 0.000 0.964 531 F CB 2.132 41.008 39.000 -0.207 0.000 1.294 531 F HN 0.516 nan 8.300 nan 0.000 0.442 532 S N 0.298 115.891 115.700 -0.178 0.000 2.607 532 S HA 0.733 5.447 4.470 0.406 0.000 0.273 532 S C -1.467 172.872 174.600 -0.435 0.000 1.148 532 S CA -0.904 57.095 58.200 -0.334 0.000 0.833 532 S CB 1.343 64.459 63.200 -0.140 0.000 1.130 532 S HN 0.332 nan 8.310 nan 0.000 0.470 533 F N 2.151 122.118 119.950 0.028 0.000 2.377 533 F HA 0.419 5.192 4.527 0.410 0.000 0.360 533 F C 1.497 177.296 175.800 -0.002 0.000 1.147 533 F CA -0.480 57.532 58.000 0.020 0.000 1.170 533 F CB 0.737 39.742 39.000 0.010 0.000 1.339 533 F HN 0.612 nan 8.300 nan 0.000 0.552 534 E N 1.750 122.022 120.200 0.119 0.000 2.132 534 E HA 0.045 4.639 4.350 0.406 0.000 0.193 534 E C 0.664 177.316 176.600 0.087 0.000 0.951 534 E CA 0.710 57.148 56.400 0.064 0.000 0.843 534 E CB 0.154 29.865 29.700 0.018 0.000 0.807 534 E HN 0.327 nan 8.360 nan 0.000 0.467 535 V N 0.618 120.594 119.914 0.104 0.000 2.235 535 V HA 0.385 4.748 4.120 0.406 0.000 0.266 535 V C 0.397 176.564 176.094 0.121 0.000 1.055 535 V CA -0.572 61.774 62.300 0.077 0.000 0.844 535 V CB 0.696 32.541 31.823 0.037 0.000 1.097 535 V HN 0.025 nan 8.190 nan 0.000 0.453 536 V N 0.001 120.025 119.914 0.183 0.000 3.111 536 V HA 0.508 4.871 4.120 0.406 0.000 0.343 536 V C 0.405 176.640 176.094 0.236 0.000 1.417 536 V CA 0.507 62.935 62.300 0.213 0.000 1.142 536 V CB 0.142 32.112 31.823 0.245 0.000 1.114 536 V HN 0.641 nan 8.190 nan 0.000 0.520 537 S N 1.575 117.357 115.700 0.137 0.000 2.508 537 S HA 0.715 5.428 4.470 0.406 0.000 0.284 537 S C -0.524 174.112 174.600 0.059 0.000 1.192 537 S CA -0.370 57.844 58.200 0.024 0.000 1.070 537 S CB 1.211 64.347 63.200 -0.106 0.000 1.004 537 S HN 0.698 nan 8.310 nan 0.000 0.493 538 K N 3.749 124.222 120.400 0.122 0.000 2.546 538 K HA 0.536 5.100 4.320 0.406 0.000 0.264 538 K C -3.003 173.568 176.600 -0.047 0.000 0.937 538 K CA -2.048 54.280 56.287 0.068 0.000 0.833 538 K CB 2.116 34.572 32.500 -0.074 0.000 1.378 538 K HN 0.370 nan 8.250 nan 0.000 0.432 539 P HA 0.388 nan 4.420 nan 0.000 0.284 539 P C -1.155 175.806 177.300 -0.566 0.000 1.258 539 P CA -0.322 62.596 63.100 -0.304 0.000 0.824 539 P CB 0.707 32.226 31.700 -0.302 0.000 1.038 540 F N -0.056 119.567 119.950 -0.545 0.000 2.629 540 F HA 0.577 5.317 4.527 0.355 0.000 0.316 540 F C -0.058 175.394 175.800 -0.580 0.000 1.081 540 F CA -0.897 56.766 58.000 -0.562 0.000 0.954 540 F CB 2.023 40.571 39.000 -0.753 0.000 1.337 540 F HN 0.089 nan 8.300 nan 0.000 0.474 541 V N 2.567 122.366 119.914 -0.191 0.000 3.078 541 V HA 0.722 5.086 4.120 0.406 0.000 0.311 541 V C -1.597 174.418 176.094 -0.130 0.000 1.138 541 V CA -0.748 61.351 62.300 -0.335 0.000 1.007 541 V CB 2.472 33.938 31.823 -0.595 0.000 1.045 541 V HN 0.601 nan 8.190 nan 0.000 0.432 542 I N 5.924 126.405 120.570 -0.149 0.000 2.529 542 I HA 0.408 4.822 4.170 0.406 0.000 0.284 542 I C -2.684 173.373 176.117 -0.099 0.000 1.088 542 I CA -1.680 59.582 61.300 -0.063 0.000 1.062 542 I CB 2.687 40.690 38.000 0.006 0.000 1.218 542 I HN 0.475 nan 8.210 nan 0.000 0.442 543 P HA 0.178 nan 4.420 nan 0.000 0.276 543 P C 0.567 177.848 177.300 -0.031 0.000 1.235 543 P CA -0.193 62.880 63.100 -0.046 0.000 0.772 543 P CB 1.301 32.979 31.700 -0.036 0.000 0.871 544 L N 2.610 123.840 121.223 0.011 0.000 2.465 544 L HA 0.088 4.671 4.340 0.406 0.000 0.224 544 L C 1.123 178.052 176.870 0.099 0.000 1.145 544 L CA 0.841 55.685 54.840 0.006 0.000 0.834 544 L CB -0.325 41.741 42.059 0.012 0.000 0.944 544 L HN 0.343 nan 8.230 nan 0.000 0.451 545 I N 0.777 121.389 120.570 0.070 0.000 2.359 545 I HA 0.274 4.687 4.170 0.406 0.000 0.284 545 I C -2.216 173.895 176.117 -0.009 0.000 1.018 545 I CA -2.074 59.244 61.300 0.029 0.000 1.173 545 I CB 1.360 39.354 38.000 -0.010 0.000 1.326 545 I HN -0.273 nan 8.210 nan 0.000 0.462 546 P HA -0.013 nan 4.420 nan 0.000 0.264 546 P C 0.944 178.227 177.300 -0.029 0.000 1.179 546 P CA 0.908 63.987 63.100 -0.035 0.000 0.763 546 P CB 0.548 32.225 31.700 -0.039 0.000 0.806 547 G N 1.162 109.944 108.800 -0.029 0.000 2.195 547 G HA2 -0.241 3.963 3.960 0.406 0.000 0.246 547 G HA3 -0.241 3.963 3.960 0.406 0.000 0.246 547 G C 0.477 175.365 174.900 -0.020 0.000 0.984 547 G CA 0.162 45.248 45.100 -0.024 0.000 0.633 547 G HN 0.724 nan 8.290 nan 0.000 0.525 548 S N 2.370 118.058 115.700 -0.020 0.000 2.525 548 S HA 0.675 5.389 4.470 0.406 0.000 0.278 548 S C -1.617 172.973 174.600 -0.016 0.000 1.234 548 S CA -0.769 57.422 58.200 -0.015 0.000 1.058 548 S CB 1.665 64.858 63.200 -0.011 0.000 0.983 548 S HN 0.373 nan 8.310 nan 0.000 0.495 549 P HA 0.206 nan 4.420 nan 0.000 0.281 549 P C -0.943 176.347 177.300 -0.016 0.000 1.281 549 P CA -0.855 62.238 63.100 -0.013 0.000 0.811 549 P CB 0.429 32.126 31.700 -0.006 0.000 1.154 550 N N 1.857 120.544 118.700 -0.021 0.000 2.429 550 N HA -0.011 4.972 4.740 0.406 0.000 0.271 550 N C -1.226 174.284 175.510 -0.000 0.000 1.272 550 N CA -1.368 51.663 53.050 -0.033 0.000 0.921 550 N CB 0.021 38.486 38.487 -0.036 0.000 1.128 550 N HN 0.186 nan 8.380 nan 0.000 0.481 551 P HA -0.176 nan 4.420 nan 0.000 0.216 551 P C 1.022 178.369 177.300 0.079 0.000 1.150 551 P CA 1.658 64.794 63.100 0.060 0.000 0.843 551 P CB -0.228 31.535 31.700 0.105 0.000 0.787 552 T N -3.247 111.365 114.554 0.096 0.000 3.113 552 T HA -0.005 4.588 4.350 0.406 0.000 0.263 552 T C 1.624 176.374 174.700 0.083 0.000 1.143 552 T CA 0.665 62.839 62.100 0.122 0.000 1.090 552 T CB -0.676 68.283 68.868 0.151 0.000 0.922 552 T HN 0.156 nan 8.240 nan 0.000 0.521 553 K N 0.745 121.172 120.400 0.045 0.000 2.486 553 K HA 0.266 4.829 4.320 0.406 0.000 0.194 553 K C 0.439 177.056 176.600 0.030 0.000 1.033 553 K CA 0.021 56.326 56.287 0.030 0.000 1.004 553 K CB -0.409 32.098 32.500 0.012 0.000 0.798 553 K HN 0.402 nan 8.250 nan 0.000 0.495 554 L N 1.035 122.279 121.223 0.035 0.000 3.660 554 L HA -0.199 4.384 4.340 0.406 0.000 0.440 554 L C -0.573 176.307 176.870 0.017 0.000 1.262 554 L CA -0.216 54.640 54.840 0.027 0.000 0.837 554 L CB -1.900 40.173 42.059 0.023 0.000 1.689 554 L HN -0.107 nan 8.230 nan 0.000 0.890 555 V N 0.192 120.115 119.914 0.015 0.000 2.488 555 V HA 0.226 4.589 4.120 0.406 0.000 0.277 555 V C -1.300 174.799 176.094 0.008 0.000 1.046 555 V CA -1.243 61.062 62.300 0.009 0.000 0.986 555 V CB 0.776 32.603 31.823 0.006 0.000 0.989 555 V HN 0.156 nan 8.190 nan 0.000 0.475 556 P HA 0.020 nan 4.420 nan 0.000 0.261 556 P C 0.715 178.018 177.300 0.004 0.000 1.173 556 P CA -0.077 63.026 63.100 0.005 0.000 0.760 556 P CB 0.466 32.168 31.700 0.003 0.000 0.783 557 R N 3.819 124.322 120.500 0.005 0.000 2.105 557 R HA -0.162 4.421 4.340 0.406 0.000 0.239 557 R C 1.877 178.177 176.300 0.001 0.000 1.135 557 R CA 2.418 58.520 56.100 0.003 0.000 0.967 557 R CB -1.284 29.019 30.300 0.004 0.000 0.861 557 R HN 0.529 nan 8.270 nan 0.000 0.442 558 S N -0.707 114.993 115.700 0.001 0.000 2.419 558 S HA -0.125 4.589 4.470 0.406 0.000 0.233 558 S C 1.845 176.444 174.600 -0.001 0.000 1.016 558 S CA 1.383 59.583 58.200 -0.001 0.000 0.974 558 S CB -0.235 62.965 63.200 -0.000 0.000 0.786 558 S HN 0.410 nan 8.310 nan 0.000 0.492 559 M N 2.074 121.674 119.600 -0.001 0.000 2.495 559 M HA 0.128 4.852 4.480 0.406 0.000 0.237 559 M C 0.219 176.518 176.300 -0.002 0.000 1.131 559 M CA 0.287 55.586 55.300 -0.001 0.000 1.032 559 M CB 0.248 32.848 32.600 -0.000 0.000 1.513 559 M HN 0.440 nan 8.290 nan 0.000 0.488 560 T N -1.354 113.199 114.554 -0.002 0.000 2.792 560 T HA 0.446 5.040 4.350 0.406 0.000 0.280 560 T C 0.194 174.890 174.700 -0.006 0.000 0.990 560 T CA -0.880 61.218 62.100 -0.004 0.000 0.960 560 T CB 1.494 70.360 68.868 -0.003 0.000 0.939 560 T HN 0.168 nan 8.240 nan 0.000 0.439 561 S N 2.272 117.967 115.700 -0.008 0.000 3.681 561 S HA 0.389 5.103 4.470 0.406 0.000 0.203 561 S C 0.075 174.667 174.600 -0.013 0.000 1.408 561 S CA -0.742 57.452 58.200 -0.010 0.000 0.942 561 S CB -0.038 63.156 63.200 -0.010 0.000 1.437 561 S HN 0.732 nan 8.310 nan 0.000 0.482 562 E N 2.465 122.657 120.200 -0.013 0.000 4.019 562 E HA 0.683 5.276 4.350 0.406 0.000 0.547 562 E C 0.894 177.480 176.600 -0.023 0.000 0.480 562 E CA 0.444 56.834 56.400 -0.018 0.000 3.361 562 E CB -0.359 29.331 29.700 -0.015 0.000 2.299 562 E HN 1.064 nan 8.360 nan 0.000 0.456 563 A N -0.801 122.001 122.820 -0.030 0.000 3.002 563 A HA -0.044 4.520 4.320 0.406 0.000 0.272 563 A C 0.602 178.160 177.584 -0.044 0.000 1.421 563 A CA 0.668 52.682 52.037 -0.037 0.000 0.766 563 A CB -2.260 16.723 19.000 -0.028 0.000 1.034 563 A HN 0.454 nan 8.150 nan 0.000 0.541 564 G N -1.268 107.501 108.800 -0.052 0.000 2.702 564 G HA2 0.640 4.843 3.960 0.406 0.000 0.254 564 G HA3 0.640 4.843 3.960 0.406 0.000 0.254 564 G C -0.242 174.608 174.900 -0.084 0.000 1.380 564 G CA 0.308 45.376 45.100 -0.053 0.000 1.042 564 G HN 0.725 nan 8.290 nan 0.000 0.557 565 E N -1.677 118.479 120.200 -0.074 0.000 2.359 565 E HA 0.362 4.956 4.350 0.406 0.000 0.266 565 E C -1.053 175.522 176.600 -0.042 0.000 0.920 565 E CA -0.811 55.524 56.400 -0.108 0.000 0.788 565 E CB 1.753 31.417 29.700 -0.061 0.000 1.279 565 E HN 0.441 nan 8.360 nan 0.000 0.438 566 Y N 1.275 121.570 120.300 -0.008 0.000 2.717 566 Y HA -0.003 4.791 4.550 0.408 0.000 0.330 566 Y C 0.404 176.261 175.900 -0.071 0.000 1.217 566 Y CA 0.424 58.510 58.100 -0.023 0.000 1.506 566 Y CB 0.521 39.021 38.460 0.066 0.000 1.268 566 Y HN 0.309 nan 8.280 nan 0.000 0.561 567 D N 4.541 124.976 120.400 0.057 0.000 2.470 567 D HA 0.136 5.020 4.640 0.406 0.000 0.233 567 D C -0.489 175.674 176.300 -0.228 0.000 1.372 567 D CA -0.323 53.627 54.000 -0.084 0.000 0.994 567 D CB 0.901 41.675 40.800 -0.045 0.000 1.377 567 D HN 0.535 nan 8.370 nan 0.000 0.586 568 L N 2.329 123.247 121.223 -0.508 0.000 2.611 568 L HA 0.227 4.811 4.340 0.406 0.000 0.229 568 L C 0.392 177.023 176.870 -0.398 0.000 1.137 568 L CA -0.096 54.348 54.840 -0.661 0.000 0.901 568 L CB -0.488 40.828 42.059 -1.238 0.000 1.098 568 L HN 0.113 nan 8.230 nan 0.000 0.456 569 N N 0.869 119.461 118.700 -0.181 0.000 2.513 569 N HA 0.001 4.984 4.740 0.406 0.000 0.268 569 N C 0.043 175.547 175.510 -0.010 0.000 1.180 569 N CA -0.117 52.972 53.050 0.064 0.000 0.948 569 N CB 0.316 38.852 38.487 0.083 0.000 1.083 569 N HN 0.050 nan 8.380 nan 0.000 0.455 570 D N 1.134 121.555 120.400 0.034 0.000 2.737 570 D HA -0.232 4.651 4.640 0.406 0.000 0.233 570 D C 1.147 177.223 176.300 -0.372 0.000 1.155 570 D CA 0.641 54.482 54.000 -0.265 0.000 0.667 570 D CB -0.700 39.941 40.800 -0.265 0.000 1.060 570 D HN 0.707 nan 8.370 nan 0.000 0.427 571 M N -1.732 117.787 119.600 -0.136 0.000 2.374 571 M HA -0.186 4.537 4.480 0.406 0.000 0.264 571 M C 2.129 178.359 176.300 -0.118 0.000 1.067 571 M CA 1.121 56.346 55.300 -0.125 0.000 1.103 571 M CB -0.690 31.855 32.600 -0.091 0.000 1.402 571 M HN 0.163 nan 8.290 nan 0.000 0.444 572 Y N 0.514 120.787 120.300 -0.044 0.000 2.569 572 Y HA 0.117 4.903 4.550 0.394 0.000 0.293 572 Y C 1.593 177.479 175.900 -0.022 0.000 1.144 572 Y CA 0.728 58.803 58.100 -0.043 0.000 1.321 572 Y CB -1.059 37.369 38.460 -0.054 0.000 0.982 572 Y HN 0.239 nan 8.280 nan 0.000 0.558 573 K N 0.634 120.717 120.400 -0.529 0.000 2.305 573 K HA 0.082 4.646 4.320 0.406 0.000 0.199 573 K C 1.628 178.144 176.600 -0.140 0.000 1.047 573 K CA 0.657 56.753 56.287 -0.318 0.000 0.976 573 K CB -0.006 32.259 32.500 -0.391 0.000 0.765 573 K HN 0.385 nan 8.250 nan 0.000 0.474 574 R N 1.186 121.613 120.500 -0.121 0.000 2.317 574 R HA 0.057 4.641 4.340 0.406 0.000 0.208 574 R C 0.562 176.852 176.300 -0.016 0.000 0.914 574 R CA 0.006 56.068 56.100 -0.063 0.000 1.060 574 R CB 0.195 30.453 30.300 -0.069 0.000 1.015 574 R HN 0.076 nan 8.270 nan 0.000 0.498 575 S N 0.559 116.269 115.700 0.016 0.000 2.559 575 S HA 0.105 4.818 4.470 0.406 0.000 0.282 575 S C 0.198 174.864 174.600 0.110 0.000 1.336 575 S CA -0.431 57.821 58.200 0.088 0.000 1.037 575 S CB 1.477 64.755 63.200 0.129 0.000 0.853 575 S HN 0.101 nan 8.310 nan 0.000 0.523 576 S N 1.970 117.761 115.700 0.151 0.000 2.533 576 S HA 0.672 5.385 4.470 0.406 0.000 0.271 576 S C -3.114 171.526 174.600 0.067 0.000 1.143 576 S CA -1.267 56.998 58.200 0.108 0.000 0.891 576 S CB 1.831 65.037 63.200 0.010 0.000 1.105 576 S HN 0.719 nan 8.310 nan 0.000 0.468 577 P HA 0.496 nan 4.420 nan 0.000 0.280 577 P C -0.879 176.196 177.300 -0.374 0.000 1.272 577 P CA -0.778 61.968 63.100 -0.590 0.000 0.819 577 P CB 0.895 32.132 31.700 -0.772 0.000 1.122 578 I N -0.590 119.717 120.570 -0.440 0.000 2.441 578 I HA 0.392 4.806 4.170 0.406 0.000 0.295 578 I C 0.116 176.038 176.117 -0.326 0.000 0.994 578 I CA -0.881 60.228 61.300 -0.319 0.000 1.144 578 I CB 1.345 39.150 38.000 -0.325 0.000 1.314 578 I HN 0.080 nan 8.210 nan 0.000 0.445 579 N N 6.052 124.628 118.700 -0.207 0.000 2.814 579 N HA 0.122 5.106 4.740 0.406 0.000 0.304 579 N C -1.286 174.154 175.510 -0.116 0.000 1.211 579 N CA 0.277 53.257 53.050 -0.116 0.000 1.158 579 N CB -0.250 38.236 38.487 -0.003 0.000 1.458 579 N HN 0.461 nan 8.380 nan 0.000 0.519 580 V N 1.751 121.559 119.914 -0.178 0.000 2.709 580 V HA 0.135 4.499 4.120 0.406 0.000 0.308 580 V C -0.333 175.753 176.094 -0.012 0.000 1.062 580 V CA -1.115 61.110 62.300 -0.125 0.000 0.901 580 V CB 2.220 33.857 31.823 -0.310 0.000 1.003 580 V HN 0.291 nan 8.190 nan 0.000 0.425 581 D N 5.494 125.931 120.400 0.061 0.000 2.525 581 D HA 0.149 5.032 4.640 0.406 0.000 0.235 581 D C -2.315 174.072 176.300 0.145 0.000 1.137 581 D CA -0.403 53.650 54.000 0.089 0.000 0.868 581 D CB 0.821 41.680 40.800 0.099 0.000 1.180 581 D HN 0.294 nan 8.370 nan 0.000 0.465 582 P HA 0.280 nan 4.420 nan 0.000 0.269 582 P C 0.070 177.345 177.300 -0.042 0.000 1.209 582 P CA -0.111 63.022 63.100 0.054 0.000 0.776 582 P CB 1.016 32.745 31.700 0.048 0.000 0.876 583 G N 0.511 109.110 108.800 -0.335 0.000 2.827 583 G HA2 0.397 4.600 3.960 0.406 0.000 0.202 583 G HA3 0.397 4.600 3.960 0.406 0.000 0.202 583 G C -1.647 172.942 174.900 -0.517 0.000 1.185 583 G CA -0.179 44.624 45.100 -0.495 0.000 0.920 583 G HN 0.422 nan 8.290 nan 0.000 0.550 584 D N -0.066 120.030 120.400 -0.507 0.000 2.375 584 D HA 0.438 5.322 4.640 0.406 0.000 0.259 584 D C -1.369 174.911 176.300 -0.034 0.000 1.235 584 D CA -0.409 53.524 54.000 -0.111 0.000 0.924 584 D CB 0.156 41.005 40.800 0.081 0.000 1.143 584 D HN 0.292 nan 8.370 nan 0.000 0.529 585 Y N 1.707 122.144 120.300 0.228 0.000 2.334 585 Y HA 0.431 5.222 4.550 0.402 0.000 0.328 585 Y C 1.627 177.717 175.900 0.317 0.000 1.130 585 Y CA -1.042 57.187 58.100 0.214 0.000 1.163 585 Y CB 1.514 40.025 38.460 0.085 0.000 1.207 585 Y HN 0.064 nan 8.280 nan 0.000 0.471 586 R N 2.104 122.915 120.500 0.518 0.000 2.476 586 R HA 0.308 4.891 4.340 0.406 0.000 0.276 586 R C -0.676 175.777 176.300 0.254 0.000 0.941 586 R CA 0.040 56.391 56.100 0.417 0.000 1.088 586 R CB 0.817 31.311 30.300 0.322 0.000 1.216 586 R HN 0.853 nan 8.270 nan 0.000 0.533 587 M N 0.174 119.899 119.600 0.208 0.000 2.484 587 M HA 0.375 5.099 4.480 0.406 0.000 0.292 587 M C -2.108 174.213 176.300 0.036 0.000 1.123 587 M CA -0.565 54.786 55.300 0.085 0.000 0.910 587 M CB 2.265 34.899 32.600 0.056 0.000 1.782 587 M HN 0.021 nan 8.290 nan 0.000 0.512 588 I N 4.917 125.468 120.570 -0.032 0.000 2.533 588 I HA 0.596 5.009 4.170 0.406 0.000 0.290 588 I C -1.856 174.209 176.117 -0.087 0.000 1.056 588 I CA -0.761 60.486 61.300 -0.088 0.000 1.057 588 I CB 1.669 39.587 38.000 -0.135 0.000 1.240 588 I HN 0.772 nan 8.210 nan 0.000 0.423 589 I N 9.585 130.094 120.570 -0.102 0.000 2.466 589 I HA 0.366 4.780 4.170 0.406 0.000 0.279 589 I C -2.393 173.617 176.117 -0.178 0.000 1.033 589 I CA -1.789 59.451 61.300 -0.099 0.000 1.123 589 I CB 1.830 39.812 38.000 -0.030 0.000 1.237 589 I HN 0.345 nan 8.210 nan 0.000 0.460 590 P HA 0.294 nan 4.420 nan 0.000 0.282 590 P C -0.822 176.372 177.300 -0.177 0.000 1.262 590 P CA 0.031 62.873 63.100 -0.430 0.000 0.773 590 P CB 1.423 32.578 31.700 -0.909 0.000 0.879 591 L N 1.790 122.946 121.223 -0.111 0.000 2.267 591 L HA 0.368 4.951 4.340 0.406 0.000 0.264 591 L C 2.242 179.106 176.870 -0.010 0.000 1.021 591 L CA -0.827 53.992 54.840 -0.035 0.000 0.861 591 L CB 0.684 42.733 42.059 -0.016 0.000 1.443 591 L HN 0.303 nan 8.230 nan 0.000 0.475 592 E N 0.464 120.670 120.200 0.010 0.000 2.013 592 E HA -0.232 4.361 4.350 0.406 0.000 0.202 592 E C 1.193 177.806 176.600 0.022 0.000 1.018 592 E CA 2.234 58.647 56.400 0.022 0.000 0.834 592 E CB 0.067 29.779 29.700 0.021 0.000 0.770 592 E HN 0.623 nan 8.360 nan 0.000 0.459 593 S N -0.812 114.895 115.700 0.012 0.000 2.663 593 S HA 0.241 4.954 4.470 0.406 0.000 0.243 593 S C -0.101 174.495 174.600 -0.007 0.000 1.009 593 S CA -0.088 58.115 58.200 0.006 0.000 0.988 593 S CB 0.595 63.793 63.200 -0.003 0.000 0.896 593 S HN 0.291 nan 8.310 nan 0.000 0.502 594 S N 0.526 116.227 115.700 0.002 0.000 2.656 594 S HA 0.787 5.501 4.470 0.406 0.000 0.273 594 S C -1.390 173.221 174.600 0.018 0.000 1.168 594 S CA -1.018 57.187 58.200 0.008 0.000 0.817 594 S CB 0.856 64.049 63.200 -0.012 0.000 1.146 594 S HN 0.302 nan 8.310 nan 0.000 0.475 595 I N 1.490 122.096 120.570 0.061 0.000 2.534 595 I HA 0.367 4.781 4.170 0.406 0.000 0.288 595 I C -1.058 175.059 176.117 0.001 0.000 1.077 595 I CA -0.859 60.434 61.300 -0.012 0.000 1.051 595 I CB 1.816 39.799 38.000 -0.029 0.000 1.234 595 I HN 0.471 nan 8.210 nan 0.000 0.425 596 L N 6.602 127.806 121.223 -0.031 0.000 2.334 596 L HA 0.600 5.183 4.340 0.406 0.000 0.277 596 L C -0.232 176.618 176.870 -0.033 0.000 1.075 596 L CA -0.379 54.461 54.840 -0.000 0.000 0.804 596 L CB 1.535 43.615 42.059 0.035 0.000 1.174 596 L HN 0.505 nan 8.230 nan 0.000 0.438 597 I N 2.602 123.155 120.570 -0.029 0.000 2.619 597 I HA 0.251 4.664 4.170 0.406 0.000 0.292 597 I C -1.214 174.939 176.117 0.060 0.000 1.100 597 I CA -0.776 60.482 61.300 -0.070 0.000 1.043 597 I CB 2.600 40.408 38.000 -0.320 0.000 1.239 597 I HN 0.387 nan 8.210 nan 0.000 0.420 598 Y N 4.844 125.165 120.300 0.035 0.000 2.326 598 Y HA 0.510 5.301 4.550 0.402 0.000 0.337 598 Y C 0.083 176.126 175.900 0.238 0.000 1.023 598 Y CA 0.099 58.273 58.100 0.124 0.000 1.143 598 Y CB 1.460 39.998 38.460 0.130 0.000 1.183 598 Y HN 0.550 nan 8.280 nan 0.000 0.485 599 S N 5.052 120.768 115.700 0.027 0.000 2.521 599 S HA 0.713 5.426 4.470 0.406 0.000 0.295 599 S C -1.856 172.776 174.600 0.053 0.000 1.098 599 S CA -0.633 57.701 58.200 0.223 0.000 0.999 599 S CB 1.078 64.441 63.200 0.271 0.000 1.034 599 S HN 0.466 nan 8.310 nan 0.000 0.483 600 V N 6.434 126.448 119.914 0.167 0.000 2.326 600 V HA 0.429 4.792 4.120 0.406 0.000 0.281 600 V C -2.267 173.922 176.094 0.157 0.000 1.015 600 V CA -1.801 60.601 62.300 0.171 0.000 0.823 600 V CB 1.045 33.035 31.823 0.279 0.000 1.009 600 V HN 0.763 nan 8.190 nan 0.000 0.436 601 P HA 0.067 nan 4.420 nan 0.000 0.268 601 P C -0.174 177.229 177.300 0.171 0.000 1.208 601 P CA -0.024 63.148 63.100 0.120 0.000 0.777 601 P CB 0.477 32.234 31.700 0.095 0.000 0.875 602 V N 4.613 124.576 119.914 0.083 0.000 2.585 602 V HA 0.124 4.487 4.120 0.406 0.000 0.296 602 V C 0.696 176.820 176.094 0.050 0.000 1.035 602 V CA 0.644 62.947 62.300 0.005 0.000 1.084 602 V CB -0.640 31.173 31.823 -0.016 0.000 0.953 602 V HN 0.738 nan 8.190 nan 0.000 0.483 603 H N 2.373 121.470 119.070 0.044 0.000 3.008 603 H HA 0.614 5.413 4.556 0.404 0.000 0.354 603 H C -0.017 175.343 175.328 0.055 0.000 1.252 603 H CA -0.570 55.506 56.048 0.048 0.000 1.117 603 H CB 1.787 31.583 29.762 0.057 0.000 1.857 603 H HN 0.675 nan 8.280 nan 0.000 0.547 604 G N -0.162 108.742 108.800 0.173 0.000 2.634 604 G HA2 0.146 4.349 3.960 0.406 0.000 0.255 604 G HA3 0.146 4.349 3.960 0.406 0.000 0.255 604 G C 0.309 175.370 174.900 0.268 0.000 1.205 604 G CA -0.354 44.834 45.100 0.147 0.000 0.884 604 G HN 0.684 nan 8.290 nan 0.000 0.549 605 E N 0.192 120.519 120.200 0.210 0.000 2.498 605 E HA 0.053 4.647 4.350 0.406 0.000 0.203 605 E C 1.534 178.284 176.600 0.250 0.000 1.013 605 E CA -0.377 56.158 56.400 0.226 0.000 0.927 605 E CB 0.240 30.021 29.700 0.134 0.000 1.012 605 E HN 0.499 nan 8.360 nan 0.000 0.482 606 F N 2.340 122.372 119.950 0.136 0.000 2.095 606 F HA -0.226 4.544 4.527 0.405 0.000 0.298 606 F C 2.226 178.173 175.800 0.245 0.000 1.104 606 F CA 1.828 59.953 58.000 0.209 0.000 1.232 606 F CB -0.087 39.011 39.000 0.164 0.000 0.987 606 F HN 0.032 nan 8.300 nan 0.000 0.475 607 A N 0.040 123.132 122.820 0.454 0.000 1.902 607 A HA -0.063 4.500 4.320 0.406 0.000 0.217 607 A C 2.316 179.994 177.584 0.157 0.000 1.181 607 A CA 1.714 53.932 52.037 0.302 0.000 0.623 607 A CB -1.501 17.628 19.000 0.214 0.000 0.818 607 A HN 0.473 nan 8.150 nan 0.000 0.443 608 A N -2.422 120.482 122.820 0.139 0.000 2.066 608 A HA 0.017 4.581 4.320 0.406 0.000 0.218 608 A C 2.028 179.620 177.584 0.013 0.000 1.157 608 A CA 1.374 53.457 52.037 0.077 0.000 0.670 608 A CB -0.551 18.513 19.000 0.106 0.000 0.804 608 A HN 0.660 nan 8.150 nan 0.000 0.453 609 Y N -1.952 118.229 120.300 -0.198 0.000 2.397 609 Y HA 0.010 4.803 4.550 0.405 0.000 0.292 609 Y C 1.348 176.851 175.900 -0.662 0.000 1.115 609 Y CA 1.435 59.257 58.100 -0.464 0.000 1.208 609 Y CB 0.250 38.315 38.460 -0.658 0.000 1.046 609 Y HN 0.377 nan 8.280 nan 0.000 0.552 610 Y N -1.456 118.778 120.300 -0.110 0.000 2.500 610 Y HA 0.218 5.012 4.550 0.407 0.000 0.246 610 Y C 0.876 176.716 175.900 -0.099 0.000 1.146 610 Y CA -0.104 57.888 58.100 -0.181 0.000 1.230 610 Y CB 0.642 38.878 38.460 -0.374 0.000 1.214 610 Y HN 0.020 nan 8.280 nan 0.000 0.526 611 Q N -0.656 119.183 119.800 0.064 0.000 2.093 611 Q HA 0.268 4.852 4.340 0.406 0.000 0.217 611 Q C 1.262 177.278 176.000 0.026 0.000 0.785 611 Q CA 0.296 56.135 55.803 0.061 0.000 1.038 611 Q CB 1.599 30.400 28.738 0.105 0.000 1.190 611 Q HN 0.407 nan 8.270 nan 0.000 0.468 612 G N 1.608 110.404 108.800 -0.007 0.000 2.212 612 G HA2 -0.370 3.833 3.960 0.406 0.000 0.267 612 G HA3 -0.370 3.833 3.960 0.406 0.000 0.267 612 G C 0.412 175.319 174.900 0.012 0.000 1.002 612 G CA 0.283 45.377 45.100 -0.011 0.000 0.729 612 G HN 0.583 nan 8.290 nan 0.000 0.517 613 A N 1.093 123.931 122.820 0.031 0.000 2.548 613 A HA 0.534 5.098 4.320 0.406 0.000 0.247 613 A C -0.452 177.142 177.584 0.018 0.000 1.067 613 A CA -0.001 52.055 52.037 0.032 0.000 0.757 613 A CB 0.271 19.302 19.000 0.051 0.000 0.996 613 A HN 0.420 nan 8.150 nan 0.000 0.504 614 P HA 0.127 nan 4.420 nan 0.000 0.274 614 P C -0.419 176.867 177.300 -0.023 0.000 1.237 614 P CA -0.341 62.767 63.100 0.015 0.000 0.793 614 P CB 0.704 32.422 31.700 0.030 0.000 0.977 615 E N 1.402 121.595 120.200 -0.012 0.000 2.223 615 E HA 0.089 4.682 4.350 0.406 0.000 0.282 615 E C -0.283 176.309 176.600 -0.014 0.000 1.046 615 E CA -0.373 55.979 56.400 -0.081 0.000 0.857 615 E CB 0.376 30.098 29.700 0.036 0.000 1.055 615 E HN 0.227 nan 8.360 nan 0.000 0.409 616 K N 2.571 122.921 120.400 -0.084 0.000 2.258 616 K HA 0.336 4.900 4.320 0.406 0.000 0.284 616 K C 0.069 176.687 176.600 0.029 0.000 1.051 616 K CA -0.418 55.865 56.287 -0.005 0.000 0.923 616 K CB 1.617 34.098 32.500 -0.032 0.000 1.046 616 K HN 0.511 nan 8.250 nan 0.000 0.474 617 G N 0.840 109.663 108.800 0.038 0.000 2.932 617 G HA2 0.647 4.851 3.960 0.406 0.000 0.283 617 G HA3 0.647 4.851 3.960 0.406 0.000 0.283 617 G C -1.438 173.298 174.900 -0.274 0.000 1.336 617 G CA -0.539 44.470 45.100 -0.152 0.000 1.056 617 G HN 0.410 nan 8.290 nan 0.000 0.522 618 V N -0.550 119.084 119.914 -0.467 0.000 2.932 618 V HA 0.662 5.026 4.120 0.406 0.000 0.307 618 V C -1.666 174.222 176.094 -0.343 0.000 1.147 618 V CA -0.892 61.237 62.300 -0.285 0.000 0.951 618 V CB 1.981 33.724 31.823 -0.132 0.000 1.031 618 V HN 0.835 nan 8.190 nan 0.000 0.426 619 L N 6.857 127.983 121.223 -0.161 0.000 2.264 619 L HA 0.662 5.245 4.340 0.406 0.000 0.289 619 L C -0.882 175.980 176.870 -0.013 0.000 1.044 619 L CA 0.269 55.085 54.840 -0.039 0.000 0.807 619 L CB 0.815 42.935 42.059 0.102 0.000 1.192 619 L HN 0.676 nan 8.230 nan 0.000 0.425 620 L N 4.672 125.894 121.223 -0.001 0.000 2.334 620 L HA 0.602 5.186 4.340 0.406 0.000 0.272 620 L C -0.308 176.574 176.870 0.020 0.000 1.020 620 L CA -0.834 54.009 54.840 0.005 0.000 0.812 620 L CB 1.699 43.758 42.059 -0.000 0.000 1.264 620 L HN 0.584 nan 8.230 nan 0.000 0.439 621 K N 1.520 121.936 120.400 0.026 0.000 2.345 621 K HA 0.337 4.901 4.320 0.406 0.000 0.255 621 K C -1.842 174.792 176.600 0.056 0.000 0.934 621 K CA -0.572 55.736 56.287 0.035 0.000 0.801 621 K CB 1.623 34.133 32.500 0.017 0.000 1.137 621 K HN 0.501 nan 8.250 nan 0.000 0.424 622 Y N 3.090 123.353 120.300 -0.061 0.000 2.356 622 Y HA 0.248 5.049 4.550 0.418 0.000 0.334 622 Y C -0.985 174.886 175.900 -0.048 0.000 0.958 622 Y CA -0.743 57.319 58.100 -0.062 0.000 1.196 622 Y CB 1.225 39.630 38.460 -0.092 0.000 1.137 622 Y HN 0.722 nan 8.280 nan 0.000 0.485 623 D N 4.999 125.072 120.400 -0.545 0.000 2.339 623 D HA 0.111 4.994 4.640 0.406 0.000 0.256 623 D C 1.182 177.096 176.300 -0.643 0.000 1.214 623 D CA 0.009 53.757 54.000 -0.420 0.000 0.877 623 D CB 1.278 41.912 40.800 -0.276 0.000 1.111 623 D HN 0.542 nan 8.370 nan 0.000 0.478 624 V N 2.619 122.351 119.914 -0.303 0.000 2.490 624 V HA -0.127 4.236 4.120 0.406 0.000 0.250 624 V C 2.044 178.067 176.094 -0.118 0.000 1.061 624 V CA 1.005 63.227 62.300 -0.130 0.000 1.064 624 V CB -0.453 31.404 31.823 0.057 0.000 0.670 624 V HN 0.409 nan 8.190 nan 0.000 0.461 625 K N 1.329 121.658 120.400 -0.120 0.000 2.031 625 K HA -0.054 4.509 4.320 0.406 0.000 0.205 625 K C 2.386 178.927 176.600 -0.098 0.000 1.049 625 K CA 2.154 58.394 56.287 -0.079 0.000 0.939 625 K CB -0.652 31.813 32.500 -0.058 0.000 0.717 625 K HN 0.771 nan 8.250 nan 0.000 0.438 626 T N -2.279 112.189 114.554 -0.144 0.000 3.065 626 T HA 0.127 4.720 4.350 0.406 0.000 0.252 626 T C 0.618 175.222 174.700 -0.160 0.000 1.099 626 T CA -0.100 61.926 62.100 -0.125 0.000 1.063 626 T CB 0.088 68.890 68.868 -0.111 0.000 0.948 626 T HN 0.254 nan 8.240 nan 0.000 0.506 627 R N 0.307 120.626 120.500 -0.301 0.000 3.863 627 R HA -0.129 4.454 4.340 0.406 0.000 0.313 627 R C -0.079 176.071 176.300 -0.249 0.000 1.202 627 R CA 0.884 56.769 56.100 -0.360 0.000 0.852 627 R CB -1.689 28.589 30.300 -0.037 0.000 1.292 627 R HN 0.561 nan 8.270 nan 0.000 0.519 628 K N 1.291 121.535 120.400 -0.261 0.000 2.156 628 K HA 0.415 4.978 4.320 0.406 0.000 0.271 628 K C -0.233 176.296 176.600 -0.119 0.000 0.995 628 K CA -0.431 55.780 56.287 -0.128 0.000 0.890 628 K CB 1.394 33.839 32.500 -0.093 0.000 1.073 628 K HN -0.087 nan 8.250 nan 0.000 0.454 629 V N 2.957 122.863 119.914 -0.014 0.000 2.630 629 V HA 0.446 4.810 4.120 0.406 0.000 0.305 629 V C -0.192 175.908 176.094 0.009 0.000 1.046 629 V CA -0.458 61.859 62.300 0.030 0.000 0.934 629 V CB 1.722 33.602 31.823 0.094 0.000 1.003 629 V HN 1.082 nan 8.190 nan 0.000 0.451 630 T N 0.245 114.803 114.554 0.007 0.000 2.868 630 T HA 0.500 5.094 4.350 0.406 0.000 0.306 630 T C -0.898 173.801 174.700 -0.002 0.000 1.224 630 T CA -0.782 61.316 62.100 -0.003 0.000 1.012 630 T CB 1.919 70.777 68.868 -0.016 0.000 1.221 630 T HN 0.638 nan 8.240 nan 0.000 0.499 631 E N 0.727 120.921 120.200 -0.011 0.000 2.194 631 E HA 0.425 5.018 4.350 0.406 0.000 0.284 631 E C 0.107 176.687 176.600 -0.034 0.000 1.035 631 E CA -0.558 55.828 56.400 -0.022 0.000 0.836 631 E CB 1.068 30.751 29.700 -0.029 0.000 1.070 631 E HN 0.501 nan 8.360 nan 0.000 0.401 632 V N 4.098 123.993 119.914 -0.033 0.000 3.125 632 V HA 0.110 4.474 4.120 0.406 0.000 0.249 632 V C 0.184 176.211 176.094 -0.113 0.000 1.113 632 V CA 0.619 62.891 62.300 -0.046 0.000 1.106 632 V CB 0.158 31.988 31.823 0.012 0.000 0.768 632 V HN 0.553 nan 8.190 nan 0.000 0.468 633 K N 1.129 121.469 120.400 -0.100 0.000 2.579 633 K HA 0.336 4.900 4.320 0.406 0.000 0.257 633 K C -1.116 175.420 176.600 -0.108 0.000 0.950 633 K CA -0.313 55.883 56.287 -0.150 0.000 0.862 633 K CB 1.219 33.600 32.500 -0.198 0.000 1.317 633 K HN 0.289 nan 8.250 nan 0.000 0.436 634 N N 1.411 120.042 118.700 -0.115 0.000 2.813 634 N HA 0.467 5.451 4.740 0.406 0.000 0.320 634 N C -0.819 174.641 175.510 -0.083 0.000 1.315 634 N CA -0.515 52.481 53.050 -0.091 0.000 0.871 634 N CB 0.204 38.646 38.487 -0.074 0.000 1.241 634 N HN 0.616 nan 8.380 nan 0.000 0.602 635 N N -2.221 116.444 118.700 -0.058 0.000 2.725 635 N HA -0.162 4.821 4.740 0.406 0.000 0.249 635 N C -1.254 174.250 175.510 -0.010 0.000 1.103 635 N CA 0.458 53.486 53.050 -0.038 0.000 0.707 635 N CB -1.393 37.061 38.487 -0.055 0.000 1.043 635 N HN 0.416 nan 8.380 nan 0.000 0.553 636 L N -0.425 120.810 121.223 0.020 0.000 2.379 636 L HA 0.435 5.019 4.340 0.406 0.000 0.269 636 L C 1.726 178.709 176.870 0.189 0.000 1.084 636 L CA 0.137 55.048 54.840 0.118 0.000 0.802 636 L CB 1.227 43.399 42.059 0.188 0.000 1.175 636 L HN 0.339 nan 8.230 nan 0.000 0.448 637 T N -4.158 110.528 114.554 0.220 0.000 2.986 637 T HA 0.234 4.828 4.350 0.406 0.000 0.264 637 T C -0.119 174.722 174.700 0.234 0.000 0.964 637 T CA -0.198 62.028 62.100 0.210 0.000 0.895 637 T CB 0.451 69.392 68.868 0.122 0.000 1.163 637 T HN 0.522 nan 8.240 nan 0.000 0.517 638 D N -0.306 120.254 120.400 0.267 0.000 2.706 638 D HA 0.532 5.416 4.640 0.406 0.000 0.227 638 D C -2.087 174.396 176.300 0.305 0.000 1.233 638 D CA -0.503 53.644 54.000 0.244 0.000 0.768 638 D CB 2.078 43.105 40.800 0.377 0.000 1.490 638 D HN 0.309 nan 8.370 nan 0.000 0.458 639 L N 1.869 123.203 121.223 0.184 0.000 2.455 639 L HA 0.733 5.316 4.340 0.406 0.000 0.264 639 L C -1.435 175.497 176.870 0.104 0.000 0.968 639 L CA -0.559 54.408 54.840 0.212 0.000 0.827 639 L CB 1.545 43.730 42.059 0.210 0.000 1.317 639 L HN 0.297 nan 8.230 nan 0.000 0.407 640 R N 4.311 124.884 120.500 0.121 0.000 2.795 640 R HA 0.659 5.243 4.340 0.406 0.000 0.275 640 R C -1.663 174.646 176.300 0.015 0.000 0.981 640 R CA -0.722 55.382 56.100 0.006 0.000 0.917 640 R CB 2.396 32.651 30.300 -0.076 0.000 1.202 640 R HN 0.643 nan 8.270 nan 0.000 0.469 641 L N 0.544 121.763 121.223 -0.005 0.000 2.381 641 L HA 0.362 4.946 4.340 0.406 0.000 0.268 641 L C 0.428 177.300 176.870 0.002 0.000 0.997 641 L CA -0.537 54.299 54.840 -0.008 0.000 0.818 641 L CB 2.331 44.390 42.059 0.000 0.000 1.310 641 L HN 0.691 nan 8.230 nan 0.000 0.416 642 S N 1.940 117.639 115.700 -0.001 0.000 2.572 642 S HA 0.105 4.819 4.470 0.406 0.000 0.262 642 S C 1.225 175.840 174.600 0.025 0.000 1.375 642 S CA 0.593 58.802 58.200 0.015 0.000 0.996 642 S CB 1.360 64.565 63.200 0.009 0.000 0.892 642 S HN 0.759 nan 8.310 nan 0.000 0.562 643 A N 1.875 124.716 122.820 0.034 0.000 1.897 643 A HA -0.036 4.528 4.320 0.406 0.000 0.215 643 A C 1.474 179.080 177.584 0.036 0.000 1.181 643 A CA 1.588 53.648 52.037 0.038 0.000 0.620 643 A CB -0.716 18.307 19.000 0.038 0.000 0.821 643 A HN 0.941 nan 8.150 nan 0.000 0.443 644 D N -1.569 118.851 120.400 0.032 0.000 2.319 644 D HA 0.021 4.905 4.640 0.406 0.000 0.230 644 D C 0.630 176.946 176.300 0.028 0.000 1.094 644 D CA -0.094 53.924 54.000 0.031 0.000 0.856 644 D CB -0.599 40.218 40.800 0.028 0.000 0.915 644 D HN 0.436 nan 8.370 nan 0.000 0.517 645 R N -0.561 119.954 120.500 0.025 0.000 3.932 645 R HA -0.239 4.344 4.340 0.406 0.000 0.318 645 R C 0.724 177.030 176.300 0.010 0.000 1.219 645 R CA 1.308 57.419 56.100 0.018 0.000 0.889 645 R CB -1.657 28.657 30.300 0.025 0.000 1.309 645 R HN 0.356 nan 8.270 nan 0.000 0.537 646 K N -0.472 119.934 120.400 0.009 0.000 2.276 646 K HA 0.078 4.642 4.320 0.406 0.000 0.198 646 K C 0.557 177.149 176.600 -0.013 0.000 1.052 646 K CA 0.815 57.107 56.287 0.008 0.000 0.984 646 K CB 0.553 33.064 32.500 0.018 0.000 0.836 646 K HN 0.011 nan 8.250 nan 0.000 0.490 647 T N 1.566 116.102 114.554 -0.030 0.000 2.824 647 T HA 0.383 4.976 4.350 0.406 0.000 0.280 647 T C -0.648 173.961 174.700 -0.152 0.000 0.995 647 T CA -0.592 61.463 62.100 -0.075 0.000 1.009 647 T CB 2.175 71.024 68.868 -0.031 0.000 0.955 647 T HN -0.256 nan 8.240 nan 0.000 0.452 648 V N 4.137 123.841 119.914 -0.350 0.000 2.495 648 V HA 0.575 4.939 4.120 0.406 0.000 0.298 648 V C -0.226 175.618 176.094 -0.417 0.000 1.031 648 V CA -0.898 61.112 62.300 -0.482 0.000 0.871 648 V CB 1.695 32.949 31.823 -0.949 0.000 0.988 648 V HN 0.885 nan 8.190 nan 0.000 0.432 649 M N 6.387 125.924 119.600 -0.105 0.000 2.311 649 M HA 0.827 5.551 4.480 0.406 0.000 0.325 649 M C -1.118 175.334 176.300 0.253 0.000 1.061 649 M CA -0.470 54.893 55.300 0.106 0.000 0.957 649 M CB 1.761 34.502 32.600 0.235 0.000 1.646 649 M HN 0.683 nan 8.290 nan 0.000 0.434 650 V N 1.795 121.882 119.914 0.288 0.000 3.181 650 V HA 0.816 5.179 4.120 0.406 0.000 0.308 650 V C -1.609 174.561 176.094 0.127 0.000 1.214 650 V CA -1.013 61.471 62.300 0.307 0.000 1.053 650 V CB 2.152 34.193 31.823 0.363 0.000 1.069 650 V HN 1.043 nan 8.190 nan 0.000 0.441 651 R N 1.108 121.660 120.500 0.087 0.000 2.621 651 R HA 0.703 5.287 4.340 0.406 0.000 0.292 651 R C -0.653 175.709 176.300 0.104 0.000 0.969 651 R CA -0.493 55.595 56.100 -0.019 0.000 0.887 651 R CB 2.069 32.262 30.300 -0.180 0.000 1.180 651 R HN 0.930 nan 8.270 nan 0.000 0.450 652 K N 1.404 121.880 120.400 0.127 0.000 2.288 652 K HA 0.170 4.733 4.320 0.406 0.000 0.234 652 K C 0.060 176.698 176.600 0.063 0.000 1.037 652 K CA -0.667 55.664 56.287 0.073 0.000 0.914 652 K CB 0.924 33.422 32.500 -0.004 0.000 1.197 652 K HN 0.789 nan 8.250 nan 0.000 0.471 653 D N 0.430 120.852 120.400 0.037 0.000 2.351 653 D HA -0.169 4.714 4.640 0.406 0.000 0.216 653 D C 0.582 176.899 176.300 0.028 0.000 0.968 653 D CA 1.003 55.020 54.000 0.028 0.000 0.899 653 D CB -0.233 40.575 40.800 0.013 0.000 0.907 653 D HN 0.554 nan 8.370 nan 0.000 0.514 654 D N -1.182 119.245 120.400 0.045 0.000 2.340 654 D HA 0.166 5.050 4.640 0.406 0.000 0.220 654 D C 1.757 178.072 176.300 0.024 0.000 1.039 654 D CA 0.543 54.568 54.000 0.040 0.000 0.866 654 D CB -0.132 40.708 40.800 0.067 0.000 0.913 654 D HN 0.293 nan 8.370 nan 0.000 0.523 655 G N -0.029 108.784 108.800 0.021 0.000 2.234 655 G HA2 -0.326 3.877 3.960 0.406 0.000 0.260 655 G HA3 -0.326 3.877 3.960 0.406 0.000 0.260 655 G C 0.300 175.165 174.900 -0.057 0.000 0.987 655 G CA 0.270 45.358 45.100 -0.020 0.000 0.625 655 G HN 0.465 nan 8.290 nan 0.000 0.532 656 K N 0.207 120.596 120.400 -0.018 0.000 2.154 656 K HA 0.613 5.176 4.320 0.406 0.000 0.264 656 K C 0.315 176.834 176.600 -0.135 0.000 1.008 656 K CA -0.398 55.811 56.287 -0.129 0.000 0.937 656 K CB 1.205 33.587 32.500 -0.197 0.000 1.002 656 K HN 0.254 nan 8.250 nan 0.000 0.469 657 I N 2.769 123.138 120.570 -0.335 0.000 2.359 657 I HA 0.247 4.660 4.170 0.406 0.000 0.294 657 I C -0.755 175.173 176.117 -0.314 0.000 0.987 657 I CA -0.652 60.478 61.300 -0.283 0.000 1.225 657 I CB 0.566 38.340 38.000 -0.377 0.000 1.366 657 I HN 0.437 nan 8.210 nan 0.000 0.466 658 Y N 2.777 123.058 120.300 -0.032 0.000 2.602 658 Y HA 0.585 5.378 4.550 0.405 0.000 0.342 658 Y C 0.200 176.176 175.900 0.126 0.000 1.029 658 Y CA -0.940 57.201 58.100 0.068 0.000 1.080 658 Y CB 2.163 40.699 38.460 0.125 0.000 1.284 658 Y HN 0.336 nan 8.280 nan 0.000 0.485 659 T N 2.590 117.352 114.554 0.346 0.000 2.971 659 T HA 0.720 5.314 4.350 0.406 0.000 0.304 659 T C -1.834 173.039 174.700 0.288 0.000 1.038 659 T CA -0.560 61.662 62.100 0.204 0.000 1.007 659 T CB 0.186 69.119 68.868 0.109 0.000 1.055 659 T HN 0.486 nan 8.240 nan 0.000 0.451 660 F N 2.385 122.399 119.950 0.107 0.000 2.631 660 F HA 0.850 5.620 4.527 0.405 0.000 0.308 660 F C -3.284 172.558 175.800 0.069 0.000 1.097 660 F CA -2.911 55.137 58.000 0.080 0.000 0.952 660 F CB 0.451 39.491 39.000 0.066 0.000 1.307 660 F HN 0.249 nan 8.300 nan 0.000 0.450 661 P HA 0.205 nan 4.420 nan 0.000 0.279 661 P C 0.573 177.970 177.300 0.161 0.000 1.239 661 P CA -0.349 62.810 63.100 0.098 0.000 0.789 661 P CB 1.297 33.060 31.700 0.105 0.000 0.933 662 L N 3.696 124.962 121.223 0.071 0.000 2.265 662 L HA -0.189 4.395 4.340 0.406 0.000 0.215 662 L C 1.900 178.844 176.870 0.123 0.000 1.117 662 L CA 1.787 56.693 54.840 0.110 0.000 0.782 662 L CB -0.879 41.208 42.059 0.047 0.000 0.914 662 L HN 0.434 nan 8.230 nan 0.000 0.441 663 E N -1.190 119.067 120.200 0.096 0.000 2.076 663 E HA -0.106 4.487 4.350 0.406 0.000 0.190 663 E C 0.156 176.805 176.600 0.082 0.000 0.979 663 E CA 0.711 57.156 56.400 0.075 0.000 0.807 663 E CB -0.109 29.625 29.700 0.056 0.000 0.761 663 E HN 0.180 nan 8.360 nan 0.000 0.454 664 K N 1.327 121.792 120.400 0.109 0.000 2.842 664 K HA 0.201 4.764 4.320 0.406 0.000 0.176 664 K C -2.198 174.480 176.600 0.130 0.000 1.080 664 K CA -2.018 54.324 56.287 0.093 0.000 0.954 664 K CB 1.578 34.121 32.500 0.071 0.000 1.203 664 K HN 0.039 nan 8.250 nan 0.000 0.611 665 P HA -0.179 nan 4.420 nan 0.000 0.229 665 P C 0.835 178.046 177.300 -0.148 0.000 1.150 665 P CA 0.990 64.110 63.100 0.034 0.000 0.765 665 P CB 0.485 32.128 31.700 -0.094 0.000 0.783 666 E N 0.216 120.386 120.200 -0.049 0.000 2.371 666 E HA -0.065 4.529 4.350 0.406 0.000 0.194 666 E C 0.064 176.658 176.600 -0.011 0.000 1.012 666 E CA 0.231 56.596 56.400 -0.059 0.000 0.860 666 E CB -0.035 29.646 29.700 -0.032 0.000 0.811 666 E HN 0.126 nan 8.360 nan 0.000 0.502 667 D N 2.513 122.942 120.400 0.048 0.000 2.767 667 D HA 0.031 4.914 4.640 0.406 0.000 0.241 667 D C -0.573 175.815 176.300 0.146 0.000 1.187 667 D CA 0.050 54.099 54.000 0.082 0.000 0.999 667 D CB 0.090 40.940 40.800 0.084 0.000 1.042 667 D HN 0.390 nan 8.370 nan 0.000 0.510 668 E N -0.115 120.169 120.200 0.140 0.000 2.283 668 E HA 0.637 5.231 4.350 0.406 0.000 0.271 668 E C -0.245 176.483 176.600 0.213 0.000 1.031 668 E CA -0.811 55.738 56.400 0.249 0.000 0.868 668 E CB 1.694 31.536 29.700 0.236 0.000 1.094 668 E HN -0.061 nan 8.360 nan 0.000 0.401 669 R N 0.423 121.060 120.500 0.227 0.000 2.854 669 R HA 0.409 4.993 4.340 0.406 0.000 0.271 669 R C -0.893 175.473 176.300 0.110 0.000 0.996 669 R CA -0.718 55.469 56.100 0.144 0.000 0.961 669 R CB 2.258 32.613 30.300 0.092 0.000 1.182 669 R HN 0.501 nan 8.270 nan 0.000 0.479 670 T N 1.268 115.803 114.554 -0.032 0.000 2.806 670 T HA 0.243 4.836 4.350 0.406 0.000 0.290 670 T C -0.208 174.374 174.700 -0.197 0.000 0.966 670 T CA -0.596 61.333 62.100 -0.284 0.000 1.060 670 T CB 1.019 69.686 68.868 -0.335 0.000 0.927 670 T HN 0.139 nan 8.240 nan 0.000 0.485 671 V N 4.675 124.448 119.914 -0.235 0.000 2.427 671 V HA 0.174 4.537 4.120 0.406 0.000 0.268 671 V C 0.482 176.453 176.094 -0.204 0.000 1.046 671 V CA -0.468 61.736 62.300 -0.160 0.000 0.970 671 V CB 0.385 32.127 31.823 -0.135 0.000 1.001 671 V HN 0.742 nan 8.190 nan 0.000 0.476 672 E N 3.445 123.554 120.200 -0.152 0.000 2.200 672 E HA 0.348 4.941 4.350 0.406 0.000 0.283 672 E C 0.834 177.330 176.600 -0.172 0.000 1.015 672 E CA 0.017 56.322 56.400 -0.158 0.000 0.819 672 E CB 1.853 31.487 29.700 -0.110 0.000 1.081 672 E HN 0.861 nan 8.360 nan 0.000 0.397 673 T N -1.838 112.579 114.554 -0.229 0.000 2.986 673 T HA 0.085 4.678 4.350 0.406 0.000 0.264 673 T C 0.300 174.888 174.700 -0.187 0.000 0.964 673 T CA -0.294 61.637 62.100 -0.281 0.000 0.895 673 T CB 0.176 68.682 68.868 -0.604 0.000 1.163 673 T HN 0.046 nan 8.240 nan 0.000 0.517 674 D N 1.559 121.868 120.400 -0.153 0.000 2.336 674 D HA 0.257 5.140 4.640 0.406 0.000 0.228 674 D C 1.464 177.714 176.300 -0.084 0.000 1.120 674 D CA 0.029 53.964 54.000 -0.108 0.000 0.839 674 D CB 0.327 41.068 40.800 -0.099 0.000 0.932 674 D HN 0.442 nan 8.370 nan 0.000 0.509 675 K N 0.108 120.456 120.400 -0.086 0.000 2.155 675 K HA 0.033 4.596 4.320 0.406 0.000 0.203 675 K C 1.054 177.616 176.600 -0.063 0.000 1.052 675 K CA 0.517 56.761 56.287 -0.072 0.000 0.948 675 K CB 0.555 33.009 32.500 -0.076 0.000 0.728 675 K HN -0.045 nan 8.250 nan 0.000 0.448 676 R N 1.334 121.793 120.500 -0.069 0.000 2.445 676 R HA 0.243 4.826 4.340 0.406 0.000 0.308 676 R C -2.689 173.573 176.300 -0.064 0.000 0.961 676 R CA -2.166 53.898 56.100 -0.060 0.000 0.862 676 R CB 1.477 31.739 30.300 -0.063 0.000 1.144 676 R HN -0.154 nan 8.270 nan 0.000 0.447 677 P HA 0.034 nan 4.420 nan 0.000 0.272 677 P C -1.059 176.230 177.300 -0.018 0.000 1.223 677 P CA -0.515 62.574 63.100 -0.019 0.000 0.784 677 P CB 0.546 32.243 31.700 -0.005 0.000 0.923 678 L N 2.988 124.215 121.223 0.007 0.000 2.305 678 L HA 0.289 4.872 4.340 0.406 0.000 0.281 678 L C -0.648 176.244 176.870 0.037 0.000 1.085 678 L CA -0.106 54.756 54.840 0.037 0.000 0.813 678 L CB 1.054 43.158 42.059 0.074 0.000 1.157 678 L HN 0.073 nan 8.230 nan 0.000 0.436 679 V N 4.106 124.052 119.914 0.055 0.000 2.448 679 V HA 0.807 5.171 4.120 0.406 0.000 0.295 679 V C -0.174 175.917 176.094 -0.005 0.000 1.025 679 V CA -0.283 62.028 62.300 0.018 0.000 0.859 679 V CB 1.521 33.356 31.823 0.021 0.000 0.988 679 V HN 0.943 nan 8.190 nan 0.000 0.431 680 S N 2.569 118.245 115.700 -0.040 0.000 2.671 680 S HA 0.709 5.423 4.470 0.406 0.000 0.277 680 S C -0.683 173.864 174.600 -0.087 0.000 1.165 680 S CA -0.669 57.489 58.200 -0.071 0.000 0.822 680 S CB 1.991 65.132 63.200 -0.099 0.000 1.150 680 S HN 0.811 nan 8.310 nan 0.000 0.479 681 S N 0.755 116.385 115.700 -0.116 0.000 2.474 681 S HA 0.433 5.147 4.470 0.406 0.000 0.321 681 S C 1.192 175.668 174.600 -0.207 0.000 1.080 681 S CA -0.981 57.143 58.200 -0.127 0.000 1.106 681 S CB -0.134 62.993 63.200 -0.122 0.000 0.984 681 S HN 0.600 nan 8.310 nan 0.000 0.464 682 I N 5.149 125.577 120.570 -0.237 0.000 2.113 682 I HA -0.224 4.190 4.170 0.406 0.000 0.242 682 I C 2.619 178.432 176.117 -0.506 0.000 1.064 682 I CA 2.104 63.121 61.300 -0.471 0.000 1.320 682 I CB -1.632 36.051 38.000 -0.528 0.000 1.028 682 I HN 0.930 nan 8.210 nan 0.000 0.406 683 H N 2.051 120.937 119.070 -0.306 0.000 2.423 683 H HA -0.155 4.644 4.556 0.406 0.000 0.297 683 H C 1.857 177.160 175.328 -0.042 0.000 1.075 683 H CA 1.652 57.612 56.048 -0.147 0.000 1.342 683 H CB -0.273 29.439 29.762 -0.082 0.000 1.395 683 H HN 0.634 nan 8.280 nan 0.000 0.530 684 E N 1.065 120.801 120.200 -0.773 0.000 2.107 684 E HA -0.136 4.457 4.350 0.406 0.000 0.191 684 E C 1.883 178.370 176.600 -0.187 0.000 0.982 684 E CA 0.980 57.052 56.400 -0.547 0.000 0.809 684 E CB -0.161 29.277 29.700 -0.436 0.000 0.756 684 E HN 0.602 nan 8.360 nan 0.000 0.459 685 E N -0.098 120.020 120.200 -0.136 0.000 2.072 685 E HA -0.101 4.493 4.350 0.406 0.000 0.190 685 E C 1.770 178.480 176.600 0.182 0.000 0.982 685 E CA 0.752 57.150 56.400 -0.004 0.000 0.803 685 E CB -0.131 29.549 29.700 -0.034 0.000 0.755 685 E HN 0.232 nan 8.360 nan 0.000 0.453 686 F N 1.091 121.015 119.950 -0.043 0.000 2.126 686 F HA -0.162 4.608 4.527 0.405 0.000 0.299 686 F C 2.156 177.991 175.800 0.058 0.000 1.096 686 F CA 0.942 58.947 58.000 0.007 0.000 1.255 686 F CB -0.784 38.223 39.000 0.012 0.000 0.997 686 F HN 0.020 nan 8.300 nan 0.000 0.479 687 L N -0.652 120.711 121.223 0.233 0.000 2.017 687 L HA -0.229 4.355 4.340 0.406 0.000 0.208 687 L C 2.700 179.683 176.870 0.189 0.000 1.073 687 L CA 1.404 56.357 54.840 0.188 0.000 0.745 687 L CB -0.686 41.446 42.059 0.121 0.000 0.894 687 L HN 0.146 nan 8.230 nan 0.000 0.432 688 Q N 0.271 120.142 119.800 0.119 0.000 2.030 688 Q HA -0.253 4.331 4.340 0.406 0.000 0.204 688 Q C 2.215 178.274 176.000 0.099 0.000 0.986 688 Q CA 2.073 57.929 55.803 0.087 0.000 0.843 688 Q CB -0.197 28.559 28.738 0.031 0.000 0.904 688 Q HN 0.492 nan 8.270 nan 0.000 0.420 689 M N -0.793 118.872 119.600 0.107 0.000 2.117 689 M HA -0.201 4.523 4.480 0.406 0.000 0.262 689 M C 2.102 178.456 176.300 0.089 0.000 1.065 689 M CA 1.702 57.050 55.300 0.080 0.000 1.114 689 M CB -0.563 32.076 32.600 0.065 0.000 1.361 689 M HN 0.229 nan 8.290 nan 0.000 0.408 690 Y N 1.494 121.823 120.300 0.049 0.000 2.114 690 Y HA -0.275 4.519 4.550 0.406 0.000 0.284 690 Y C 1.916 177.916 175.900 0.166 0.000 1.143 690 Y CA 1.886 60.026 58.100 0.066 0.000 1.135 690 Y CB -0.447 38.025 38.460 0.020 0.000 0.980 690 Y HN 0.196 nan 8.280 nan 0.000 0.499 691 D N 0.240 120.677 120.400 0.061 0.000 2.149 691 D HA -0.204 4.680 4.640 0.406 0.000 0.198 691 D C 2.055 178.439 176.300 0.140 0.000 0.990 691 D CA 1.722 55.790 54.000 0.114 0.000 0.839 691 D CB -0.281 40.648 40.800 0.215 0.000 0.948 691 D HN 0.631 nan 8.370 nan 0.000 0.460 692 E N 0.059 120.305 120.200 0.076 0.000 2.072 692 E HA -0.096 4.497 4.350 0.406 0.000 0.191 692 E C 2.012 178.628 176.600 0.027 0.000 0.985 692 E CA 0.886 57.320 56.400 0.056 0.000 0.801 692 E CB 0.041 29.757 29.700 0.026 0.000 0.750 692 E HN 0.176 nan 8.360 nan 0.000 0.452 693 A N 0.571 123.386 122.820 -0.008 0.000 1.877 693 A HA -0.209 4.355 4.320 0.406 0.000 0.216 693 A C 1.914 179.475 177.584 -0.038 0.000 1.186 693 A CA 1.496 53.514 52.037 -0.032 0.000 0.620 693 A CB -1.237 17.740 19.000 -0.038 0.000 0.822 693 A HN 0.676 nan 8.150 nan 0.000 0.443 694 W N 0.783 121.922 121.300 -0.269 0.000 2.358 694 W HA -0.171 4.733 4.660 0.406 0.000 0.303 694 W C 2.168 178.657 176.519 -0.050 0.000 1.208 694 W CA 2.107 59.342 57.345 -0.184 0.000 1.274 694 W CB 0.015 29.291 29.460 -0.306 0.000 1.138 694 W HN 0.282 nan 8.180 nan 0.000 0.515 695 K N 0.015 120.455 120.400 0.067 0.000 2.097 695 K HA -0.157 4.407 4.320 0.406 0.000 0.205 695 K C 1.997 178.484 176.600 -0.188 0.000 1.050 695 K CA 1.534 57.758 56.287 -0.104 0.000 0.938 695 K CB -0.399 32.168 32.500 0.111 0.000 0.718 695 K HN 0.280 nan 8.250 nan 0.000 0.442 696 L N 0.379 121.528 121.223 -0.124 0.000 2.044 696 L HA -0.090 4.494 4.340 0.406 0.000 0.205 696 L C 2.595 179.340 176.870 -0.209 0.000 1.075 696 L CA 1.117 55.886 54.840 -0.118 0.000 0.747 696 L CB -0.509 41.513 42.059 -0.062 0.000 0.903 696 L HN 0.215 nan 8.230 nan 0.000 0.435 697 A N -0.049 122.609 122.820 -0.270 0.000 1.948 697 A HA -0.274 4.289 4.320 0.406 0.000 0.220 697 A C 2.452 179.733 177.584 -0.505 0.000 1.177 697 A CA 2.044 53.817 52.037 -0.441 0.000 0.636 697 A CB -0.589 18.170 19.000 -0.402 0.000 0.815 697 A HN 0.366 nan 8.150 nan 0.000 0.449 698 R N -0.751 119.495 120.500 -0.424 0.000 2.062 698 R HA -0.099 4.484 4.340 0.406 0.000 0.226 698 R C 1.372 177.536 176.300 -0.228 0.000 1.125 698 R CA 1.406 57.304 56.100 -0.337 0.000 0.966 698 R CB -0.293 29.667 30.300 -0.565 0.000 0.861 698 R HN 0.403 nan 8.270 nan 0.000 0.433 699 D N 0.544 120.810 120.400 -0.222 0.000 2.178 699 D HA -0.124 4.759 4.640 0.406 0.000 0.201 699 D C 1.014 177.222 176.300 -0.153 0.000 0.980 699 D CA 1.093 54.999 54.000 -0.157 0.000 0.842 699 D CB -0.158 40.575 40.800 -0.112 0.000 0.948 699 D HN 0.256 nan 8.370 nan 0.000 0.472 700 N N -0.737 117.864 118.700 -0.164 0.000 2.254 700 N HA -0.061 4.923 4.740 0.406 0.000 0.190 700 N C 0.107 175.495 175.510 -0.203 0.000 1.107 700 N CA -0.229 52.711 53.050 -0.183 0.000 0.869 700 N CB 0.021 38.412 38.487 -0.160 0.000 0.983 700 N HN 0.193 nan 8.380 nan 0.000 0.487 701 Y N 2.799 122.921 120.300 -0.298 0.000 2.811 701 Y HA -0.161 4.632 4.550 0.406 0.000 0.334 701 Y C 1.739 177.515 175.900 -0.206 0.000 1.247 701 Y CA -0.535 57.408 58.100 -0.263 0.000 1.526 701 Y CB 0.417 38.700 38.460 -0.295 0.000 1.284 701 Y HN 0.210 nan 8.280 nan 0.000 0.586 702 W N 4.614 125.338 121.300 -0.961 0.000 2.350 702 W HA -0.215 4.688 4.660 0.405 0.000 0.289 702 W C -0.641 175.580 176.519 -0.497 0.000 1.215 702 W CA 1.032 57.964 57.345 -0.689 0.000 1.236 702 W CB -0.626 28.444 29.460 -0.650 0.000 1.130 702 W HN 0.621 nan 8.180 nan 0.000 0.541 703 N N 1.559 119.374 118.700 -1.475 0.000 2.501 703 N HA 0.044 5.027 4.740 0.406 0.000 0.245 703 N C 0.947 176.219 175.510 -0.395 0.000 0.974 703 N CA -0.120 52.259 53.050 -1.118 0.000 0.941 703 N CB 1.240 38.764 38.487 -1.605 0.000 1.122 703 N HN 0.046 nan 8.380 nan 0.000 0.507 704 E N 3.365 123.383 120.200 -0.303 0.000 2.058 704 E HA -0.245 4.348 4.350 0.406 0.000 0.194 704 E C 1.661 178.180 176.600 -0.136 0.000 0.997 704 E CA 1.508 57.803 56.400 -0.175 0.000 0.801 704 E CB 0.019 29.620 29.700 -0.165 0.000 0.746 704 E HN 0.769 nan 8.360 nan 0.000 0.450 705 A N 0.558 123.284 122.820 -0.158 0.000 1.865 705 A HA -0.198 4.366 4.320 0.406 0.000 0.217 705 A C 2.455 179.978 177.584 -0.102 0.000 1.191 705 A CA 1.862 53.829 52.037 -0.117 0.000 0.623 705 A CB -0.999 17.931 19.000 -0.118 0.000 0.826 705 A HN 0.240 nan 8.150 nan 0.000 0.444 706 V N -0.060 119.782 119.914 -0.121 0.000 2.324 706 V HA -0.305 4.059 4.120 0.406 0.000 0.250 706 V C 3.050 179.078 176.094 -0.109 0.000 1.060 706 V CA 2.121 64.361 62.300 -0.100 0.000 1.042 706 V CB -1.337 30.450 31.823 -0.060 0.000 0.650 706 V HN 0.653 nan 8.190 nan 0.000 0.450 707 A N -0.462 122.334 122.820 -0.041 0.000 1.978 707 A HA -0.287 4.276 4.320 0.406 0.000 0.220 707 A C 2.343 179.889 177.584 -0.065 0.000 1.170 707 A CA 2.231 54.260 52.037 -0.014 0.000 0.636 707 A CB -0.483 18.538 19.000 0.035 0.000 0.810 707 A HN 0.577 nan 8.150 nan 0.000 0.448 708 K N -0.580 119.781 120.400 -0.065 0.000 2.025 708 K HA -0.178 4.386 4.320 0.406 0.000 0.207 708 K C 2.162 178.745 176.600 -0.028 0.000 1.049 708 K CA 1.510 57.770 56.287 -0.045 0.000 0.933 708 K CB -0.160 32.315 32.500 -0.043 0.000 0.714 708 K HN 0.464 nan 8.250 nan 0.000 0.438 709 E N 0.835 121.007 120.200 -0.047 0.000 2.046 709 E HA -0.141 4.452 4.350 0.406 0.000 0.190 709 E C 2.080 178.650 176.600 -0.050 0.000 0.982 709 E CA 0.838 57.217 56.400 -0.034 0.000 0.800 709 E CB 0.035 29.712 29.700 -0.039 0.000 0.756 709 E HN 0.271 nan 8.360 nan 0.000 0.449 710 I N 1.830 122.314 120.570 -0.143 0.000 2.127 710 I HA -0.289 4.124 4.170 0.406 0.000 0.241 710 I C 2.776 178.796 176.117 -0.161 0.000 1.075 710 I CA 1.618 62.761 61.300 -0.262 0.000 1.334 710 I CB -1.767 35.837 38.000 -0.660 0.000 1.040 710 I HN 0.138 nan 8.210 nan 0.000 0.405 711 S N 1.232 116.866 115.700 -0.109 0.000 2.351 711 S HA -0.236 4.477 4.470 0.406 0.000 0.220 711 S C 1.793 176.674 174.600 0.468 0.000 1.035 711 S CA 1.465 59.720 58.200 0.092 0.000 1.031 711 S CB -0.885 62.212 63.200 -0.171 0.000 0.928 711 S HN 0.528 nan 8.310 nan 0.000 0.433 712 E N 0.873 121.259 120.200 0.310 0.000 2.204 712 E HA -0.087 4.507 4.350 0.406 0.000 0.195 712 E C 2.267 179.007 176.600 0.233 0.000 0.990 712 E CA 0.738 57.317 56.400 0.299 0.000 0.821 712 E CB -0.174 29.624 29.700 0.164 0.000 0.750 712 E HN 0.544 nan 8.360 nan 0.000 0.477 713 R N 1.216 121.821 120.500 0.175 0.000 2.297 713 R HA 0.012 4.595 4.340 0.406 0.000 0.197 713 R C 1.882 178.285 176.300 0.171 0.000 0.943 713 R CA 0.427 56.604 56.100 0.129 0.000 1.038 713 R CB 0.145 30.485 30.300 0.067 0.000 0.957 713 R HN 0.305 nan 8.270 nan 0.000 0.484 714 I N -4.417 116.326 120.570 0.289 0.000 4.403 714 I HA 0.120 4.533 4.170 0.406 0.000 0.331 714 I C 1.468 177.852 176.117 0.445 0.000 1.327 714 I CA -0.461 61.058 61.300 0.364 0.000 1.175 714 I CB -0.326 37.931 38.000 0.428 0.000 1.165 714 I HN -0.103 nan 8.210 nan 0.000 0.413 715 Y N 2.956 123.441 120.300 0.308 0.000 1.979 715 Y HA -0.359 4.435 4.550 0.406 0.000 0.262 715 Y C 2.749 178.677 175.900 0.047 0.000 1.142 715 Y CA 2.788 60.890 58.100 0.004 0.000 1.096 715 Y CB -0.154 38.080 38.460 -0.377 0.000 0.958 715 Y HN 0.314 nan 8.280 nan 0.000 0.484 716 E N 0.578 120.765 120.200 -0.021 0.000 2.070 716 E HA -0.342 4.252 4.350 0.406 0.000 0.197 716 E C 2.364 178.887 176.600 -0.127 0.000 1.004 716 E CA 1.810 58.144 56.400 -0.110 0.000 0.805 716 E CB -0.386 29.334 29.700 0.033 0.000 0.744 716 E HN 0.529 nan 8.360 nan 0.000 0.451 717 K N -0.310 120.045 120.400 -0.075 0.000 2.034 717 K HA -0.229 4.334 4.320 0.406 0.000 0.214 717 K C 1.922 178.426 176.600 -0.159 0.000 1.051 717 K CA 2.045 58.233 56.287 -0.164 0.000 0.931 717 K CB -0.357 31.962 32.500 -0.300 0.000 0.715 717 K HN 0.285 nan 8.250 nan 0.000 0.446 718 Y N -0.101 120.223 120.300 0.040 0.000 2.517 718 Y HA 0.066 4.860 4.550 0.406 0.000 0.281 718 Y C 2.513 178.116 175.900 -0.496 0.000 1.125 718 Y CA 0.518 58.592 58.100 -0.043 0.000 1.283 718 Y CB 0.123 38.669 38.460 0.144 0.000 1.042 718 Y HN 0.103 nan 8.280 nan 0.000 0.547 719 R N 0.709 120.881 120.500 -0.547 0.000 2.115 719 R HA -0.136 4.447 4.340 0.406 0.000 0.230 719 R C 1.423 177.474 176.300 -0.415 0.000 1.111 719 R CA 1.316 56.925 56.100 -0.819 0.000 0.976 719 R CB -0.067 29.784 30.300 -0.749 0.000 0.870 719 R HN 0.283 nan 8.270 nan 0.000 0.445 720 N N 0.656 119.212 118.700 -0.241 0.000 2.443 720 N HA -0.131 4.852 4.740 0.406 0.000 0.184 720 N C 1.403 176.835 175.510 -0.129 0.000 1.037 720 N CA 0.937 53.906 53.050 -0.135 0.000 0.896 720 N CB 0.034 38.487 38.487 -0.057 0.000 0.959 720 N HN 0.343 nan 8.380 nan 0.000 0.442 721 L N -0.418 120.707 121.223 -0.163 0.000 2.477 721 L HA 0.101 4.684 4.340 0.406 0.000 0.220 721 L C 1.942 178.733 176.870 -0.131 0.000 1.106 721 L CA 0.036 54.788 54.840 -0.146 0.000 0.851 721 L CB -0.001 41.968 42.059 -0.150 0.000 0.994 721 L HN -0.120 nan 8.230 nan 0.000 0.462 722 V N 1.237 121.040 119.914 -0.185 0.000 2.287 722 V HA -0.160 4.204 4.120 0.406 0.000 0.248 722 V C -0.106 175.998 176.094 0.017 0.000 1.053 722 V CA 2.029 64.260 62.300 -0.114 0.000 1.027 722 V CB -1.617 30.096 31.823 -0.183 0.000 0.646 722 V HN 0.385 nan 8.190 nan 0.000 0.447 723 P HA -0.110 nan 4.420 nan 0.000 0.225 723 P C 1.535 178.844 177.300 0.015 0.000 1.148 723 P CA 1.275 64.389 63.100 0.024 0.000 0.779 723 P CB -0.058 31.633 31.700 -0.016 0.000 0.780 724 L N -1.414 119.805 121.223 -0.008 0.000 2.418 724 L HA 0.071 4.654 4.340 0.406 0.000 0.218 724 L C 1.178 178.068 176.870 0.033 0.000 1.125 724 L CA 0.041 54.871 54.840 -0.016 0.000 0.835 724 L CB -0.719 41.304 42.059 -0.060 0.000 0.953 724 L HN -0.094 nan 8.230 nan 0.000 0.454 725 C N 0.993 120.348 119.300 0.092 0.000 2.585 725 C HA 0.156 4.859 4.460 0.406 0.000 0.406 725 C C 1.482 176.679 174.990 0.345 0.000 1.312 725 C CA -0.320 58.813 59.018 0.191 0.000 1.924 725 C CB 0.568 28.391 27.740 0.139 0.000 2.578 725 C HN 0.324 nan 8.230 nan 0.000 0.580 726 K N 0.382 120.959 120.400 0.295 0.000 2.450 726 K HA 0.129 4.693 4.320 0.406 0.000 0.206 726 K C 0.777 177.534 176.600 0.263 0.000 1.148 726 K CA 0.314 56.722 56.287 0.202 0.000 1.014 726 K CB 0.517 33.082 32.500 0.109 0.000 0.966 726 K HN 0.888 nan 8.250 nan 0.000 0.566 727 T N -3.066 111.726 114.554 0.396 0.000 2.906 727 T HA 0.395 4.989 4.350 0.406 0.000 0.295 727 T C 0.712 175.656 174.700 0.406 0.000 1.075 727 T CA -0.886 61.439 62.100 0.375 0.000 1.005 727 T CB 2.162 71.195 68.868 0.275 0.000 1.136 727 T HN -0.169 nan 8.240 nan 0.000 0.498 728 R N 0.102 120.774 120.500 0.288 0.000 2.091 728 R HA -0.115 4.468 4.340 0.406 0.000 0.238 728 R C 1.871 178.158 176.300 -0.021 0.000 1.136 728 R CA 1.801 57.859 56.100 -0.069 0.000 0.959 728 R CB -1.572 28.479 30.300 -0.416 0.000 0.856 728 R HN 0.791 nan 8.270 nan 0.000 0.437 729 Y N 1.178 121.603 120.300 0.207 0.000 2.274 729 Y HA -0.179 4.614 4.550 0.406 0.000 0.290 729 Y C 1.471 177.464 175.900 0.154 0.000 1.145 729 Y CA 1.956 60.269 58.100 0.355 0.000 1.203 729 Y CB -0.274 38.371 38.460 0.309 0.000 0.984 729 Y HN 0.168 nan 8.280 nan 0.000 0.533 730 D N 0.136 120.558 120.400 0.036 0.000 2.084 730 D HA -0.225 4.659 4.640 0.406 0.000 0.194 730 D C 2.425 178.611 176.300 -0.189 0.000 0.990 730 D CA 1.379 55.332 54.000 -0.077 0.000 0.826 730 D CB -0.602 40.227 40.800 0.048 0.000 0.971 730 D HN 0.385 nan 8.370 nan 0.000 0.453 731 L N 0.552 121.578 121.223 -0.328 0.000 2.127 731 L HA -0.190 4.393 4.340 0.406 0.000 0.211 731 L C 2.411 179.156 176.870 -0.210 0.000 1.089 731 L CA 1.018 55.591 54.840 -0.444 0.000 0.757 731 L CB -0.208 41.282 42.059 -0.947 0.000 0.899 731 L HN 0.004 nan 8.230 nan 0.000 0.434 732 S N 0.101 115.728 115.700 -0.122 0.000 2.356 732 S HA -0.220 4.493 4.470 0.406 0.000 0.223 732 S C 1.577 176.131 174.600 -0.076 0.000 1.032 732 S CA 2.004 60.205 58.200 0.001 0.000 1.005 732 S CB -0.197 63.137 63.200 0.224 0.000 0.867 732 S HN 0.526 nan 8.310 nan 0.000 0.449 733 N N 0.346 118.928 118.700 -0.196 0.000 2.104 733 N HA -0.080 4.904 4.740 0.406 0.000 0.190 733 N C 1.604 177.075 175.510 -0.064 0.000 1.024 733 N CA 1.528 54.482 53.050 -0.160 0.000 0.853 733 N CB -0.310 38.044 38.487 -0.222 0.000 1.008 733 N HN 0.237 nan 8.380 nan 0.000 0.424 734 V N 0.674 120.550 119.914 -0.063 0.000 2.283 734 V HA -0.130 4.233 4.120 0.406 0.000 0.243 734 V C 2.054 178.151 176.094 0.005 0.000 1.039 734 V CA 1.255 63.557 62.300 0.004 0.000 1.016 734 V CB -0.446 31.363 31.823 -0.024 0.000 0.650 734 V HN 0.276 nan 8.190 nan 0.000 0.449 735 I N -0.157 120.432 120.570 0.031 0.000 2.163 735 I HA -0.229 4.185 4.170 0.406 0.000 0.243 735 I C 2.388 178.503 176.117 -0.003 0.000 1.085 735 I CA 1.332 62.669 61.300 0.062 0.000 1.347 735 I CB -0.359 37.678 38.000 0.062 0.000 1.044 735 I HN 0.139 nan 8.210 nan 0.000 0.408 736 V N 0.459 120.375 119.914 0.004 0.000 2.343 736 V HA -0.252 4.112 4.120 0.406 0.000 0.247 736 V C 2.477 178.561 176.094 -0.016 0.000 1.051 736 V CA 1.722 64.043 62.300 0.035 0.000 1.036 736 V CB -0.635 31.233 31.823 0.076 0.000 0.654 736 V HN 0.409 nan 8.190 nan 0.000 0.451 737 E N 0.162 120.304 120.200 -0.098 0.000 2.077 737 E HA -0.269 4.324 4.350 0.406 0.000 0.193 737 E C 2.190 178.467 176.600 -0.540 0.000 0.989 737 E CA 1.969 58.249 56.400 -0.200 0.000 0.800 737 E CB -0.370 29.293 29.700 -0.063 0.000 0.746 737 E HN 0.762 nan 8.360 nan 0.000 0.452 738 M N 0.375 119.510 119.600 -0.775 0.000 2.254 738 M HA -0.099 4.624 4.480 0.406 0.000 0.265 738 M C 1.788 178.015 176.300 -0.121 0.000 1.066 738 M CA 1.586 56.465 55.300 -0.700 0.000 1.123 738 M CB -0.306 32.103 32.600 -0.318 0.000 1.388 738 M HN -0.116 nan 8.290 nan 0.000 0.425 739 Q N 0.616 120.401 119.800 -0.024 0.000 2.124 739 Q HA -0.006 4.578 4.340 0.406 0.000 0.202 739 Q C 2.229 178.322 176.000 0.156 0.000 0.977 739 Q CA 1.362 57.233 55.803 0.114 0.000 0.850 739 Q CB -0.676 28.104 28.738 0.071 0.000 0.901 739 Q HN 0.806 nan 8.270 nan 0.000 0.429 740 G N 1.244 110.085 108.800 0.067 0.000 2.448 740 G HA2 -0.248 3.955 3.960 0.406 0.000 0.219 740 G HA3 -0.248 3.955 3.960 0.406 0.000 0.219 740 G C 1.146 176.079 174.900 0.055 0.000 1.127 740 G CA 0.431 45.572 45.100 0.068 0.000 0.766 740 G HN 0.200 nan 8.290 nan 0.000 0.552 741 E N 0.106 120.309 120.200 0.005 0.000 2.333 741 E HA -0.139 4.454 4.350 0.406 0.000 0.200 741 E C 1.490 177.981 176.600 -0.182 0.000 1.010 741 E CA 0.658 57.022 56.400 -0.060 0.000 0.841 741 E CB -0.272 29.380 29.700 -0.080 0.000 0.757 741 E HN 0.708 nan 8.360 nan 0.000 0.508 742 Y N 0.187 120.447 120.300 -0.067 0.000 2.511 742 Y HA 0.120 4.914 4.550 0.407 0.000 0.279 742 Y C 0.703 176.596 175.900 -0.012 0.000 1.157 742 Y CA 0.021 58.022 58.100 -0.164 0.000 1.300 742 Y CB 0.098 38.393 38.460 -0.275 0.000 1.052 742 Y HN -0.116 nan 8.280 nan 0.000 0.529 743 R N 0.378 120.996 120.500 0.198 0.000 3.484 743 R HA -0.181 4.402 4.340 0.406 0.000 0.260 743 R C -0.576 175.925 176.300 0.334 0.000 1.053 743 R CA 1.005 57.320 56.100 0.358 0.000 0.703 743 R CB -2.429 28.053 30.300 0.304 0.000 1.089 743 R HN 0.112 nan 8.270 nan 0.000 0.459 744 T N -1.170 113.349 114.554 -0.058 0.000 2.916 744 T HA 0.461 5.054 4.350 0.406 0.000 0.292 744 T C 0.450 174.409 174.700 -1.236 0.000 1.064 744 T CA -0.381 61.514 62.100 -0.342 0.000 1.011 744 T CB 1.880 70.818 68.868 0.116 0.000 1.152 744 T HN 0.233 nan 8.240 nan 0.000 0.510 745 S N 0.068 114.914 115.700 -1.423 0.000 2.633 745 S HA 0.245 4.958 4.470 0.406 0.000 0.257 745 S C 0.024 174.334 174.600 -0.484 0.000 1.265 745 S CA -0.203 57.144 58.200 -1.422 0.000 0.980 745 S CB -0.417 62.108 63.200 -1.125 0.000 1.017 745 S HN 0.914 nan 8.310 nan 0.000 0.577 746 H N -1.447 117.384 119.070 -0.398 0.000 2.741 746 H HA -0.115 4.684 4.556 0.406 0.000 0.305 746 H C -0.522 174.234 175.328 -0.954 0.000 1.169 746 H CA 0.869 56.435 56.048 -0.803 0.000 1.144 746 H CB -2.274 27.274 29.762 -0.358 0.000 1.397 746 H HN 0.444 nan 8.280 nan 0.000 0.409 747 S N 0.905 116.226 115.700 -0.631 0.000 2.567 747 S HA 0.389 5.103 4.470 0.406 0.000 0.262 747 S C -0.208 174.318 174.600 -0.124 0.000 1.237 747 S CA -0.662 57.366 58.200 -0.288 0.000 1.093 747 S CB 0.196 63.350 63.200 -0.076 0.000 1.095 747 S HN 0.339 nan 8.310 nan 0.000 0.489 748 Y N 0.948 121.249 120.300 0.000 0.000 2.631 748 Y HA 0.619 5.413 4.550 0.405 0.000 0.328 748 Y C 0.566 176.450 175.900 -0.026 0.000 1.118 748 Y CA -1.294 56.777 58.100 -0.049 0.000 1.206 748 Y CB 1.108 39.530 38.460 -0.063 0.000 1.337 748 Y HN 0.297 nan 8.280 nan 0.000 0.515 749 E N 2.113 122.410 120.200 0.161 0.000 2.302 749 E HA 0.368 4.961 4.350 0.406 0.000 0.263 749 E C -1.846 174.805 176.600 0.085 0.000 0.897 749 E CA -0.395 56.073 56.400 0.112 0.000 0.809 749 E CB 1.049 30.815 29.700 0.109 0.000 1.270 749 E HN 0.665 nan 8.360 nan 0.000 0.410 750 M N 2.179 121.833 119.600 0.091 0.000 2.662 750 M HA 0.635 5.358 4.480 0.406 0.000 0.310 750 M C 0.562 176.926 176.300 0.107 0.000 1.204 750 M CA -0.229 55.106 55.300 0.058 0.000 0.891 750 M CB 1.945 34.563 32.600 0.029 0.000 1.732 750 M HN 0.735 nan 8.290 nan 0.000 0.467 751 G N 0.774 109.633 108.800 0.098 0.000 2.645 751 G HA2 0.245 4.448 3.960 0.406 0.000 0.246 751 G HA3 0.245 4.448 3.960 0.406 0.000 0.246 751 G C 0.015 175.093 174.900 0.296 0.000 1.322 751 G CA -0.125 45.064 45.100 0.148 0.000 0.898 751 G HN 1.811 nan 8.290 nan 0.000 0.573 752 G N -3.768 105.192 108.800 0.266 0.000 2.612 752 G HA2 0.485 4.688 3.960 0.406 0.000 0.686 752 G HA3 0.485 4.688 3.960 0.406 0.000 0.686 752 G C -0.393 174.695 174.900 0.314 0.000 1.274 752 G CA 0.379 45.641 45.100 0.271 0.000 0.849 752 G HN 2.100 nan 8.290 nan 0.000 0.595 753 T N 1.351 115.999 114.554 0.156 0.000 2.842 753 T HA 0.577 5.171 4.350 0.406 0.000 0.308 753 T C 0.581 175.311 174.700 0.050 0.000 1.041 753 T CA -0.163 62.063 62.100 0.209 0.000 0.964 753 T CB 0.749 69.787 68.868 0.284 0.000 0.972 753 T HN 0.445 nan 8.240 nan 0.000 0.460 754 F N 1.089 121.104 119.950 0.109 0.000 2.678 754 F HA 0.309 5.080 4.527 0.405 0.000 0.291 754 F C 1.587 177.434 175.800 0.079 0.000 1.123 754 F CA -0.269 57.797 58.000 0.109 0.000 1.395 754 F CB 0.870 39.930 39.000 0.100 0.000 1.121 754 F HN 0.442 nan 8.300 nan 0.000 0.592 755 T N -1.024 113.670 114.554 0.234 0.000 2.792 755 T HA 0.199 4.793 4.350 0.406 0.000 0.303 755 T C -1.071 173.677 174.700 0.080 0.000 1.310 755 T CA -0.592 61.580 62.100 0.120 0.000 1.007 755 T CB 1.499 70.406 68.868 0.066 0.000 1.335 755 T HN 0.158 nan 8.240 nan 0.000 0.504 756 D N 0.473 120.896 120.400 0.038 0.000 2.479 756 D HA 0.177 5.061 4.640 0.406 0.000 0.218 756 D C -0.059 176.231 176.300 -0.017 0.000 1.177 756 D CA -0.376 53.637 54.000 0.022 0.000 0.830 756 D CB 0.332 41.148 40.800 0.027 0.000 1.014 756 D HN 0.223 nan 8.370 nan 0.000 0.503 757 K N 1.514 121.888 120.400 -0.043 0.000 2.249 757 K HA 0.146 4.710 4.320 0.406 0.000 0.280 757 K C -0.116 176.412 176.600 -0.121 0.000 1.033 757 K CA -0.503 55.727 56.287 -0.096 0.000 0.946 757 K CB 1.213 33.624 32.500 -0.147 0.000 1.005 757 K HN 0.044 nan 8.250 nan 0.000 0.469 758 D N 4.519 124.843 120.400 -0.125 0.000 2.455 758 D HA 0.059 4.942 4.640 0.406 0.000 0.241 758 D C -1.964 174.218 176.300 -0.196 0.000 1.138 758 D CA -1.081 52.848 54.000 -0.119 0.000 0.877 758 D CB 0.368 41.116 40.800 -0.087 0.000 1.187 758 D HN 0.242 nan 8.370 nan 0.000 0.451 759 P HA -0.035 nan 4.420 nan 0.000 0.268 759 P C -0.158 177.064 177.300 -0.130 0.000 1.208 759 P CA -0.146 62.871 63.100 -0.138 0.000 0.777 759 P CB 0.371 32.048 31.700 -0.039 0.000 0.875 760 F N 1.983 121.931 119.950 -0.004 0.000 2.529 760 F HA 0.123 4.893 4.527 0.406 0.000 0.365 760 F C 1.787 177.592 175.800 0.010 0.000 1.102 760 F CA 0.675 58.673 58.000 -0.003 0.000 1.271 760 F CB 0.214 39.201 39.000 -0.022 0.000 1.120 760 F HN 0.065 nan 8.300 nan 0.000 0.579 761 R N 1.398 122.046 120.500 0.247 0.000 2.668 761 R HA 0.619 5.202 4.340 0.406 0.000 0.279 761 R C -0.705 175.699 176.300 0.173 0.000 0.976 761 R CA -0.839 55.358 56.100 0.162 0.000 0.978 761 R CB 1.944 32.318 30.300 0.124 0.000 1.133 761 R HN 0.581 nan 8.270 nan 0.000 0.484 762 S N -0.232 115.550 115.700 0.137 0.000 2.547 762 S HA 0.562 5.275 4.470 0.406 0.000 0.281 762 S C -0.729 173.942 174.600 0.119 0.000 1.118 762 S CA -0.622 57.667 58.200 0.148 0.000 0.947 762 S CB 1.706 64.987 63.200 0.136 0.000 1.053 762 S HN 0.743 nan 8.310 nan 0.000 0.482 763 G N 3.462 112.337 108.800 0.124 0.000 2.329 763 G HA2 0.599 4.802 3.960 0.406 0.000 0.309 763 G HA3 0.599 4.802 3.960 0.406 0.000 0.309 763 G C -0.685 174.284 174.900 0.115 0.000 1.110 763 G CA -0.543 44.611 45.100 0.090 0.000 0.923 763 G HN 0.671 nan 8.290 nan 0.000 0.430 764 R N 1.234 121.789 120.500 0.092 0.000 2.740 764 R HA 0.544 5.128 4.340 0.406 0.000 0.282 764 R C 0.516 176.868 176.300 0.087 0.000 0.969 764 R CA -0.777 55.382 56.100 0.097 0.000 0.918 764 R CB 2.092 32.424 30.300 0.052 0.000 1.175 764 R HN 0.600 nan 8.270 nan 0.000 0.464 765 I N -1.239 119.394 120.570 0.105 0.000 3.817 765 I HA 0.475 4.888 4.170 0.406 0.000 0.322 765 I C 0.050 176.213 176.117 0.077 0.000 1.512 765 I CA -0.469 60.889 61.300 0.097 0.000 1.066 765 I CB 1.450 39.523 38.000 0.122 0.000 1.336 765 I HN 0.647 nan 8.210 nan 0.000 0.539 766 A N 0.294 123.134 122.820 0.033 0.000 2.610 766 A HA -0.186 4.377 4.320 0.406 0.000 0.299 766 A C 0.100 177.754 177.584 0.117 0.000 1.487 766 A CA 0.918 52.967 52.037 0.020 0.000 0.743 766 A CB -2.485 16.561 19.000 0.076 0.000 1.070 766 A HN 0.683 nan 8.150 nan 0.000 0.439 767 C N 0.000 119.287 119.300 -0.021 0.000 3.090 767 C HA 0.724 5.427 4.460 0.406 0.000 0.305 767 C C -0.625 174.097 174.990 -0.446 0.000 1.292 767 C CA -0.801 58.139 59.018 -0.130 0.000 1.482 767 C CB 2.147 29.776 27.740 -0.184 0.000 1.897 767 C HN 0.667 nan 8.230 nan 0.000 0.469 768 D N 1.231 121.421 120.400 -0.350 0.000 2.344 768 D HA 0.547 5.430 4.640 0.406 0.000 0.239 768 D C -0.886 175.171 176.300 -0.405 0.000 1.064 768 D CA 0.095 53.891 54.000 -0.340 0.000 0.829 768 D CB 0.911 41.709 40.800 -0.004 0.000 1.129 768 D HN 0.289 nan 8.370 nan 0.000 0.506 769 F N 0.988 121.051 119.950 0.188 0.000 2.397 769 F HA 0.429 5.199 4.527 0.406 0.000 0.331 769 F C 0.960 176.941 175.800 0.302 0.000 1.090 769 F CA -0.847 57.264 58.000 0.185 0.000 1.065 769 F CB 1.688 40.692 39.000 0.007 0.000 1.184 769 F HN -0.141 nan 8.300 nan 0.000 0.499 770 K N 2.938 123.626 120.400 0.480 0.000 2.507 770 K HA 0.313 4.877 4.320 0.406 0.000 0.252 770 K C -1.447 175.329 176.600 0.294 0.000 0.943 770 K CA -0.737 55.761 56.287 0.352 0.000 0.808 770 K CB 1.463 34.097 32.500 0.223 0.000 1.142 770 K HN 0.619 nan 8.250 nan 0.000 0.426 771 L N 5.207 126.542 121.223 0.187 0.000 2.454 771 L HA 0.168 4.751 4.340 0.406 0.000 0.284 771 L C -0.759 176.092 176.870 -0.031 0.000 1.139 771 L CA 0.684 55.470 54.840 -0.091 0.000 0.911 771 L CB 0.175 42.124 42.059 -0.183 0.000 1.262 771 L HN 0.774 nan 8.230 nan 0.000 0.453 772 D N 4.320 124.713 120.400 -0.011 0.000 2.414 772 D HA 0.455 5.338 4.640 0.406 0.000 0.232 772 D C 0.643 176.943 176.300 -0.001 0.000 1.070 772 D CA 0.731 54.741 54.000 0.016 0.000 0.839 772 D CB 1.639 42.472 40.800 0.055 0.000 1.079 772 D HN 0.803 nan 8.370 nan 0.000 0.521 773 G N 5.210 113.999 108.800 -0.019 0.000 2.523 773 G HA2 -0.306 3.897 3.960 0.406 0.000 0.271 773 G HA3 -0.306 3.897 3.960 0.406 0.000 0.271 773 G C 0.232 175.077 174.900 -0.091 0.000 1.146 773 G CA 0.561 45.646 45.100 -0.025 0.000 0.961 773 G HN 0.634 nan 8.290 nan 0.000 0.549 774 D N -0.303 120.020 120.400 -0.129 0.000 2.538 774 D HA 0.394 5.277 4.640 0.406 0.000 0.231 774 D C 0.377 176.367 176.300 -0.517 0.000 1.229 774 D CA -0.118 53.710 54.000 -0.287 0.000 0.828 774 D CB -0.003 40.630 40.800 -0.278 0.000 1.035 774 D HN 0.623 nan 8.370 nan 0.000 0.495 775 H N -0.406 118.579 119.070 -0.142 0.000 2.821 775 H HA 0.302 5.101 4.556 0.406 0.000 0.373 775 H C -1.093 174.163 175.328 -0.121 0.000 1.165 775 H CA -0.651 55.336 56.048 -0.102 0.000 1.154 775 H CB 1.338 31.084 29.762 -0.027 0.000 1.765 775 H HN -0.007 nan 8.280 nan 0.000 0.549 776 Y N 0.401 120.769 120.300 0.113 0.000 2.323 776 Y HA 0.312 5.106 4.550 0.406 0.000 0.331 776 Y C 0.293 176.267 175.900 0.123 0.000 1.092 776 Y CA -0.410 57.739 58.100 0.082 0.000 1.150 776 Y CB 1.795 40.231 38.460 -0.041 0.000 1.200 776 Y HN 0.202 nan 8.280 nan 0.000 0.472 777 V N 4.520 124.628 119.914 0.322 0.000 2.680 777 V HA 0.431 4.795 4.120 0.406 0.000 0.309 777 V C -0.917 175.352 176.094 0.291 0.000 1.052 777 V CA -0.916 61.529 62.300 0.243 0.000 0.908 777 V CB 1.868 33.787 31.823 0.160 0.000 1.001 777 V HN 0.524 nan 8.190 nan 0.000 0.431 778 V N 7.734 127.802 119.914 0.257 0.000 2.403 778 V HA 0.184 4.547 4.120 0.406 0.000 0.265 778 V C 1.392 177.559 176.094 0.121 0.000 1.034 778 V CA 0.927 63.354 62.300 0.212 0.000 1.036 778 V CB 0.362 32.283 31.823 0.164 0.000 1.032 778 V HN 1.117 nan 8.190 nan 0.000 0.478 779 A N 5.214 128.089 122.820 0.092 0.000 1.970 779 A HA 0.088 4.651 4.320 0.406 0.000 0.216 779 A C 1.071 178.649 177.584 -0.009 0.000 1.170 779 A CA 0.920 52.992 52.037 0.058 0.000 0.645 779 A CB 0.127 19.174 19.000 0.078 0.000 0.816 779 A HN 0.669 nan 8.150 nan 0.000 0.447 780 K N -1.509 118.852 120.400 -0.064 0.000 2.557 780 K HA 0.552 5.115 4.320 0.406 0.000 0.257 780 K C -1.907 174.585 176.600 -0.179 0.000 0.933 780 K CA -0.205 55.976 56.287 -0.176 0.000 0.820 780 K CB 1.770 34.073 32.500 -0.328 0.000 1.330 780 K HN 0.139 nan 8.250 nan 0.000 0.432 781 A N 4.112 126.841 122.820 -0.151 0.000 2.399 781 A HA 0.426 4.989 4.320 0.406 0.000 0.327 781 A C -1.378 176.244 177.584 0.063 0.000 1.367 781 A CA -0.514 51.514 52.037 -0.015 0.000 0.842 781 A CB -0.059 18.921 19.000 -0.033 0.000 1.142 781 A HN 0.596 nan 8.150 nan 0.000 0.495 782 Y N 1.069 121.416 120.300 0.078 0.000 2.511 782 Y HA 0.345 5.138 4.550 0.406 0.000 0.332 782 Y C 0.892 176.829 175.900 0.062 0.000 1.177 782 Y CA 1.129 59.251 58.100 0.037 0.000 1.422 782 Y CB 0.848 39.284 38.460 -0.040 0.000 1.271 782 Y HN 0.843 nan 8.280 nan 0.000 0.550 783 A N 1.794 124.624 122.820 0.017 0.000 2.513 783 A HA 0.641 5.205 4.320 0.406 0.000 0.296 783 A C 0.132 177.488 177.584 -0.379 0.000 1.052 783 A CA -0.090 51.773 52.037 -0.289 0.000 0.714 783 A CB 0.679 19.255 19.000 -0.707 0.000 1.279 783 A HN 0.836 nan 8.150 nan 0.000 0.397 784 G N 0.087 108.663 108.800 -0.373 0.000 2.992 784 G HA2 0.396 4.599 3.960 0.406 0.000 0.195 784 G HA3 0.396 4.599 3.960 0.406 0.000 0.195 784 G C -0.371 174.303 174.900 -0.375 0.000 2.032 784 G CA 0.583 45.488 45.100 -0.326 0.000 0.831 784 G HN 0.678 nan 8.290 nan 0.000 0.647 785 D N -0.451 119.800 120.400 -0.249 0.000 2.396 785 D HA 0.239 5.122 4.640 0.406 0.000 0.225 785 D C 0.621 176.840 176.300 -0.136 0.000 1.121 785 D CA -0.679 53.225 54.000 -0.161 0.000 0.853 785 D CB 0.814 41.580 40.800 -0.056 0.000 1.043 785 D HN 0.211 nan 8.370 nan 0.000 0.500 786 Y N 1.817 122.045 120.300 -0.120 0.000 2.228 786 Y HA -0.222 4.572 4.550 0.406 0.000 0.285 786 Y C 2.502 178.356 175.900 -0.077 0.000 1.178 786 Y CA 1.163 59.177 58.100 -0.143 0.000 1.202 786 Y CB -0.143 38.209 38.460 -0.180 0.000 0.974 786 Y HN 0.354 nan 8.280 nan 0.000 0.527 787 S N -0.783 114.976 115.700 0.099 0.000 2.501 787 S HA 0.002 4.715 4.470 0.406 0.000 0.220 787 S C 0.688 175.312 174.600 0.040 0.000 0.997 787 S CA -0.151 58.083 58.200 0.057 0.000 0.919 787 S CB -0.202 63.024 63.200 0.043 0.000 0.778 787 S HN 0.310 nan 8.310 nan 0.000 0.523 788 N N 2.155 120.876 118.700 0.035 0.000 2.317 788 N HA 0.116 5.099 4.740 0.406 0.000 0.245 788 N C 0.014 175.553 175.510 0.049 0.000 1.294 788 N CA 0.010 53.085 53.050 0.042 0.000 0.924 788 N CB 0.276 38.797 38.487 0.056 0.000 1.186 788 N HN 0.327 nan 8.380 nan 0.000 0.495 789 E N -0.613 119.619 120.200 0.053 0.000 2.249 789 E HA 0.344 4.937 4.350 0.406 0.000 0.280 789 E C 0.056 176.712 176.600 0.093 0.000 1.016 789 E CA -0.505 55.924 56.400 0.049 0.000 0.830 789 E CB 0.290 29.998 29.700 0.013 0.000 1.081 789 E HN 0.706 nan 8.360 nan 0.000 0.395 790 G N 4.014 112.868 108.800 0.091 0.000 2.338 790 G HA2 -0.290 3.913 3.960 0.406 0.000 0.296 790 G HA3 -0.290 3.913 3.960 0.406 0.000 0.296 790 G C 0.121 175.132 174.900 0.185 0.000 1.040 790 G CA 0.711 45.892 45.100 0.135 0.000 1.004 790 G HN 0.708 nan 8.290 nan 0.000 0.509 791 E N -0.672 119.580 120.200 0.087 0.000 2.887 791 E HA 0.198 4.792 4.350 0.406 0.000 0.206 791 E C 0.669 177.230 176.600 -0.065 0.000 0.983 791 E CA 0.125 56.512 56.400 -0.022 0.000 1.141 791 E CB 0.398 30.054 29.700 -0.074 0.000 1.061 791 E HN 0.826 nan 8.360 nan 0.000 0.468 792 K N -1.354 119.067 120.400 0.034 0.000 2.615 792 K HA 0.345 4.909 4.320 0.406 0.000 0.291 792 K C -0.724 176.028 176.600 0.253 0.000 1.017 792 K CA -0.849 55.502 56.287 0.107 0.000 0.882 792 K CB 1.295 33.807 32.500 0.021 0.000 1.522 792 K HN -0.066 nan 8.250 nan 0.000 0.412 793 S N 1.184 117.145 115.700 0.435 0.000 2.531 793 S HA 0.175 4.889 4.470 0.406 0.000 0.279 793 S C -1.286 173.479 174.600 0.275 0.000 1.305 793 S CA -1.313 57.054 58.200 0.279 0.000 1.058 793 S CB 0.406 63.700 63.200 0.157 0.000 0.899 793 S HN 0.534 nan 8.310 nan 0.000 0.493 794 P HA -0.130 nan 4.420 nan 0.000 0.222 794 P C 1.350 178.758 177.300 0.181 0.000 1.142 794 P CA 1.078 64.277 63.100 0.166 0.000 0.788 794 P CB -0.044 31.732 31.700 0.126 0.000 0.767 795 I N -1.697 118.930 120.570 0.094 0.000 2.394 795 I HA -0.204 4.209 4.170 0.406 0.000 0.251 795 I C 2.248 178.408 176.117 0.072 0.000 1.136 795 I CA 1.161 62.481 61.300 0.032 0.000 1.425 795 I CB -0.644 37.250 38.000 -0.175 0.000 1.079 795 I HN -0.171 nan 8.210 nan 0.000 0.425 796 F N 1.302 121.319 119.950 0.111 0.000 2.202 796 F HA -0.234 4.537 4.527 0.406 0.000 0.301 796 F C 2.408 178.244 175.800 0.059 0.000 1.082 796 F CA 1.240 59.296 58.000 0.094 0.000 1.313 796 F CB -0.409 38.678 39.000 0.145 0.000 1.024 796 F HN 0.108 nan 8.300 nan 0.000 0.495 797 E N -1.005 119.325 120.200 0.216 0.000 2.331 797 E HA -0.230 4.363 4.350 0.406 0.000 0.199 797 E C 1.142 177.652 176.600 -0.149 0.000 1.008 797 E CA 1.005 57.413 56.400 0.012 0.000 0.843 797 E CB -0.275 29.383 29.700 -0.070 0.000 0.761 797 E HN 0.554 nan 8.360 nan 0.000 0.507 798 Y N -0.152 120.167 120.300 0.032 0.000 2.471 798 Y HA 0.162 4.955 4.550 0.406 0.000 0.286 798 Y C 1.405 177.305 175.900 0.000 0.000 1.188 798 Y CA 0.420 58.520 58.100 -0.000 0.000 1.286 798 Y CB 0.833 39.273 38.460 -0.034 0.000 1.072 798 Y HN 0.049 nan 8.280 nan 0.000 0.517 799 G N 1.535 110.404 108.800 0.115 0.000 2.212 799 G HA2 -0.263 3.941 3.960 0.406 0.000 0.255 799 G HA3 -0.263 3.941 3.960 0.406 0.000 0.255 799 G C -0.187 174.762 174.900 0.081 0.000 1.062 799 G CA 0.363 45.514 45.100 0.086 0.000 0.815 799 G HN 0.493 nan 8.290 nan 0.000 0.497 800 I N -3.869 116.742 120.570 0.069 0.000 2.841 800 I HA 0.681 5.095 4.170 0.406 0.000 0.298 800 I C -1.283 174.762 176.117 -0.121 0.000 1.304 800 I CA -1.536 59.757 61.300 -0.011 0.000 1.019 800 I CB 2.283 40.210 38.000 -0.121 0.000 1.282 800 I HN -0.042 nan 8.210 nan 0.000 0.432 801 D N 6.700 127.066 120.400 -0.058 0.000 2.359 801 D HA 0.357 5.241 4.640 0.406 0.000 0.230 801 D C -1.597 174.574 176.300 -0.214 0.000 1.118 801 D CA -2.355 51.552 54.000 -0.154 0.000 0.844 801 D CB 1.838 42.750 40.800 0.185 0.000 1.059 801 D HN 0.435 nan 8.370 nan 0.000 0.493 802 P HA -0.076 nan 4.420 nan 0.000 0.228 802 P C 0.139 177.464 177.300 0.042 0.000 1.151 802 P CA 0.226 63.134 63.100 -0.320 0.000 0.770 802 P CB -0.062 31.453 31.700 -0.309 0.000 0.786 803 T N 0.507 115.096 114.554 0.058 0.000 2.905 803 T HA 0.280 4.873 4.350 0.406 0.000 0.299 803 T C 1.569 176.387 174.700 0.196 0.000 1.024 803 T CA 1.275 63.440 62.100 0.108 0.000 1.151 803 T CB -0.087 68.826 68.868 0.076 0.000 0.987 803 T HN 0.377 nan 8.240 nan 0.000 0.535 804 G N 2.299 111.185 108.800 0.144 0.000 2.284 804 G HA2 -0.266 3.938 3.960 0.406 0.000 0.247 804 G HA3 -0.266 3.938 3.960 0.406 0.000 0.247 804 G C 0.169 175.116 174.900 0.077 0.000 1.012 804 G CA -0.148 45.005 45.100 0.089 0.000 0.618 804 G HN 0.725 nan 8.290 nan 0.000 0.521 805 Y N 0.291 120.595 120.300 0.008 0.000 2.330 805 Y HA 0.560 5.354 4.550 0.406 0.000 0.341 805 Y C 1.325 177.237 175.900 0.021 0.000 1.278 805 Y CA -0.371 57.728 58.100 -0.000 0.000 1.453 805 Y CB 0.488 38.938 38.460 -0.016 0.000 1.342 805 Y HN 0.128 nan 8.280 nan 0.000 0.590 806 L N 3.001 124.311 121.223 0.145 0.000 2.317 806 L HA 0.402 4.986 4.340 0.406 0.000 0.281 806 L C -0.734 176.191 176.870 0.091 0.000 1.024 806 L CA -0.593 54.300 54.840 0.087 0.000 0.810 806 L CB 1.343 43.374 42.059 -0.047 0.000 1.240 806 L HN 0.473 nan 8.230 nan 0.000 0.427 807 I N 3.471 124.105 120.570 0.106 0.000 2.281 807 I HA 0.064 4.477 4.170 0.406 0.000 0.293 807 I C 1.111 177.271 176.117 0.072 0.000 1.085 807 I CA -0.290 61.038 61.300 0.047 0.000 1.257 807 I CB 0.969 38.945 38.000 -0.041 0.000 1.430 807 I HN 0.706 nan 8.210 nan 0.000 0.489 808 E N 4.681 124.904 120.200 0.039 0.000 2.015 808 E HA -0.120 4.473 4.350 0.406 0.000 0.191 808 E C -0.121 176.507 176.600 0.047 0.000 0.991 808 E CA 1.325 57.762 56.400 0.062 0.000 0.802 808 E CB 0.015 29.723 29.700 0.013 0.000 0.759 808 E HN 0.847 nan 8.360 nan 0.000 0.447 809 D N -1.897 118.497 120.400 -0.010 0.000 2.671 809 D HA 0.452 5.335 4.640 0.406 0.000 0.273 809 D C -0.898 175.358 176.300 -0.073 0.000 1.264 809 D CA -0.619 53.358 54.000 -0.039 0.000 0.788 809 D CB 0.935 41.719 40.800 -0.027 0.000 1.324 809 D HN -0.108 nan 8.370 nan 0.000 0.424 810 I N 0.337 120.854 120.570 -0.088 0.000 2.478 810 I HA 0.317 4.730 4.170 0.406 0.000 0.287 810 I C -0.836 175.235 176.117 -0.076 0.000 1.042 810 I CA -0.659 60.582 61.300 -0.097 0.000 1.067 810 I CB 1.785 39.703 38.000 -0.136 0.000 1.233 810 I HN 0.704 nan 8.210 nan 0.000 0.431 811 D N 5.371 125.733 120.400 -0.063 0.000 2.697 811 D HA -0.191 4.693 4.640 0.406 0.000 0.238 811 D C 1.144 177.418 176.300 -0.043 0.000 1.152 811 D CA 1.592 55.563 54.000 -0.049 0.000 0.666 811 D CB -0.665 40.107 40.800 -0.046 0.000 1.037 811 D HN 1.109 nan 8.370 nan 0.000 0.423 812 G N 0.306 109.081 108.800 -0.041 0.000 2.257 812 G HA2 -0.391 3.813 3.960 0.406 0.000 0.267 812 G HA3 -0.391 3.813 3.960 0.406 0.000 0.267 812 G C 0.182 175.061 174.900 -0.034 0.000 0.984 812 G CA 0.698 45.778 45.100 -0.033 0.000 0.626 812 G HN 0.785 nan 8.290 nan 0.000 0.540 813 E N 1.301 121.475 120.200 -0.044 0.000 2.167 813 E HA 0.513 5.107 4.350 0.406 0.000 0.284 813 E C 0.096 176.668 176.600 -0.048 0.000 1.016 813 E CA -0.310 56.062 56.400 -0.047 0.000 0.817 813 E CB 0.438 30.104 29.700 -0.057 0.000 1.080 813 E HN 0.085 nan 8.360 nan 0.000 0.397 814 T N 3.612 118.145 114.554 -0.035 0.000 2.888 814 T HA 0.201 4.795 4.350 0.406 0.000 0.301 814 T C -0.191 174.488 174.700 -0.035 0.000 1.001 814 T CA -0.268 61.818 62.100 -0.024 0.000 1.147 814 T CB 0.468 69.325 68.868 -0.018 0.000 0.931 814 T HN 0.391 nan 8.240 nan 0.000 0.541 815 V N 0.923 120.827 119.914 -0.016 0.000 2.864 815 V HA 1.080 5.443 4.120 0.406 0.000 0.314 815 V C 0.388 176.525 176.094 0.072 0.000 1.073 815 V CA -0.178 62.127 62.300 0.007 0.000 0.956 815 V CB 1.409 33.194 31.823 -0.064 0.000 1.023 815 V HN 1.144 nan 8.190 nan 0.000 0.435 816 G N 1.222 110.080 108.800 0.096 0.000 2.373 816 G HA2 0.513 4.716 3.960 0.406 0.000 0.250 816 G HA3 0.513 4.716 3.960 0.406 0.000 0.250 816 G C 0.641 175.374 174.900 -0.279 0.000 1.304 816 G CA -0.019 44.976 45.100 -0.176 0.000 0.948 816 G HN 1.654 nan 8.290 nan 0.000 0.474 817 A N -0.623 121.997 122.820 -0.332 0.000 1.954 817 A HA 0.131 4.694 4.320 0.406 0.000 0.222 817 A C 2.287 179.782 177.584 -0.149 0.000 1.199 817 A CA 3.290 55.182 52.037 -0.243 0.000 0.657 817 A CB -0.942 17.934 19.000 -0.206 0.000 0.823 817 A HN 2.203 nan 8.150 nan 0.000 0.463 818 G N -2.105 106.623 108.800 -0.121 0.000 3.605 818 G HA2 0.433 4.636 3.960 0.406 0.000 0.277 818 G HA3 0.433 4.636 3.960 0.406 0.000 0.277 818 G C -0.008 174.858 174.900 -0.057 0.000 1.093 818 G CA 0.818 45.871 45.100 -0.078 0.000 0.821 818 G HN 0.482 nan 8.290 nan 0.000 0.532 819 S N 0.466 116.143 115.700 -0.038 0.000 2.680 819 S HA 0.193 4.907 4.470 0.406 0.000 0.262 819 S C -0.834 173.784 174.600 0.030 0.000 1.138 819 S CA -0.804 57.382 58.200 -0.023 0.000 1.072 819 S CB 0.519 63.695 63.200 -0.040 0.000 1.097 819 S HN 0.219 nan 8.310 nan 0.000 0.468 820 N N 4.796 123.484 118.700 -0.021 0.000 2.411 820 N HA -0.006 4.977 4.740 0.406 0.000 0.282 820 N C 1.207 176.575 175.510 -0.237 0.000 1.322 820 N CA 0.252 53.277 53.050 -0.042 0.000 0.943 820 N CB 0.010 38.433 38.487 -0.106 0.000 1.266 820 N HN 0.830 nan 8.380 nan 0.000 0.486 821 I N 4.366 124.664 120.570 -0.452 0.000 2.361 821 I HA -0.311 4.103 4.170 0.406 0.000 0.251 821 I C 0.823 176.519 176.117 -0.701 0.000 1.133 821 I CA 1.243 62.070 61.300 -0.789 0.000 1.413 821 I CB 0.021 37.100 38.000 -1.535 0.000 1.073 821 I HN 0.498 nan 8.210 nan 0.000 0.424 822 Y N 0.658 120.765 120.300 -0.322 0.000 2.165 822 Y HA -0.279 4.514 4.550 0.406 0.000 0.286 822 Y C 2.730 178.384 175.900 -0.411 0.000 1.155 822 Y CA 1.866 59.836 58.100 -0.217 0.000 1.164 822 Y CB -0.823 37.588 38.460 -0.082 0.000 0.978 822 Y HN 0.169 nan 8.280 nan 0.000 0.513 823 R N 0.233 120.345 120.500 -0.647 0.000 2.066 823 R HA -0.113 4.471 4.340 0.406 0.000 0.232 823 R C 2.049 178.108 176.300 -0.401 0.000 1.131 823 R CA 1.598 57.103 56.100 -0.991 0.000 0.955 823 R CB -0.569 29.034 30.300 -1.161 0.000 0.851 823 R HN 0.183 nan 8.270 nan 0.000 0.432 824 V N 1.707 121.429 119.914 -0.320 0.000 2.287 824 V HA -0.284 4.080 4.120 0.406 0.000 0.248 824 V C 2.447 178.443 176.094 -0.163 0.000 1.053 824 V CA 1.924 64.097 62.300 -0.211 0.000 1.027 824 V CB -0.484 31.210 31.823 -0.215 0.000 0.646 824 V HN 0.351 nan 8.190 nan 0.000 0.447 825 L N -0.204 120.907 121.223 -0.186 0.000 2.083 825 L HA -0.189 4.394 4.340 0.406 0.000 0.209 825 L C 2.741 179.592 176.870 -0.030 0.000 1.083 825 L CA 1.759 56.538 54.840 -0.102 0.000 0.752 825 L CB -0.687 41.321 42.059 -0.086 0.000 0.899 825 L HN 0.372 nan 8.230 nan 0.000 0.433 826 S N 0.087 115.774 115.700 -0.022 0.000 2.374 826 S HA -0.255 4.459 4.470 0.406 0.000 0.227 826 S C 1.677 176.312 174.600 0.060 0.000 1.037 826 S CA 1.832 60.076 58.200 0.073 0.000 1.024 826 S CB -0.164 63.141 63.200 0.176 0.000 0.861 826 S HN 0.496 nan 8.310 nan 0.000 0.456 827 E N -0.207 120.003 120.200 0.015 0.000 2.511 827 E HA 0.059 4.652 4.350 0.406 0.000 0.196 827 E C 1.369 177.972 176.600 0.005 0.000 1.066 827 E CA 0.367 56.777 56.400 0.018 0.000 0.871 827 E CB 0.247 29.947 29.700 -0.000 0.000 0.863 827 E HN 0.335 nan 8.360 nan 0.000 0.520 828 K N -0.058 120.341 120.400 -0.002 0.000 2.402 828 K HA 0.255 4.818 4.320 0.406 0.000 0.204 828 K C 0.337 176.944 176.600 0.012 0.000 1.056 828 K CA -0.080 56.205 56.287 -0.003 0.000 1.069 828 K CB 0.962 33.449 32.500 -0.022 0.000 0.888 828 K HN -0.012 nan 8.250 nan 0.000 0.546 829 A N 0.980 123.815 122.820 0.025 0.000 2.565 829 A HA 0.349 4.912 4.320 0.406 0.000 0.237 829 A C 1.271 178.874 177.584 0.031 0.000 1.053 829 A CA 1.364 53.422 52.037 0.036 0.000 0.755 829 A CB -0.449 18.583 19.000 0.052 0.000 0.980 829 A HN 0.574 nan 8.150 nan 0.000 0.506 830 G N 1.258 110.077 108.800 0.031 0.000 2.176 830 G HA2 -0.066 4.138 3.960 0.406 0.000 0.253 830 G HA3 -0.066 4.138 3.960 0.406 0.000 0.253 830 G C 0.500 175.414 174.900 0.023 0.000 0.979 830 G CA 1.060 46.176 45.100 0.027 0.000 0.641 830 G HN 2.517 nan 8.290 nan 0.000 0.530 831 T N -2.926 111.641 114.554 0.021 0.000 2.696 831 T HA 0.764 5.357 4.350 0.406 0.000 0.291 831 T C -0.365 174.347 174.700 0.019 0.000 1.095 831 T CA 0.274 62.385 62.100 0.018 0.000 1.026 831 T CB 2.012 70.887 68.868 0.012 0.000 1.390 831 T HN 0.598 nan 8.240 nan 0.000 0.513 832 S N 0.125 115.836 115.700 0.018 0.000 2.475 832 S HA 0.814 5.527 4.470 0.406 0.000 0.298 832 S C -0.417 174.185 174.600 0.003 0.000 1.119 832 S CA -0.651 57.561 58.200 0.020 0.000 1.085 832 S CB 1.026 64.246 63.200 0.034 0.000 1.028 832 S HN 1.092 nan 8.310 nan 0.000 0.489 833 A N 2.490 125.304 122.820 -0.010 0.000 2.401 833 A HA 0.717 5.281 4.320 0.406 0.000 0.310 833 A C -0.320 177.236 177.584 -0.047 0.000 1.075 833 A CA -0.893 51.127 52.037 -0.029 0.000 0.746 833 A CB 0.951 19.927 19.000 -0.039 0.000 1.277 833 A HN 0.815 nan 8.150 nan 0.000 0.425 834 R N 2.216 122.685 120.500 -0.052 0.000 2.316 834 R HA 0.378 4.961 4.340 0.406 0.000 0.314 834 R C -0.964 175.285 176.300 -0.085 0.000 1.069 834 R CA -0.070 55.987 56.100 -0.071 0.000 0.959 834 R CB 0.061 30.327 30.300 -0.057 0.000 0.987 834 R HN 0.552 nan 8.270 nan 0.000 0.446 835 I N 4.406 124.909 120.570 -0.111 0.000 2.404 835 I HA 0.316 4.729 4.170 0.406 0.000 0.293 835 I C 0.001 176.053 176.117 -0.108 0.000 0.992 835 I CA -0.972 60.262 61.300 -0.110 0.000 1.149 835 I CB 1.454 39.380 38.000 -0.122 0.000 1.315 835 I HN 0.579 nan 8.210 nan 0.000 0.446 836 R N 6.267 126.720 120.500 -0.078 0.000 2.255 836 R HA 0.683 5.267 4.340 0.406 0.000 0.326 836 R C -1.453 174.825 176.300 -0.037 0.000 0.986 836 R CA -0.163 55.902 56.100 -0.058 0.000 0.847 836 R CB 0.580 30.857 30.300 -0.038 0.000 1.111 836 R HN 0.608 nan 8.270 nan 0.000 0.452 837 L N 2.162 123.371 121.223 -0.022 0.000 2.333 837 L HA 0.618 5.202 4.340 0.406 0.000 0.269 837 L C -0.442 176.504 176.870 0.127 0.000 1.010 837 L CA -0.884 53.986 54.840 0.050 0.000 0.818 837 L CB 2.538 44.599 42.059 0.003 0.000 1.306 837 L HN 0.613 nan 8.230 nan 0.000 0.430 838 S N -0.021 115.782 115.700 0.173 0.000 2.614 838 S HA 0.723 5.437 4.470 0.406 0.000 0.288 838 S C 0.006 174.568 174.600 -0.063 0.000 1.137 838 S CA -0.549 57.691 58.200 0.068 0.000 0.992 838 S CB 1.928 65.101 63.200 -0.046 0.000 1.026 838 S HN 0.840 nan 8.310 nan 0.000 0.486 839 G N 1.484 110.108 108.800 -0.293 0.000 3.135 839 G HA2 0.547 4.750 3.960 0.406 0.000 0.159 839 G HA3 0.547 4.750 3.960 0.406 0.000 0.159 839 G C -0.555 174.105 174.900 -0.399 0.000 1.244 839 G CA -0.706 43.910 45.100 -0.807 0.000 0.965 839 G HN 0.532 nan 8.290 nan 0.000 0.599 840 K N 0.913 121.090 120.400 -0.373 0.000 2.430 840 K HA 0.441 5.004 4.320 0.406 0.000 0.280 840 K C 0.924 177.448 176.600 -0.127 0.000 1.063 840 K CA 1.324 57.495 56.287 -0.193 0.000 1.071 840 K CB -0.426 31.987 32.500 -0.145 0.000 0.899 840 K HN 1.561 nan 8.250 nan 0.000 0.473 841 G N 3.611 112.352 108.800 -0.098 0.000 2.552 841 G HA2 -0.293 3.911 3.960 0.406 0.000 0.265 841 G HA3 -0.293 3.911 3.960 0.406 0.000 0.265 841 G C 0.647 175.510 174.900 -0.062 0.000 1.234 841 G CA -0.169 44.892 45.100 -0.067 0.000 0.944 841 G HN 1.078 nan 8.290 nan 0.000 0.568 842 G N -0.064 108.711 108.800 -0.041 0.000 3.262 842 G HA2 0.330 4.533 3.960 0.406 0.000 0.222 842 G HA3 0.330 4.533 3.960 0.406 0.000 0.222 842 G C 0.350 175.238 174.900 -0.020 0.000 1.269 842 G CA 1.036 46.118 45.100 -0.030 0.000 1.032 842 G HN 0.747 nan 8.290 nan 0.000 0.502 843 D N 1.203 121.585 120.400 -0.030 0.000 2.416 843 D HA 0.153 5.037 4.640 0.406 0.000 0.240 843 D C 0.241 176.569 176.300 0.046 0.000 1.250 843 D CA 0.185 54.189 54.000 0.007 0.000 0.967 843 D CB 0.059 40.846 40.800 -0.022 0.000 1.059 843 D HN 0.215 nan 8.370 nan 0.000 0.512 844 K N 3.748 124.174 120.400 0.043 0.000 2.244 844 K HA 0.519 5.082 4.320 0.406 0.000 0.260 844 K C -0.046 176.578 176.600 0.039 0.000 0.951 844 K CA -1.013 55.300 56.287 0.043 0.000 0.826 844 K CB 2.071 34.575 32.500 0.008 0.000 1.108 844 K HN 0.072 nan 8.250 nan 0.000 0.433 845 R N 1.590 122.109 120.500 0.031 0.000 2.740 845 R HA 0.326 4.909 4.340 0.406 0.000 0.282 845 R C -1.037 175.219 176.300 -0.072 0.000 0.969 845 R CA -0.875 55.207 56.100 -0.030 0.000 0.918 845 R CB 1.349 31.607 30.300 -0.070 0.000 1.175 845 R HN 0.629 nan 8.270 nan 0.000 0.464 846 D N 3.126 123.465 120.400 -0.100 0.000 2.389 846 D HA 0.356 5.239 4.640 0.406 0.000 0.256 846 D C -0.967 175.218 176.300 -0.192 0.000 1.239 846 D CA -0.338 53.592 54.000 -0.117 0.000 0.925 846 D CB 0.430 41.188 40.800 -0.071 0.000 1.145 846 D HN 0.378 nan 8.370 nan 0.000 0.542 847 L N 1.204 122.257 121.223 -0.283 0.000 2.341 847 L HA 0.593 5.176 4.340 0.406 0.000 0.267 847 L C 0.226 176.900 176.870 -0.326 0.000 1.009 847 L CA -1.068 53.480 54.840 -0.488 0.000 0.819 847 L CB 2.063 43.573 42.059 -0.916 0.000 1.323 847 L HN 0.084 nan 8.230 nan 0.000 0.425 848 M N 3.460 122.906 119.600 -0.256 0.000 2.069 848 M HA 0.394 5.117 4.480 0.406 0.000 0.349 848 M C -0.707 175.592 176.300 -0.002 0.000 1.194 848 M CA -0.326 54.937 55.300 -0.062 0.000 1.081 848 M CB 0.696 33.319 32.600 0.039 0.000 1.500 848 M HN 0.322 nan 8.290 nan 0.000 0.438 849 I N 3.055 123.609 120.570 -0.026 0.000 2.359 849 I HA 0.239 4.653 4.170 0.406 0.000 0.294 849 I C 0.180 176.328 176.117 0.051 0.000 0.987 849 I CA -0.699 60.620 61.300 0.032 0.000 1.225 849 I CB 1.303 39.290 38.000 -0.022 0.000 1.366 849 I HN 0.437 nan 8.210 nan 0.000 0.466 850 D N 6.537 126.987 120.400 0.083 0.000 2.390 850 D HA 0.265 5.149 4.640 0.406 0.000 0.249 850 D C 0.220 176.551 176.300 0.052 0.000 1.144 850 D CA 0.255 54.293 54.000 0.064 0.000 0.880 850 D CB 1.380 42.223 40.800 0.071 0.000 1.182 850 D HN 0.254 nan 8.370 nan 0.000 0.451 851 I N 3.666 124.259 120.570 0.040 0.000 2.330 851 I HA 0.143 4.556 4.170 0.406 0.000 0.286 851 I C 0.476 176.619 176.117 0.043 0.000 1.025 851 I CA -0.618 60.705 61.300 0.039 0.000 1.197 851 I CB 0.638 38.651 38.000 0.022 0.000 1.358 851 I HN 0.101 nan 8.210 nan 0.000 0.467 852 L N 5.567 126.820 121.223 0.050 0.000 2.473 852 L HA 0.113 4.697 4.340 0.406 0.000 0.268 852 L C 0.759 177.657 176.870 0.047 0.000 1.215 852 L CA 0.017 54.886 54.840 0.047 0.000 0.823 852 L CB 0.401 42.489 42.059 0.048 0.000 1.099 852 L HN 0.549 nan 8.230 nan 0.000 0.483 853 D N -0.933 119.492 120.400 0.042 0.000 2.305 853 D HA 0.007 4.890 4.640 0.406 0.000 0.206 853 D C -0.183 176.141 176.300 0.039 0.000 0.974 853 D CA 0.718 54.745 54.000 0.044 0.000 0.871 853 D CB 0.294 41.118 40.800 0.039 0.000 0.947 853 D HN 0.521 nan 8.370 nan 0.000 0.516 854 D N -1.030 119.388 120.400 0.030 0.000 2.599 854 D HA 0.241 5.124 4.640 0.406 0.000 0.252 854 D C -1.469 174.834 176.300 0.005 0.000 1.232 854 D CA -0.724 53.283 54.000 0.012 0.000 0.819 854 D CB 1.488 42.294 40.800 0.009 0.000 1.401 854 D HN -0.112 nan 8.370 nan 0.000 0.429 855 D N 0.616 120.996 120.400 -0.033 0.000 2.640 855 D HA 0.043 4.927 4.640 0.406 0.000 0.282 855 D C 1.171 177.402 176.300 -0.115 0.000 1.558 855 D CA -0.272 53.698 54.000 -0.051 0.000 0.820 855 D CB -0.115 40.643 40.800 -0.070 0.000 1.243 855 D HN 0.277 nan 8.370 nan 0.000 0.456 856 R N 0.241 120.680 120.500 -0.102 0.000 2.083 856 R HA -0.077 4.506 4.340 0.406 0.000 0.237 856 R C 1.625 177.861 176.300 -0.106 0.000 1.137 856 R CA 1.533 57.539 56.100 -0.156 0.000 0.951 856 R CB -1.002 29.218 30.300 -0.134 0.000 0.851 856 R HN 0.159 nan 8.270 nan 0.000 0.434 857 F N 0.739 120.624 119.950 -0.109 0.000 2.126 857 F HA -0.100 4.671 4.527 0.407 0.000 0.299 857 F C 1.804 177.596 175.800 -0.013 0.000 1.096 857 F CA 1.610 59.591 58.000 -0.032 0.000 1.255 857 F CB -0.239 38.748 39.000 -0.021 0.000 0.997 857 F HN 0.049 nan 8.300 nan 0.000 0.479 858 I N -0.056 120.421 120.570 -0.156 0.000 2.179 858 I HA -0.320 4.094 4.170 0.406 0.000 0.242 858 I C 2.526 178.486 176.117 -0.262 0.000 1.088 858 I CA 1.460 62.635 61.300 -0.208 0.000 1.357 858 I CB -0.552 37.407 38.000 -0.070 0.000 1.051 858 I HN 0.060 nan 8.210 nan 0.000 0.409 859 R N -0.254 120.051 120.500 -0.325 0.000 2.081 859 R HA -0.230 4.354 4.340 0.406 0.000 0.235 859 R C 2.413 178.545 176.300 -0.281 0.000 1.131 859 R CA 1.864 57.718 56.100 -0.410 0.000 0.960 859 R CB -0.672 29.276 30.300 -0.586 0.000 0.856 859 R HN 0.323 nan 8.270 nan 0.000 0.436 860 Y N 1.743 121.767 120.300 -0.460 0.000 2.070 860 Y HA -0.257 4.536 4.550 0.406 0.000 0.280 860 Y C 2.182 177.924 175.900 -0.264 0.000 1.148 860 Y CA 1.573 59.381 58.100 -0.486 0.000 1.125 860 Y CB -0.097 38.041 38.460 -0.536 0.000 0.975 860 Y HN -0.148 nan 8.280 nan 0.000 0.492 861 R N -0.154 119.945 120.500 -0.668 0.000 2.120 861 R HA -0.141 4.442 4.340 0.406 0.000 0.234 861 R C 2.652 178.733 176.300 -0.364 0.000 1.123 861 R CA 1.154 56.887 56.100 -0.611 0.000 0.975 861 R CB -1.173 28.774 30.300 -0.589 0.000 0.866 861 R HN 0.402 nan 8.270 nan 0.000 0.446 862 S N 0.134 115.686 115.700 -0.247 0.000 2.356 862 S HA -0.181 4.533 4.470 0.406 0.000 0.223 862 S C 1.662 176.213 174.600 -0.081 0.000 1.032 862 S CA 1.228 59.359 58.200 -0.116 0.000 1.005 862 S CB -0.297 62.955 63.200 0.087 0.000 0.867 862 S HN 0.550 nan 8.310 nan 0.000 0.449 863 W N 1.890 123.036 121.300 -0.256 0.000 2.335 863 W HA -0.153 4.751 4.660 0.406 0.000 0.311 863 W C 1.972 178.343 176.519 -0.247 0.000 1.213 863 W CA 1.803 59.013 57.345 -0.226 0.000 1.274 863 W CB -0.734 28.574 29.460 -0.253 0.000 1.148 863 W HN 0.115 nan 8.180 nan 0.000 0.498 864 V N 1.117 120.917 119.914 -0.190 0.000 2.343 864 V HA -0.289 4.075 4.120 0.406 0.000 0.247 864 V C 2.342 178.283 176.094 -0.256 0.000 1.051 864 V CA 2.302 64.452 62.300 -0.249 0.000 1.036 864 V CB -0.913 30.777 31.823 -0.222 0.000 0.654 864 V HN 0.137 nan 8.190 nan 0.000 0.451 865 E N 0.200 120.258 120.200 -0.237 0.000 2.208 865 E HA -0.083 4.511 4.350 0.406 0.000 0.193 865 E C 2.280 178.729 176.600 -0.251 0.000 0.988 865 E CA 1.256 57.530 56.400 -0.210 0.000 0.828 865 E CB -0.372 29.215 29.700 -0.189 0.000 0.763 865 E HN 0.594 nan 8.360 nan 0.000 0.478 866 A N 1.633 124.279 122.820 -0.290 0.000 1.855 866 A HA -0.168 4.395 4.320 0.406 0.000 0.215 866 A C 1.978 179.331 177.584 -0.386 0.000 1.191 866 A CA 1.513 53.379 52.037 -0.285 0.000 0.613 866 A CB -0.782 18.059 19.000 -0.265 0.000 0.829 866 A HN 0.259 nan 8.150 nan 0.000 0.442 867 N N -1.048 117.277 118.700 -0.626 0.000 2.223 867 N HA -0.162 4.822 4.740 0.406 0.000 0.185 867 N C 2.047 177.056 175.510 -0.834 0.000 1.016 867 N CA 1.014 53.573 53.050 -0.819 0.000 0.863 867 N CB -0.139 37.584 38.487 -1.272 0.000 0.983 867 N HN 0.479 nan 8.380 nan 0.000 0.429 868 R N 1.549 121.643 120.500 -0.677 0.000 2.075 868 R HA -0.001 4.583 4.340 0.406 0.000 0.232 868 R C 1.962 177.892 176.300 -0.616 0.000 1.126 868 R CA 1.040 56.795 56.100 -0.574 0.000 0.963 868 R CB 0.064 30.202 30.300 -0.269 0.000 0.858 868 R HN 0.197 nan 8.270 nan 0.000 0.435 869 R N -0.834 119.451 120.500 -0.358 0.000 2.092 869 R HA -0.177 4.407 4.340 0.406 0.000 0.231 869 R C 2.177 178.378 176.300 -0.165 0.000 1.119 869 R CA 1.644 57.619 56.100 -0.208 0.000 0.970 869 R CB -0.460 29.780 30.300 -0.101 0.000 0.864 869 R HN 0.284 nan 8.270 nan 0.000 0.440 870 Y N 1.209 121.326 120.300 -0.304 0.000 2.114 870 Y HA -0.258 4.536 4.550 0.406 0.000 0.284 870 Y C 2.143 177.902 175.900 -0.236 0.000 1.143 870 Y CA 1.492 59.441 58.100 -0.251 0.000 1.135 870 Y CB -0.402 37.880 38.460 -0.295 0.000 0.980 870 Y HN -0.247 nan 8.280 nan 0.000 0.499 871 V N 0.212 119.951 119.914 -0.292 0.000 2.332 871 V HA -0.355 4.008 4.120 0.406 0.000 0.248 871 V C 2.346 178.317 176.094 -0.204 0.000 1.055 871 V CA 2.355 64.485 62.300 -0.283 0.000 1.038 871 V CB -0.865 30.807 31.823 -0.251 0.000 0.651 871 V HN 0.498 nan 8.190 nan 0.000 0.450 872 H N 0.178 119.103 119.070 -0.242 0.000 2.387 872 H HA -0.106 4.693 4.556 0.406 0.000 0.299 872 H C 2.372 177.589 175.328 -0.184 0.000 1.090 872 H CA 1.680 57.599 56.048 -0.215 0.000 1.332 872 H CB -0.136 29.532 29.762 -0.158 0.000 1.386 872 H HN 0.562 nan 8.280 nan 0.000 0.516 873 E N 0.028 120.171 120.200 -0.094 0.000 2.112 873 E HA -0.014 4.580 4.350 0.406 0.000 0.190 873 E C 2.304 178.781 176.600 -0.205 0.000 0.979 873 E CA 0.086 56.404 56.400 -0.138 0.000 0.814 873 E CB 0.237 29.848 29.700 -0.148 0.000 0.762 873 E HN 0.182 nan 8.360 nan 0.000 0.460 874 R N 0.496 120.788 120.500 -0.347 0.000 2.148 874 R HA -0.039 4.545 4.340 0.406 0.000 0.223 874 R C 1.831 178.014 176.300 -0.194 0.000 1.088 874 R CA 1.408 57.305 56.100 -0.339 0.000 0.985 874 R CB 0.115 30.079 30.300 -0.560 0.000 0.880 874 R HN 0.143 nan 8.270 nan 0.000 0.451 875 S N -0.204 115.404 115.700 -0.152 0.000 2.556 875 S HA 0.120 4.833 4.470 0.406 0.000 0.216 875 S C 0.188 174.752 174.600 -0.060 0.000 0.970 875 S CA -0.299 57.847 58.200 -0.090 0.000 0.912 875 S CB 0.445 63.604 63.200 -0.070 0.000 0.790 875 S HN 0.082 nan 8.310 nan 0.000 0.504 876 K N 0.739 121.097 120.400 -0.069 0.000 3.117 876 K HA -0.164 4.399 4.320 0.406 0.000 0.269 876 K C 0.875 177.462 176.600 -0.022 0.000 1.098 876 K CA 0.680 56.941 56.287 -0.045 0.000 0.785 876 K CB -2.478 30.000 32.500 -0.036 0.000 1.242 876 K HN 1.286 nan 8.250 nan 0.000 0.491 877 G N -0.690 108.095 108.800 -0.024 0.000 2.143 877 G HA2 -0.379 3.824 3.960 0.406 0.000 0.248 877 G HA3 -0.379 3.824 3.960 0.406 0.000 0.248 877 G C 0.606 175.560 174.900 0.089 0.000 0.991 877 G CA 1.571 46.670 45.100 -0.001 0.000 0.689 877 G HN 0.788 nan 8.290 nan 0.000 0.522 878 T N -2.216 112.368 114.554 0.051 0.000 3.054 878 T HA 0.642 5.236 4.350 0.406 0.000 0.255 878 T C 0.723 175.490 174.700 0.110 0.000 1.035 878 T CA 0.389 62.557 62.100 0.115 0.000 0.941 878 T CB 0.387 69.287 68.868 0.053 0.000 1.026 878 T HN 0.525 nan 8.240 nan 0.000 0.533 879 I N 1.293 121.830 120.570 -0.055 0.000 2.533 879 I HA 0.617 5.030 4.170 0.406 0.000 0.290 879 I C 0.575 176.471 176.117 -0.368 0.000 1.056 879 I CA -1.433 59.808 61.300 -0.099 0.000 1.057 879 I CB 2.213 40.195 38.000 -0.030 0.000 1.240 879 I HN 0.202 nan 8.210 nan 0.000 0.423 880 G N 3.764 112.393 108.800 -0.285 0.000 2.522 880 G HA2 0.497 4.701 3.960 0.406 0.000 0.304 880 G HA3 0.497 4.701 3.960 0.406 0.000 0.304 880 G C -1.916 173.014 174.900 0.050 0.000 1.210 880 G CA -0.172 44.783 45.100 -0.243 0.000 0.960 880 G HN 0.547 nan 8.290 nan 0.000 0.497 881 Y N -0.670 119.585 120.300 -0.076 0.000 2.479 881 Y HA 0.650 5.444 4.550 0.406 0.000 0.338 881 Y C -1.066 174.838 175.900 0.006 0.000 1.055 881 Y CA -1.049 57.020 58.100 -0.053 0.000 1.023 881 Y CB 1.639 40.006 38.460 -0.156 0.000 1.287 881 Y HN 0.446 nan 8.280 nan 0.000 0.447 882 I N 5.955 126.164 120.570 -0.601 0.000 2.619 882 I HA 0.304 4.717 4.170 0.406 0.000 0.292 882 I C -1.389 174.418 176.117 -0.517 0.000 1.100 882 I CA -0.827 60.243 61.300 -0.383 0.000 1.043 882 I CB 2.338 40.279 38.000 -0.097 0.000 1.239 882 I HN 0.654 nan 8.210 nan 0.000 0.420 883 H N 6.632 125.555 119.070 -0.246 0.000 2.572 883 H HA 0.594 5.393 4.556 0.406 0.000 0.359 883 H C -1.577 173.864 175.328 0.188 0.000 1.134 883 H CA -0.637 55.420 56.048 0.014 0.000 1.187 883 H CB 2.289 32.247 29.762 0.326 0.000 1.597 883 H HN 0.470 nan 8.280 nan 0.000 0.524 884 I N 7.821 127.993 120.570 -0.665 0.000 2.420 884 I HA 0.184 4.598 4.170 0.406 0.000 0.282 884 I C -1.690 174.206 176.117 -0.369 0.000 1.019 884 I CA -2.057 59.041 61.300 -0.336 0.000 1.130 884 I CB 2.231 40.019 38.000 -0.355 0.000 1.262 884 I HN 0.453 nan 8.210 nan 0.000 0.454 885 P HA -0.091 nan 4.420 nan 0.000 0.217 885 P C -0.298 177.033 177.300 0.051 0.000 1.151 885 P CA 1.477 64.694 63.100 0.194 0.000 0.828 885 P CB 0.165 31.864 31.700 -0.001 0.000 0.788 886 D N -2.971 117.421 120.400 -0.014 0.000 2.779 886 D HA 0.186 5.070 4.640 0.406 0.000 0.331 886 D C -0.144 176.105 176.300 -0.085 0.000 1.331 886 D CA -0.597 53.392 54.000 -0.017 0.000 0.866 886 D CB -0.260 40.580 40.800 0.066 0.000 1.409 886 D HN -0.341 nan 8.370 nan 0.000 0.486 887 M N 0.636 120.188 119.600 -0.081 0.000 2.771 887 M HA 0.473 5.197 4.480 0.406 0.000 0.341 887 M C 0.469 176.602 176.300 -0.278 0.000 1.226 887 M CA -0.311 54.873 55.300 -0.195 0.000 0.955 887 M CB 0.052 32.553 32.600 -0.164 0.000 1.318 887 M HN 0.605 nan 8.290 nan 0.000 0.514 888 G N -0.078 108.614 108.800 -0.180 0.000 3.039 888 G HA2 0.474 4.678 3.960 0.406 0.000 0.159 888 G HA3 0.474 4.678 3.960 0.406 0.000 0.159 888 G C 0.863 175.485 174.900 -0.464 0.000 1.284 888 G CA -0.282 44.592 45.100 -0.376 0.000 0.996 888 G HN 0.124 nan 8.290 nan 0.000 0.592 889 M N -0.212 118.986 119.600 -0.670 0.000 2.200 889 M HA 0.064 4.787 4.480 0.406 0.000 0.265 889 M C 2.472 178.841 176.300 0.115 0.000 1.066 889 M CA 1.135 56.285 55.300 -0.250 0.000 1.127 889 M CB -1.166 31.290 32.600 -0.241 0.000 1.379 889 M HN 0.613 nan 8.290 nan 0.000 0.420 890 M N 0.424 120.194 119.600 0.283 0.000 2.149 890 M HA -0.101 4.623 4.480 0.406 0.000 0.261 890 M C 1.933 178.331 176.300 0.162 0.000 1.064 890 M CA 2.110 57.568 55.300 0.263 0.000 1.102 890 M CB -0.530 32.095 32.600 0.042 0.000 1.369 890 M HN 0.252 nan 8.290 nan 0.000 0.408 891 G N 0.463 109.302 108.800 0.066 0.000 2.408 891 G HA2 -0.181 4.022 3.960 0.406 0.000 0.217 891 G HA3 -0.181 4.022 3.960 0.406 0.000 0.217 891 G C 1.290 176.209 174.900 0.032 0.000 1.150 891 G CA 0.669 45.776 45.100 0.013 0.000 0.776 891 G HN 0.404 nan 8.290 nan 0.000 0.542 892 L N 1.032 122.264 121.223 0.015 0.000 2.093 892 L HA 0.030 4.613 4.340 0.406 0.000 0.208 892 L C 2.462 179.480 176.870 0.246 0.000 1.085 892 L CA 1.230 56.123 54.840 0.089 0.000 0.755 892 L CB -0.598 41.501 42.059 0.067 0.000 0.904 892 L HN 0.102 nan 8.230 nan 0.000 0.435 893 N N -0.484 118.349 118.700 0.222 0.000 2.058 893 N HA -0.158 4.825 4.740 0.406 0.000 0.191 893 N C 1.703 177.360 175.510 0.245 0.000 1.037 893 N CA 1.254 54.447 53.050 0.240 0.000 0.848 893 N CB -0.154 38.458 38.487 0.209 0.000 1.021 893 N HN 0.303 nan 8.380 nan 0.000 0.422 894 E N 0.490 120.842 120.200 0.253 0.000 2.047 894 E HA -0.126 4.468 4.350 0.406 0.000 0.191 894 E C 1.891 178.594 176.600 0.172 0.000 0.987 894 E CA 0.386 56.945 56.400 0.266 0.000 0.799 894 E CB -0.752 29.174 29.700 0.376 0.000 0.752 894 E HN 0.388 nan 8.360 nan 0.000 0.449 895 F N 0.825 120.774 119.950 -0.002 0.000 2.043 895 F HA -0.307 4.463 4.527 0.406 0.000 0.297 895 F C 2.248 178.014 175.800 -0.057 0.000 1.121 895 F CA 1.720 59.639 58.000 -0.135 0.000 1.199 895 F CB -0.483 38.287 39.000 -0.383 0.000 0.968 895 F HN -0.008 nan 8.300 nan 0.000 0.478 896 Y N -0.047 120.242 120.300 -0.020 0.000 2.293 896 Y HA -0.190 4.603 4.550 0.406 0.000 0.291 896 Y C 2.674 178.577 175.900 0.005 0.000 1.137 896 Y CA 1.388 59.470 58.100 -0.030 0.000 1.202 896 Y CB -0.554 37.959 38.460 0.088 0.000 0.990 896 Y HN 0.040 nan 8.280 nan 0.000 0.537 897 R N 0.116 120.720 120.500 0.174 0.000 2.117 897 R HA -0.214 4.369 4.340 0.406 0.000 0.243 897 R C 1.336 177.685 176.300 0.081 0.000 1.143 897 R CA 1.715 57.893 56.100 0.130 0.000 0.968 897 R CB -0.233 30.153 30.300 0.144 0.000 0.863 897 R HN 0.305 nan 8.270 nan 0.000 0.444 898 L N -1.388 119.858 121.223 0.038 0.000 2.388 898 L HA 0.092 4.676 4.340 0.406 0.000 0.209 898 L C 1.737 178.595 176.870 -0.020 0.000 1.061 898 L CA 0.565 55.416 54.840 0.019 0.000 0.834 898 L CB -0.543 41.528 42.059 0.019 0.000 1.029 898 L HN 0.061 nan 8.230 nan 0.000 0.473 899 F N 1.795 121.555 119.950 -0.317 0.000 2.115 899 F HA -0.290 4.481 4.527 0.406 0.000 0.300 899 F C 2.236 177.973 175.800 -0.104 0.000 1.092 899 F CA 2.181 59.962 58.000 -0.365 0.000 1.245 899 F CB -0.289 38.219 39.000 -0.820 0.000 0.995 899 F HN 0.177 nan 8.300 nan 0.000 0.481 900 I N -1.905 118.632 120.570 -0.055 0.000 3.083 900 I HA -0.143 4.270 4.170 0.406 0.000 0.273 900 I C 0.798 176.837 176.117 -0.129 0.000 1.297 900 I CA 1.306 62.544 61.300 -0.104 0.000 1.452 900 I CB -0.560 37.466 38.000 0.044 0.000 1.078 900 I HN 0.165 nan 8.210 nan 0.000 0.484 901 N N 0.476 119.121 118.700 -0.091 0.000 2.168 901 N HA 0.074 5.057 4.740 0.406 0.000 0.216 901 N C 0.873 176.425 175.510 0.069 0.000 1.259 901 N CA 0.180 53.218 53.050 -0.020 0.000 0.902 901 N CB 0.540 39.057 38.487 0.051 0.000 1.079 901 N HN 0.423 nan 8.380 nan 0.000 0.507 902 E N 0.115 120.346 120.200 0.051 0.000 2.526 902 E HA 0.132 4.726 4.350 0.406 0.000 0.208 902 E C 1.010 177.715 176.600 0.174 0.000 0.997 902 E CA 0.188 56.749 56.400 0.268 0.000 0.961 902 E CB 0.495 30.306 29.700 0.186 0.000 1.030 902 E HN 0.214 nan 8.360 nan 0.000 0.483 903 S N -0.319 115.290 115.700 -0.151 0.000 2.527 903 S HA 0.086 4.800 4.470 0.406 0.000 0.222 903 S C 1.558 176.114 174.600 -0.074 0.000 0.985 903 S CA 0.046 58.122 58.200 -0.207 0.000 0.921 903 S CB 0.125 62.868 63.200 -0.761 0.000 0.772 903 S HN -0.115 nan 8.310 nan 0.000 0.529 904 S N 1.078 116.714 115.700 -0.106 0.000 2.537 904 S HA 0.434 5.147 4.470 0.406 0.000 0.246 904 S C -0.779 173.699 174.600 -0.203 0.000 1.036 904 S CA -0.682 57.435 58.200 -0.138 0.000 1.041 904 S CB -0.177 62.914 63.200 -0.182 0.000 0.799 904 S HN 0.513 nan 8.310 nan 0.000 0.456 905 Y N 1.503 121.798 120.300 -0.008 0.000 2.458 905 Y HA 0.255 5.049 4.550 0.406 0.000 0.322 905 Y C 1.871 177.783 175.900 0.021 0.000 1.259 905 Y CA -0.654 57.446 58.100 0.001 0.000 1.302 905 Y CB 0.493 38.962 38.460 0.015 0.000 1.314 905 Y HN 0.037 nan 8.280 nan 0.000 0.509 906 Q N 0.596 120.515 119.800 0.198 0.000 2.135 906 Q HA -0.038 4.545 4.340 0.406 0.000 0.204 906 Q C 0.450 176.526 176.000 0.127 0.000 0.981 906 Q CA 1.310 57.186 55.803 0.121 0.000 0.856 906 Q CB -0.058 28.735 28.738 0.091 0.000 0.902 906 Q HN 0.837 nan 8.270 nan 0.000 0.425 907 G N -0.328 108.564 108.800 0.154 0.000 2.605 907 G HA2 0.561 4.764 3.960 0.406 0.000 0.296 907 G HA3 0.561 4.764 3.960 0.406 0.000 0.296 907 G C -2.051 172.939 174.900 0.150 0.000 1.304 907 G CA -0.550 44.628 45.100 0.129 0.000 0.941 907 G HN 0.033 nan 8.290 nan 0.000 0.475 908 L N 0.288 121.600 121.223 0.148 0.000 2.464 908 L HA 0.695 5.278 4.340 0.406 0.000 0.266 908 L C -1.202 175.762 176.870 0.158 0.000 0.965 908 L CA -0.693 54.243 54.840 0.159 0.000 0.833 908 L CB 1.808 43.985 42.059 0.197 0.000 1.296 908 L HN 0.475 nan 8.230 nan 0.000 0.405 909 I N 5.337 125.992 120.570 0.140 0.000 2.354 909 I HA 0.439 4.852 4.170 0.406 0.000 0.292 909 I C -0.681 175.467 176.117 0.051 0.000 0.989 909 I CA -0.899 60.482 61.300 0.136 0.000 1.188 909 I CB 1.882 40.015 38.000 0.222 0.000 1.342 909 I HN 0.290 nan 8.210 nan 0.000 0.457 910 V N 5.278 125.222 119.914 0.051 0.000 2.275 910 V HA 0.171 4.534 4.120 0.406 0.000 0.272 910 V C -0.281 175.795 176.094 -0.031 0.000 1.028 910 V CA -0.489 61.821 62.300 0.016 0.000 0.810 910 V CB 1.221 33.134 31.823 0.151 0.000 1.043 910 V HN 0.606 nan 8.190 nan 0.000 0.453 911 D N 4.011 124.363 120.400 -0.080 0.000 2.316 911 D HA 0.225 5.109 4.640 0.406 0.000 0.245 911 D C 0.578 176.868 176.300 -0.016 0.000 1.171 911 D CA -0.081 53.968 54.000 0.081 0.000 0.856 911 D CB 1.862 42.849 40.800 0.311 0.000 1.090 911 D HN 0.420 nan 8.370 nan 0.000 0.476 912 V N 1.891 121.790 119.914 -0.025 0.000 3.006 912 V HA 0.399 4.763 4.120 0.406 0.000 0.357 912 V C 0.759 176.834 176.094 -0.031 0.000 1.377 912 V CA -0.736 61.471 62.300 -0.155 0.000 1.198 912 V CB -0.636 31.056 31.823 -0.218 0.000 1.216 912 V HN 0.244 nan 8.190 nan 0.000 0.520 913 R N 0.358 120.927 120.500 0.115 0.000 2.623 913 R HA 0.418 5.002 4.340 0.406 0.000 0.271 913 R C 0.214 176.496 176.300 -0.030 0.000 1.043 913 R CA 0.306 56.378 56.100 -0.047 0.000 1.083 913 R CB -0.021 30.246 30.300 -0.055 0.000 0.974 913 R HN 0.456 nan 8.270 nan 0.000 0.436 914 F N -1.352 118.547 119.950 -0.086 0.000 2.953 914 F HA -0.329 4.441 4.527 0.405 0.000 0.292 914 F C 0.638 176.368 175.800 -0.117 0.000 0.747 914 F CA 0.336 58.206 58.000 -0.217 0.000 1.222 914 F CB -1.384 37.102 39.000 -0.858 0.000 1.457 914 F HN 0.606 nan 8.300 nan 0.000 0.383 915 N N 1.954 120.679 118.700 0.041 0.000 2.438 915 N HA 0.134 5.117 4.740 0.406 0.000 0.267 915 N C 1.240 176.754 175.510 0.006 0.000 1.222 915 N CA 0.992 54.045 53.050 0.005 0.000 0.930 915 N CB 1.271 39.709 38.487 -0.082 0.000 1.083 915 N HN 0.374 nan 8.380 nan 0.000 0.476 916 G N 2.244 111.053 108.800 0.014 0.000 2.776 916 G HA2 0.214 4.418 3.960 0.406 0.000 0.209 916 G HA3 0.214 4.418 3.960 0.406 0.000 0.209 916 G C 0.839 175.741 174.900 0.004 0.000 1.145 916 G CA 0.484 45.575 45.100 -0.015 0.000 0.791 916 G HN 1.019 nan 8.290 nan 0.000 0.530 917 G N -1.667 107.149 108.800 0.027 0.000 2.725 917 G HA2 0.378 4.582 3.960 0.406 0.000 0.220 917 G HA3 0.378 4.582 3.960 0.406 0.000 0.220 917 G C 0.553 175.512 174.900 0.098 0.000 1.357 917 G CA 0.213 45.360 45.100 0.078 0.000 0.866 917 G HN 1.887 nan 8.290 nan 0.000 0.548 918 G N -2.844 106.048 108.800 0.153 0.000 1.930 918 G HA2 0.560 4.763 3.960 0.406 0.000 0.054 918 G HA3 0.560 4.763 3.960 0.406 0.000 0.054 918 G C 0.444 175.511 174.900 0.278 0.000 0.902 918 G CA 1.231 46.468 45.100 0.229 0.000 1.168 918 G HN 2.484 nan 8.290 nan 0.000 0.383 919 F N -0.852 119.113 119.950 0.024 0.000 3.196 919 F HA 0.394 5.165 4.527 0.407 0.000 0.379 919 F C 1.185 176.968 175.800 -0.028 0.000 1.175 919 F CA 0.889 58.882 58.000 -0.011 0.000 0.940 919 F CB -0.402 38.585 39.000 -0.022 0.000 1.548 919 F HN 0.924 nan 8.300 nan 0.000 0.508 920 V N -0.543 118.980 119.914 -0.652 0.000 3.577 920 V HA 0.174 4.538 4.120 0.406 0.000 0.294 920 V C 2.132 178.077 176.094 -0.248 0.000 1.317 920 V CA 0.881 62.890 62.300 -0.486 0.000 1.169 920 V CB -0.792 30.678 31.823 -0.588 0.000 1.011 920 V HN 0.461 nan 8.190 nan 0.000 0.426 921 S N 2.227 117.839 115.700 -0.146 0.000 2.374 921 S HA -0.388 4.325 4.470 0.406 0.000 0.227 921 S C 1.974 176.600 174.600 0.044 0.000 1.037 921 S CA 2.036 60.227 58.200 -0.015 0.000 1.024 921 S CB -0.786 62.485 63.200 0.118 0.000 0.861 921 S HN 0.910 nan 8.310 nan 0.000 0.456 922 Q N 1.377 121.195 119.800 0.029 0.000 2.124 922 Q HA -0.025 4.558 4.340 0.406 0.000 0.202 922 Q C 2.266 178.263 176.000 -0.005 0.000 0.977 922 Q CA 1.550 57.379 55.803 0.044 0.000 0.850 922 Q CB -0.802 27.975 28.738 0.065 0.000 0.901 922 Q HN 0.603 nan 8.270 nan 0.000 0.429 923 L N 0.159 121.351 121.223 -0.052 0.000 2.141 923 L HA -0.081 4.503 4.340 0.406 0.000 0.209 923 L C 2.406 179.175 176.870 -0.168 0.000 1.094 923 L CA 0.794 55.593 54.840 -0.068 0.000 0.763 923 L CB -0.375 41.649 42.059 -0.058 0.000 0.908 923 L HN 0.258 nan 8.230 nan 0.000 0.437 924 I N -0.574 119.823 120.570 -0.289 0.000 2.400 924 I HA -0.208 4.206 4.170 0.406 0.000 0.248 924 I C 2.431 178.375 176.117 -0.288 0.000 1.109 924 I CA 0.654 61.603 61.300 -0.585 0.000 1.425 924 I CB -0.083 37.410 38.000 -0.844 0.000 1.094 924 I HN 0.128 nan 8.210 nan 0.000 0.425 925 I N 1.119 121.667 120.570 -0.036 0.000 2.264 925 I HA -0.314 4.099 4.170 0.406 0.000 0.248 925 I C 2.518 178.621 176.117 -0.023 0.000 1.111 925 I CA 1.676 62.993 61.300 0.028 0.000 1.382 925 I CB -0.938 37.087 38.000 0.041 0.000 1.060 925 I HN 0.416 nan 8.210 nan 0.000 0.418 926 E N 0.920 121.099 120.200 -0.034 0.000 2.077 926 E HA -0.280 4.313 4.350 0.406 0.000 0.193 926 E C 2.090 178.682 176.600 -0.013 0.000 0.989 926 E CA 1.450 57.842 56.400 -0.014 0.000 0.800 926 E CB 0.166 29.867 29.700 0.002 0.000 0.746 926 E HN 0.186 nan 8.360 nan 0.000 0.452 927 K N 0.407 120.773 120.400 -0.057 0.000 2.025 927 K HA -0.038 4.526 4.320 0.406 0.000 0.207 927 K C 2.038 178.662 176.600 0.040 0.000 1.049 927 K CA 1.011 57.272 56.287 -0.043 0.000 0.933 927 K CB -0.244 32.126 32.500 -0.216 0.000 0.714 927 K HN 0.152 nan 8.250 nan 0.000 0.438 928 L N 0.110 121.357 121.223 0.040 0.000 2.265 928 L HA -0.100 4.484 4.340 0.406 0.000 0.215 928 L C 2.240 179.147 176.870 0.061 0.000 1.117 928 L CA 0.635 55.556 54.840 0.135 0.000 0.782 928 L CB -0.326 41.840 42.059 0.178 0.000 0.914 928 L HN 0.263 nan 8.230 nan 0.000 0.441 929 M N -0.585 119.023 119.600 0.013 0.000 2.419 929 M HA -0.056 4.668 4.480 0.406 0.000 0.264 929 M C 0.438 176.740 176.300 0.004 0.000 1.082 929 M CA 0.604 55.893 55.300 -0.017 0.000 1.119 929 M CB -0.713 31.873 32.600 -0.024 0.000 1.398 929 M HN 0.286 nan 8.290 nan 0.000 0.453 930 N N 2.321 121.040 118.700 0.031 0.000 2.414 930 N HA -0.050 4.934 4.740 0.406 0.000 0.268 930 N C -0.092 175.428 175.510 0.018 0.000 1.286 930 N CA 0.312 53.374 53.050 0.021 0.000 0.896 930 N CB 0.474 38.984 38.487 0.039 0.000 1.093 930 N HN 0.140 nan 8.380 nan 0.000 0.480 931 K N 2.980 123.379 120.400 -0.003 0.000 2.211 931 K HA 0.156 4.720 4.320 0.406 0.000 0.275 931 K C -0.256 176.337 176.600 -0.011 0.000 1.024 931 K CA -0.701 55.587 56.287 0.003 0.000 0.887 931 K CB 0.889 33.393 32.500 0.006 0.000 1.084 931 K HN 0.424 nan 8.250 nan 0.000 0.463 932 R N 5.416 125.910 120.500 -0.009 0.000 2.351 932 R HA 0.090 4.674 4.340 0.406 0.000 0.318 932 R C 0.741 177.044 176.300 0.004 0.000 1.055 932 R CA 0.187 56.262 56.100 -0.042 0.000 0.968 932 R CB 0.091 30.355 30.300 -0.059 0.000 0.974 932 R HN 0.807 nan 8.270 nan 0.000 0.439 933 I N 0.630 121.224 120.570 0.040 0.000 4.338 933 I HA 0.501 4.914 4.170 0.406 0.000 0.329 933 I C 0.309 176.494 176.117 0.113 0.000 1.378 933 I CA -0.450 60.905 61.300 0.092 0.000 1.170 933 I CB 1.203 39.271 38.000 0.114 0.000 1.206 933 I HN 0.566 nan 8.210 nan 0.000 0.432 934 G N 0.007 108.858 108.800 0.085 0.000 2.649 934 G HA2 0.644 4.847 3.960 0.406 0.000 0.290 934 G HA3 0.644 4.847 3.960 0.406 0.000 0.290 934 G C -2.301 172.545 174.900 -0.091 0.000 1.426 934 G CA -0.510 44.636 45.100 0.077 0.000 0.794 934 G HN 0.055 nan 8.290 nan 0.000 0.483 935 Y N -0.921 119.424 120.300 0.075 0.000 2.625 935 Y HA 0.539 5.333 4.550 0.406 0.000 0.338 935 Y C -1.150 174.771 175.900 0.034 0.000 1.123 935 Y CA -0.690 57.448 58.100 0.063 0.000 1.046 935 Y CB 2.918 41.400 38.460 0.037 0.000 1.299 935 Y HN 0.531 nan 8.280 nan 0.000 0.464 936 D N 1.191 121.731 120.400 0.233 0.000 2.408 936 D HA 0.249 5.132 4.640 0.406 0.000 0.243 936 D C -1.479 174.891 176.300 0.115 0.000 1.075 936 D CA -0.473 53.603 54.000 0.127 0.000 0.832 936 D CB 0.863 41.723 40.800 0.101 0.000 1.162 936 D HN 0.509 nan 8.370 nan 0.000 0.515 937 N N 3.940 122.682 118.700 0.070 0.000 2.457 937 N HA 0.417 5.401 4.740 0.406 0.000 0.250 937 N C -2.276 173.251 175.510 0.028 0.000 0.982 937 N CA -1.031 52.044 53.050 0.042 0.000 0.941 937 N CB 1.385 39.887 38.487 0.025 0.000 1.120 937 N HN 0.287 nan 8.380 nan 0.000 0.505 938 P HA 0.312 nan 4.420 nan 0.000 0.285 938 P C 0.259 177.565 177.300 0.009 0.000 1.269 938 P CA -0.522 62.589 63.100 0.018 0.000 0.844 938 P CB 1.943 33.655 31.700 0.020 0.000 1.094 939 R N 1.640 122.144 120.500 0.007 0.000 2.096 939 R HA -0.071 4.512 4.340 0.406 0.000 0.235 939 R C 0.869 177.170 176.300 0.001 0.000 1.127 939 R CA 1.486 57.588 56.100 0.003 0.000 0.968 939 R CB -0.182 30.120 30.300 0.003 0.000 0.861 939 R HN 0.645 nan 8.270 nan 0.000 0.440 940 R N -1.636 118.865 120.500 0.003 0.000 2.673 940 R HA 0.628 5.212 4.340 0.406 0.000 0.281 940 R C -0.435 175.866 176.300 0.002 0.000 0.991 940 R CA -0.533 55.567 56.100 0.000 0.000 0.896 940 R CB 1.638 31.938 30.300 0.000 0.000 1.201 940 R HN 0.206 nan 8.270 nan 0.000 0.457 941 G N 0.878 109.677 108.800 -0.001 0.000 2.500 941 G HA2 -0.081 4.123 3.960 0.406 0.000 0.209 941 G HA3 -0.081 4.123 3.960 0.406 0.000 0.209 941 G C -0.565 174.334 174.900 -0.002 0.000 1.283 941 G CA -0.370 44.730 45.100 -0.000 0.000 0.960 941 G HN 1.083 nan 8.290 nan 0.000 0.528 942 T N -1.648 112.908 114.554 0.002 0.000 2.938 942 T HA 0.753 5.347 4.350 0.406 0.000 0.285 942 T C 0.797 175.512 174.700 0.026 0.000 1.028 942 T CA -0.600 61.501 62.100 0.001 0.000 1.005 942 T CB 1.366 70.229 68.868 -0.009 0.000 1.157 942 T HN 0.991 nan 8.240 nan 0.000 0.550 943 L N 1.565 122.807 121.223 0.031 0.000 2.483 943 L HA 0.299 4.883 4.340 0.406 0.000 0.276 943 L C 0.413 177.388 176.870 0.175 0.000 1.213 943 L CA -0.210 54.694 54.840 0.106 0.000 0.843 943 L CB 0.480 42.577 42.059 0.062 0.000 1.107 943 L HN 0.705 nan 8.230 nan 0.000 0.487 944 S N 3.167 118.995 115.700 0.213 0.000 2.449 944 S HA 0.445 5.158 4.470 0.406 0.000 0.310 944 S C -2.309 172.365 174.600 0.123 0.000 1.096 944 S CA -1.098 57.189 58.200 0.145 0.000 1.095 944 S CB 1.781 65.039 63.200 0.097 0.000 1.007 944 S HN 0.425 nan 8.310 nan 0.000 0.474 945 P HA 0.245 nan 4.420 nan 0.000 0.278 945 P C -1.503 175.700 177.300 -0.162 0.000 1.238 945 P CA -0.416 62.463 63.100 -0.368 0.000 0.794 945 P CB 0.624 32.150 31.700 -0.291 0.000 0.955 946 Y N 3.504 123.611 120.300 -0.322 0.000 2.326 946 Y HA 0.461 5.255 4.550 0.406 0.000 0.329 946 Y C -2.690 173.138 175.900 -0.121 0.000 0.973 946 Y CA -2.675 55.336 58.100 -0.148 0.000 1.162 946 Y CB 1.701 40.101 38.460 -0.101 0.000 1.147 946 Y HN 0.260 nan 8.280 nan 0.000 0.456 947 P HA 0.186 nan 4.420 nan 0.000 0.274 947 P C 0.471 177.651 177.300 -0.200 0.000 1.246 947 P CA 0.005 62.771 63.100 -0.556 0.000 0.795 947 P CB 1.081 32.540 31.700 -0.402 0.000 1.006 948 T N -0.597 113.895 114.554 -0.103 0.000 2.746 948 T HA -0.121 4.472 4.350 0.406 0.000 0.267 948 T C 0.653 175.381 174.700 0.046 0.000 1.039 948 T CA 1.516 63.608 62.100 -0.014 0.000 1.142 948 T CB -0.951 67.932 68.868 0.025 0.000 0.866 948 T HN 0.486 nan 8.240 nan 0.000 0.444 949 N N 2.082 120.846 118.700 0.106 0.000 3.052 949 N HA 0.199 5.183 4.740 0.406 0.000 0.302 949 N C -0.652 175.054 175.510 0.326 0.000 1.332 949 N CA -0.474 52.764 53.050 0.314 0.000 1.129 949 N CB 0.278 38.959 38.487 0.324 0.000 1.436 949 N HN 0.301 nan 8.380 nan 0.000 0.536 950 S N -1.508 114.303 115.700 0.186 0.000 2.566 950 S HA 0.511 5.225 4.470 0.406 0.000 0.298 950 S C -0.163 174.521 174.600 0.140 0.000 1.083 950 S CA -0.857 57.435 58.200 0.154 0.000 0.978 950 S CB 1.754 64.963 63.200 0.015 0.000 1.073 950 S HN -0.129 nan 8.310 nan 0.000 0.491 951 V N 3.109 123.129 119.914 0.176 0.000 2.649 951 V HA 0.359 4.722 4.120 0.406 0.000 0.292 951 V C 1.821 177.965 176.094 0.083 0.000 1.055 951 V CA -0.477 61.908 62.300 0.142 0.000 1.023 951 V CB 1.141 33.089 31.823 0.207 0.000 0.992 951 V HN 1.055 nan 8.190 nan 0.000 0.480 952 R N 2.428 122.969 120.500 0.068 0.000 2.062 952 R HA 0.073 4.656 4.340 0.406 0.000 0.229 952 R C 1.102 177.453 176.300 0.085 0.000 1.128 952 R CA 1.406 57.550 56.100 0.073 0.000 0.960 952 R CB -0.079 30.260 30.300 0.066 0.000 0.855 952 R HN 0.888 nan 8.270 nan 0.000 0.432 953 G N -0.009 108.848 108.800 0.094 0.000 3.286 953 G HA2 0.252 4.456 3.960 0.406 0.000 0.166 953 G HA3 0.252 4.456 3.960 0.406 0.000 0.166 953 G C -1.096 173.858 174.900 0.090 0.000 1.155 953 G CA -0.600 44.553 45.100 0.088 0.000 0.871 953 G HN -0.022 nan 8.290 nan 0.000 0.637 954 K N 0.504 120.957 120.400 0.088 0.000 2.270 954 K HA 0.440 5.004 4.320 0.406 0.000 0.276 954 K C -0.396 176.281 176.600 0.128 0.000 1.023 954 K CA 0.059 56.400 56.287 0.089 0.000 0.955 954 K CB 1.495 34.038 32.500 0.073 0.000 0.975 954 K HN 0.304 nan 8.250 nan 0.000 0.471 955 I N 2.508 123.171 120.570 0.155 0.000 2.603 955 I HA 0.388 4.802 4.170 0.406 0.000 0.300 955 I C -0.228 176.067 176.117 0.297 0.000 1.017 955 I CA -1.086 60.363 61.300 0.248 0.000 1.098 955 I CB 1.701 39.900 38.000 0.331 0.000 1.279 955 I HN 0.278 nan 8.210 nan 0.000 0.437 956 I N 3.843 124.576 120.570 0.271 0.000 2.569 956 I HA 0.582 4.995 4.170 0.406 0.000 0.290 956 I C -0.791 175.360 176.117 0.056 0.000 1.088 956 I CA -0.358 61.062 61.300 0.201 0.000 1.047 956 I CB 1.855 39.940 38.000 0.142 0.000 1.237 956 I HN 0.696 nan 8.210 nan 0.000 0.421 957 A N 8.126 130.851 122.820 -0.157 0.000 2.324 957 A HA 0.835 5.399 4.320 0.406 0.000 0.330 957 A C -0.803 176.707 177.584 -0.123 0.000 1.165 957 A CA -0.554 51.263 52.037 -0.367 0.000 0.813 957 A CB 0.947 19.289 19.000 -1.098 0.000 1.197 957 A HN 0.593 nan 8.150 nan 0.000 0.484 958 I N 1.319 121.864 120.570 -0.042 0.000 2.465 958 I HA 0.545 4.958 4.170 0.406 0.000 0.291 958 I C 0.053 176.184 176.117 0.024 0.000 1.014 958 I CA -0.261 61.058 61.300 0.032 0.000 1.093 958 I CB 2.280 40.352 38.000 0.120 0.000 1.267 958 I HN 0.661 nan 8.210 nan 0.000 0.431 959 T N 4.328 118.885 114.554 0.005 0.000 2.868 959 T HA 0.591 5.184 4.350 0.406 0.000 0.306 959 T C -1.305 173.364 174.700 -0.052 0.000 1.224 959 T CA -0.605 61.487 62.100 -0.014 0.000 1.012 959 T CB 1.769 70.641 68.868 0.006 0.000 1.221 959 T HN 0.837 nan 8.240 nan 0.000 0.499 960 N N 0.644 119.276 118.700 -0.114 0.000 3.229 960 N HA 0.305 5.288 4.740 0.406 0.000 0.315 960 N C 0.540 175.935 175.510 -0.192 0.000 1.520 960 N CA -0.716 52.231 53.050 -0.171 0.000 0.769 960 N CB 0.344 38.675 38.487 -0.260 0.000 1.766 960 N HN 0.609 nan 8.380 nan 0.000 0.618 961 E N -0.671 119.339 120.200 -0.317 0.000 2.516 961 E HA -0.133 4.460 4.350 0.406 0.000 0.199 961 E C -0.123 176.274 176.600 -0.338 0.000 1.069 961 E CA 0.886 57.101 56.400 -0.310 0.000 0.876 961 E CB -0.516 28.950 29.700 -0.390 0.000 0.843 961 E HN 0.739 nan 8.360 nan 0.000 0.530 962 Y N 0.646 120.881 120.300 -0.108 0.000 2.485 962 Y HA 0.414 5.208 4.550 0.406 0.000 0.260 962 Y C 0.977 176.809 175.900 -0.114 0.000 1.173 962 Y CA -0.231 57.804 58.100 -0.109 0.000 1.252 962 Y CB 0.848 39.198 38.460 -0.184 0.000 1.123 962 Y HN 0.056 nan 8.280 nan 0.000 0.524 963 A N 0.855 123.687 122.820 0.021 0.000 2.276 963 A HA 0.752 5.316 4.320 0.406 0.000 0.316 963 A C 0.361 178.029 177.584 0.139 0.000 1.229 963 A CA 0.067 52.127 52.037 0.039 0.000 0.851 963 A CB 0.167 19.176 19.000 0.016 0.000 1.165 963 A HN 0.311 nan 8.150 nan 0.000 0.513 964 G N -0.001 108.884 108.800 0.141 0.000 2.727 964 G HA2 0.610 4.814 3.960 0.406 0.000 0.289 964 G HA3 0.610 4.814 3.960 0.406 0.000 0.289 964 G C 0.170 175.294 174.900 0.373 0.000 1.418 964 G CA 0.506 45.830 45.100 0.374 0.000 0.818 964 G HN 1.724 nan 8.290 nan 0.000 0.486 965 S N -1.038 115.053 115.700 0.651 0.000 4.139 965 S HA -0.362 4.351 4.470 0.406 0.000 0.603 965 S C 1.556 176.313 174.600 0.262 0.000 1.897 965 S CA 2.326 60.846 58.200 0.533 0.000 4.241 965 S CB -1.554 62.007 63.200 0.601 0.000 0.221 965 S HN 1.108 nan 8.310 nan 0.000 0.488 966 D N 0.794 121.306 120.400 0.186 0.000 2.263 966 D HA 0.074 4.957 4.640 0.406 0.000 0.208 966 D C 1.755 178.123 176.300 0.113 0.000 0.971 966 D CA 1.838 55.890 54.000 0.086 0.000 0.867 966 D CB -0.866 39.971 40.800 0.061 0.000 0.929 966 D HN 0.533 nan 8.370 nan 0.000 0.492 967 G N -0.397 108.485 108.800 0.137 0.000 2.448 967 G HA2 -0.188 4.016 3.960 0.406 0.000 0.218 967 G HA3 -0.188 4.016 3.960 0.406 0.000 0.218 967 G C 1.437 176.471 174.900 0.225 0.000 1.135 967 G CA 0.417 45.600 45.100 0.138 0.000 0.784 967 G HN 0.204 nan 8.290 nan 0.000 0.543 968 D N 0.681 121.227 120.400 0.244 0.000 2.103 968 D HA -0.021 4.863 4.640 0.406 0.000 0.199 968 D C 2.596 179.051 176.300 0.258 0.000 0.978 968 D CA 0.357 54.510 54.000 0.254 0.000 0.829 968 D CB 0.020 40.979 40.800 0.266 0.000 0.981 968 D HN 0.316 nan 8.370 nan 0.000 0.464 969 I N 0.587 121.260 120.570 0.172 0.000 2.127 969 I HA -0.274 4.140 4.170 0.406 0.000 0.241 969 I C 2.381 178.679 176.117 0.301 0.000 1.075 969 I CA 0.854 62.244 61.300 0.150 0.000 1.334 969 I CB -0.292 37.557 38.000 -0.252 0.000 1.040 969 I HN -0.084 nan 8.210 nan 0.000 0.405 970 F N 1.547 121.551 119.950 0.090 0.000 2.091 970 F HA -0.288 4.483 4.527 0.405 0.000 0.299 970 F C 2.665 178.542 175.800 0.128 0.000 1.103 970 F CA 2.019 60.070 58.000 0.085 0.000 1.228 970 F CB -0.334 38.669 39.000 0.006 0.000 0.984 970 F HN -0.057 nan 8.300 nan 0.000 0.477 971 S N 0.385 116.228 115.700 0.238 0.000 2.353 971 S HA -0.243 4.471 4.470 0.406 0.000 0.222 971 S C 1.829 176.448 174.600 0.031 0.000 1.035 971 S CA 1.593 59.853 58.200 0.101 0.000 1.025 971 S CB -0.976 62.325 63.200 0.167 0.000 0.902 971 S HN 0.532 nan 8.310 nan 0.000 0.440 972 F N 2.310 122.231 119.950 -0.049 0.000 2.134 972 F HA -0.141 4.629 4.527 0.406 0.000 0.299 972 F C 2.480 178.114 175.800 -0.277 0.000 1.097 972 F CA 1.319 59.191 58.000 -0.214 0.000 1.264 972 F CB -0.476 38.284 39.000 -0.399 0.000 1.001 972 F HN 0.087 nan 8.300 nan 0.000 0.479 973 S N 0.242 115.946 115.700 0.006 0.000 2.356 973 S HA -0.223 4.490 4.470 0.406 0.000 0.223 973 S C 1.847 176.338 174.600 -0.182 0.000 1.032 973 S CA 1.453 59.633 58.200 -0.033 0.000 1.005 973 S CB -0.880 62.365 63.200 0.074 0.000 0.867 973 S HN 0.488 nan 8.310 nan 0.000 0.449 974 F N 2.388 122.085 119.950 -0.422 0.000 2.095 974 F HA -0.190 4.580 4.527 0.405 0.000 0.298 974 F C 2.115 177.736 175.800 -0.300 0.000 1.104 974 F CA 1.570 59.322 58.000 -0.414 0.000 1.232 974 F CB -0.155 38.537 39.000 -0.514 0.000 0.987 974 F HN 0.089 nan 8.300 nan 0.000 0.475 975 K N -0.169 120.157 120.400 -0.123 0.000 2.001 975 K HA -0.211 4.353 4.320 0.406 0.000 0.208 975 K C 2.048 178.451 176.600 -0.328 0.000 1.048 975 K CA 1.587 57.744 56.287 -0.217 0.000 0.932 975 K CB -0.353 31.970 32.500 -0.294 0.000 0.715 975 K HN 0.008 nan 8.250 nan 0.000 0.437 976 K N 1.628 121.744 120.400 -0.472 0.000 2.113 976 K HA -0.125 4.439 4.320 0.406 0.000 0.208 976 K C 1.601 178.062 176.600 -0.233 0.000 1.047 976 K CA 1.354 57.400 56.287 -0.402 0.000 0.928 976 K CB -0.162 32.073 32.500 -0.442 0.000 0.716 976 K HN 0.083 nan 8.250 nan 0.000 0.446 977 L N -0.717 120.372 121.223 -0.224 0.000 2.591 977 L HA 0.226 4.809 4.340 0.406 0.000 0.228 977 L C 0.986 177.724 176.870 -0.220 0.000 1.133 977 L CA 0.238 54.966 54.840 -0.186 0.000 0.880 977 L CB -0.210 41.739 42.059 -0.182 0.000 1.033 977 L HN 0.476 nan 8.230 nan 0.000 0.450 978 G N 0.637 109.285 108.800 -0.254 0.000 2.273 978 G HA2 -0.287 3.916 3.960 0.406 0.000 0.280 978 G HA3 -0.287 3.916 3.960 0.406 0.000 0.280 978 G C 0.575 175.289 174.900 -0.309 0.000 1.047 978 G CA 0.130 45.091 45.100 -0.233 0.000 0.869 978 G HN 0.223 nan 8.290 nan 0.000 0.502 979 L N -0.463 120.417 121.223 -0.573 0.000 2.291 979 L HA 0.456 5.040 4.340 0.406 0.000 0.214 979 L C 1.843 178.357 176.870 -0.593 0.000 1.120 979 L CA 2.262 56.653 54.840 -0.749 0.000 0.799 979 L CB -0.385 40.856 42.059 -1.364 0.000 0.925 979 L HN 1.097 nan 8.230 nan 0.000 0.446 980 G N -2.429 106.134 108.800 -0.395 0.000 2.327 980 G HA2 0.148 4.352 3.960 0.406 0.000 0.291 980 G HA3 0.148 4.352 3.960 0.406 0.000 0.291 980 G C -1.356 173.683 174.900 0.232 0.000 1.290 980 G CA -0.928 44.213 45.100 0.067 0.000 0.857 980 G HN -0.291 nan 8.290 nan 0.000 0.520 981 K N -0.361 120.183 120.400 0.241 0.000 2.144 981 K HA 0.631 5.194 4.320 0.406 0.000 0.270 981 K C -0.692 176.021 176.600 0.189 0.000 1.005 981 K CA -0.665 55.728 56.287 0.178 0.000 0.932 981 K CB 1.805 34.389 32.500 0.140 0.000 1.021 981 K HN 0.425 nan 8.250 nan 0.000 0.462 982 L N 3.553 124.838 121.223 0.104 0.000 2.296 982 L HA 0.409 4.992 4.340 0.406 0.000 0.286 982 L C -1.025 175.854 176.870 0.015 0.000 1.023 982 L CA -0.527 54.322 54.840 0.016 0.000 0.812 982 L CB 0.886 42.942 42.059 -0.005 0.000 1.223 982 L HN 0.414 nan 8.230 nan 0.000 0.421 983 I N 4.185 124.761 120.570 0.010 0.000 2.603 983 I HA 0.924 5.338 4.170 0.406 0.000 0.300 983 I C 0.647 176.754 176.117 -0.017 0.000 1.017 983 I CA 0.382 61.686 61.300 0.007 0.000 1.098 983 I CB 1.625 39.682 38.000 0.096 0.000 1.279 983 I HN 0.772 nan 8.210 nan 0.000 0.437 984 G N 3.262 112.031 108.800 -0.052 0.000 2.253 984 G HA2 0.172 4.375 3.960 0.406 0.000 0.190 984 G HA3 0.172 4.375 3.960 0.406 0.000 0.190 984 G C -0.591 174.279 174.900 -0.049 0.000 1.274 984 G CA -0.135 44.941 45.100 -0.040 0.000 1.275 984 G HN 0.925 nan 8.290 nan 0.000 0.518 985 T N -1.998 112.527 114.554 -0.048 0.000 2.909 985 T HA 0.695 5.288 4.350 0.406 0.000 0.299 985 T C -0.003 174.654 174.700 -0.071 0.000 1.073 985 T CA 0.154 62.221 62.100 -0.056 0.000 0.999 985 T CB 2.398 71.234 68.868 -0.054 0.000 1.098 985 T HN 1.089 nan 8.240 nan 0.000 0.477 986 R N 1.811 122.261 120.500 -0.084 0.000 2.538 986 R HA 0.197 4.781 4.340 0.406 0.000 0.273 986 R C 0.701 176.946 176.300 -0.092 0.000 0.967 986 R CA 0.557 56.590 56.100 -0.112 0.000 1.101 986 R CB -0.078 30.096 30.300 -0.210 0.000 0.908 986 R HN 0.928 nan 8.270 nan 0.000 0.411 987 T N 1.395 115.927 114.554 -0.037 0.000 2.788 987 T HA 0.002 4.595 4.350 0.406 0.000 0.287 987 T C 0.936 175.722 174.700 0.144 0.000 1.007 987 T CA -0.391 61.744 62.100 0.058 0.000 1.005 987 T CB 0.580 69.524 68.868 0.126 0.000 1.012 987 T HN 0.832 nan 8.240 nan 0.000 0.530 988 W N 2.110 123.441 121.300 0.052 0.000 2.277 988 W HA -0.098 4.805 4.660 0.405 0.000 0.327 988 W C 1.810 178.487 176.519 0.264 0.000 1.284 988 W CA 2.825 60.272 57.345 0.170 0.000 1.277 988 W CB -1.057 28.528 29.460 0.209 0.000 1.141 988 W HN 1.439 nan 8.180 nan 0.000 0.482 989 G N -0.964 107.986 108.800 0.251 0.000 2.165 989 G HA2 -0.059 4.145 3.960 0.406 0.000 0.226 989 G HA3 -0.059 4.145 3.960 0.406 0.000 0.226 989 G C 0.169 175.095 174.900 0.043 0.000 1.035 989 G CA -0.045 45.113 45.100 0.097 0.000 0.744 989 G HN 1.057 nan 8.290 nan 0.000 0.501 990 G N -0.498 108.243 108.800 -0.099 0.000 2.788 990 G HA2 0.649 4.852 3.960 0.406 0.000 0.327 990 G HA3 0.649 4.852 3.960 0.406 0.000 0.327 990 G C 0.372 175.439 174.900 0.278 0.000 1.249 990 G CA 0.199 45.129 45.100 -0.284 0.000 1.063 990 G HN 1.595 nan 8.290 nan 0.000 0.497 991 V N 0.557 120.564 119.914 0.155 0.000 2.804 991 V HA 0.452 4.816 4.120 0.406 0.000 0.360 991 V C -0.449 175.648 176.094 0.004 0.000 1.282 991 V CA -0.678 61.693 62.300 0.119 0.000 1.274 991 V CB 0.465 32.334 31.823 0.077 0.000 1.415 991 V HN 0.197 nan 8.190 nan 0.000 0.610 992 V N 2.115 121.979 119.914 -0.082 0.000 2.304 992 V HA 0.755 5.119 4.120 0.406 0.000 0.278 992 V C 1.267 177.161 176.094 -0.333 0.000 1.018 992 V CA 0.157 62.325 62.300 -0.221 0.000 0.814 992 V CB 0.903 32.542 31.823 -0.306 0.000 1.021 992 V HN 0.638 nan 8.190 nan 0.000 0.440 993 G N 4.710 113.366 108.800 -0.240 0.000 2.667 993 G HA2 0.563 4.766 3.960 0.406 0.000 0.250 993 G HA3 0.563 4.766 3.960 0.406 0.000 0.250 993 G C -0.317 174.586 174.900 0.005 0.000 1.212 993 G CA -0.251 44.691 45.100 -0.263 0.000 0.874 993 G HN 0.876 nan 8.290 nan 0.000 0.561 994 I N -3.490 117.066 120.570 -0.023 0.000 2.828 994 I HA 0.774 5.188 4.170 0.406 0.000 0.302 994 I C -0.840 175.316 176.117 0.064 0.000 1.101 994 I CA -0.938 60.422 61.300 0.100 0.000 1.031 994 I CB 2.767 40.776 38.000 0.016 0.000 1.231 994 I HN 0.320 nan 8.210 nan 0.000 0.427 995 T N 3.520 118.170 114.554 0.159 0.000 3.318 995 T HA 0.332 4.925 4.350 0.406 0.000 0.304 995 T C -2.557 172.179 174.700 0.061 0.000 1.051 995 T CA -0.553 61.577 62.100 0.050 0.000 1.546 995 T CB 0.525 69.416 68.868 0.040 0.000 0.875 995 T HN 0.569 nan 8.240 nan 0.000 0.578 996 P HA 0.260 nan 4.420 nan 0.000 0.269 996 P C 0.023 177.348 177.300 0.042 0.000 1.209 996 P CA -0.292 62.830 63.100 0.037 0.000 0.776 996 P CB 1.003 32.724 31.700 0.036 0.000 0.876 997 K N 0.720 121.165 120.400 0.076 0.000 2.562 997 K HA 0.334 4.898 4.320 0.406 0.000 0.201 997 K C 0.375 177.143 176.600 0.279 0.000 1.131 997 K CA -0.540 55.821 56.287 0.124 0.000 1.059 997 K CB 0.974 33.465 32.500 -0.015 0.000 0.913 997 K HN 0.226 nan 8.250 nan 0.000 0.563 998 R N 0.972 121.590 120.500 0.196 0.000 2.651 998 R HA 0.444 5.028 4.340 0.406 0.000 0.278 998 R C -1.143 175.214 176.300 0.095 0.000 1.010 998 R CA -0.777 55.422 56.100 0.163 0.000 0.896 998 R CB 2.386 32.780 30.300 0.157 0.000 1.211 998 R HN 0.033 nan 8.270 nan 0.000 0.456 999 R N 1.817 122.361 120.500 0.074 0.000 2.778 999 R HA 0.504 5.088 4.340 0.406 0.000 0.277 999 R C -0.223 176.106 176.300 0.049 0.000 0.977 999 R CA -0.887 55.253 56.100 0.068 0.000 0.950 999 R CB 1.564 31.913 30.300 0.081 0.000 1.165 999 R HN 0.321 nan 8.270 nan 0.000 0.474 1000 L N 2.924 124.178 121.223 0.052 0.000 2.466 1000 L HA 0.192 4.776 4.340 0.406 0.000 0.257 1000 L C 2.132 179.026 176.870 0.041 0.000 1.189 1000 L CA -0.059 54.802 54.840 0.035 0.000 0.813 1000 L CB 0.489 42.568 42.059 0.033 0.000 1.118 1000 L HN 0.765 nan 8.230 nan 0.000 0.471 1001 I N -1.377 119.201 120.570 0.015 0.000 2.761 1001 I HA -0.229 4.184 4.170 0.406 0.000 0.266 1001 I C 1.228 177.358 176.117 0.021 0.000 1.239 1001 I CA 1.476 62.781 61.300 0.007 0.000 1.451 1001 I CB -0.446 37.533 38.000 -0.035 0.000 1.096 1001 I HN 0.771 nan 8.210 nan 0.000 0.465 1002 D N 0.439 120.862 120.400 0.039 0.000 2.395 1002 D HA 0.193 5.076 4.640 0.406 0.000 0.213 1002 D C 1.550 178.026 176.300 0.294 0.000 1.110 1002 D CA 0.518 54.571 54.000 0.088 0.000 0.835 1002 D CB 0.604 41.394 40.800 -0.016 0.000 0.965 1002 D HN 0.496 nan 8.370 nan 0.000 0.505 1003 G N 0.163 109.093 108.800 0.217 0.000 2.254 1003 G HA2 -0.264 3.940 3.960 0.406 0.000 0.225 1003 G HA3 -0.264 3.940 3.960 0.406 0.000 0.225 1003 G C 0.533 175.515 174.900 0.136 0.000 1.003 1003 G CA 0.098 45.310 45.100 0.186 0.000 0.622 1003 G HN 0.422 nan 8.290 nan 0.000 0.507 1004 T N 1.384 116.015 114.554 0.130 0.000 2.923 1004 T HA 0.356 4.949 4.350 0.406 0.000 0.304 1004 T C 0.370 175.129 174.700 0.098 0.000 1.044 1004 T CA 0.734 62.908 62.100 0.123 0.000 1.141 1004 T CB 1.869 70.799 68.868 0.103 0.000 1.023 1004 T HN 0.716 nan 8.240 nan 0.000 0.533 1005 V N 5.594 125.566 119.914 0.096 0.000 2.357 1005 V HA 0.386 4.750 4.120 0.406 0.000 0.284 1005 V C 0.173 176.313 176.094 0.077 0.000 1.018 1005 V CA -0.685 61.661 62.300 0.077 0.000 0.841 1005 V CB 1.010 32.872 31.823 0.065 0.000 0.991 1005 V HN 0.682 nan 8.190 nan 0.000 0.437 1006 L N 4.465 125.725 121.223 0.061 0.000 2.344 1006 L HA 0.765 5.348 4.340 0.406 0.000 0.272 1006 L C 0.481 177.368 176.870 0.028 0.000 1.035 1006 L CA -0.319 54.550 54.840 0.048 0.000 0.807 1006 L CB 2.254 44.329 42.059 0.026 0.000 1.237 1006 L HN 0.762 nan 8.230 nan 0.000 0.442 1007 T N -0.707 113.850 114.554 0.005 0.000 2.887 1007 T HA 0.684 5.277 4.350 0.406 0.000 0.288 1007 T C -0.705 173.930 174.700 -0.107 0.000 1.021 1007 T CA -0.917 61.159 62.100 -0.040 0.000 1.000 1007 T CB 2.033 70.871 68.868 -0.051 0.000 1.034 1007 T HN 0.445 nan 8.240 nan 0.000 0.467 1008 Q N 2.461 122.198 119.800 -0.106 0.000 2.337 1008 Q HA 0.461 5.045 4.340 0.406 0.000 0.270 1008 Q C -2.722 173.203 176.000 -0.126 0.000 1.043 1008 Q CA -2.174 53.542 55.803 -0.145 0.000 0.794 1008 Q CB 2.320 30.962 28.738 -0.161 0.000 1.281 1008 Q HN 0.498 nan 8.270 nan 0.000 0.446 1009 P HA -0.041 nan 4.420 nan 0.000 0.267 1009 P C -0.465 176.722 177.300 -0.190 0.000 1.328 1009 P CA 0.384 63.410 63.100 -0.122 0.000 0.990 1009 P CB 0.767 32.421 31.700 -0.077 0.000 1.168 1010 E N 2.447 122.513 120.200 -0.224 0.000 2.447 1010 E HA 0.093 4.687 4.350 0.406 0.000 0.204 1010 E C -0.477 175.677 176.600 -0.745 0.000 0.977 1010 E CA 0.092 56.186 56.400 -0.512 0.000 0.950 1010 E CB 0.213 29.488 29.700 -0.707 0.000 0.975 1010 E HN 0.292 nan 8.360 nan 0.000 0.496 1011 F N 1.013 120.871 119.950 -0.154 0.000 2.564 1011 F HA 0.474 5.244 4.527 0.405 0.000 0.368 1011 F C -0.184 175.468 175.800 -0.246 0.000 1.127 1011 F CA -1.017 56.895 58.000 -0.147 0.000 1.170 1011 F CB 1.207 40.134 39.000 -0.121 0.000 1.397 1011 F HN -0.088 nan 8.300 nan 0.000 0.493 1012 A N 2.861 125.496 122.820 -0.309 0.000 2.491 1012 A HA 0.247 4.811 4.320 0.406 0.000 0.261 1012 A C -0.552 176.990 177.584 -0.069 0.000 1.101 1012 A CA -0.088 51.627 52.037 -0.537 0.000 0.772 1012 A CB -0.260 17.771 19.000 -1.614 0.000 1.043 1012 A HN 0.613 nan 8.150 nan 0.000 0.501 1013 F N 2.966 122.851 119.950 -0.110 0.000 2.456 1013 F HA 0.425 5.195 4.527 0.405 0.000 0.358 1013 F C -0.076 175.679 175.800 -0.075 0.000 1.095 1013 F CA 0.163 58.096 58.000 -0.111 0.000 1.216 1013 F CB 0.551 39.417 39.000 -0.224 0.000 1.125 1013 F HN 0.677 nan 8.300 nan 0.000 0.549 1014 W N 8.421 129.198 121.300 -0.870 0.000 2.538 1014 W HA 0.476 5.379 4.660 0.406 0.000 0.322 1014 W C -1.972 174.181 176.519 -0.611 0.000 1.028 1014 W CA -1.050 55.845 57.345 -0.749 0.000 1.228 1014 W CB 0.893 29.856 29.460 -0.828 0.000 1.356 1014 W HN 0.358 nan 8.180 nan 0.000 0.452 1015 F N 5.563 125.026 119.950 -0.812 0.000 2.404 1015 F HA 0.411 5.182 4.527 0.407 0.000 0.339 1015 F C 1.051 176.069 175.800 -1.303 0.000 1.105 1015 F CA -1.200 56.382 58.000 -0.697 0.000 1.087 1015 F CB 1.165 39.757 39.000 -0.680 0.000 1.143 1015 F HN 0.203 nan 8.300 nan 0.000 0.491 1016 R N 3.619 123.762 120.500 -0.594 0.000 2.449 1016 R HA 0.030 4.614 4.340 0.406 0.000 0.296 1016 R C -0.744 175.360 176.300 -0.327 0.000 1.047 1016 R CA 0.341 56.063 56.100 -0.631 0.000 1.018 1016 R CB 0.043 30.324 30.300 -0.031 0.000 0.962 1016 R HN 0.774 nan 8.270 nan 0.000 0.428 1017 D N 2.381 122.587 120.400 -0.322 0.000 2.809 1017 D HA -0.196 4.688 4.640 0.406 0.000 0.234 1017 D C -0.232 175.989 176.300 -0.131 0.000 1.111 1017 D CA 1.252 55.171 54.000 -0.135 0.000 0.726 1017 D CB -1.327 39.450 40.800 -0.039 0.000 1.089 1017 D HN 0.681 nan 8.370 nan 0.000 0.436 1018 A N -1.696 120.954 122.820 -0.282 0.000 2.509 1018 A HA 0.541 5.104 4.320 0.406 0.000 0.157 1018 A C 1.605 178.991 177.584 -0.330 0.000 1.886 1018 A CA 1.166 53.067 52.037 -0.227 0.000 1.223 1018 A CB -0.184 18.680 19.000 -0.227 0.000 1.330 1018 A HN 1.450 nan 8.150 nan 0.000 0.381 1019 G N 0.219 108.608 108.800 -0.685 0.000 2.622 1019 G HA2 -0.342 3.861 3.960 0.406 0.000 0.307 1019 G HA3 -0.342 3.861 3.960 0.406 0.000 0.307 1019 G C 0.484 174.996 174.900 -0.647 0.000 1.226 1019 G CA 1.080 45.711 45.100 -0.781 0.000 0.997 1019 G HN 0.855 nan 8.290 nan 0.000 0.551 1020 F N 2.721 122.678 119.950 0.012 0.000 2.695 1020 F HA 0.359 5.129 4.527 0.405 0.000 0.303 1020 F C 2.621 178.432 175.800 0.018 0.000 1.091 1020 F CA 0.726 58.735 58.000 0.015 0.000 1.300 1020 F CB 0.106 39.130 39.000 0.039 0.000 1.071 1020 F HN 0.612 nan 8.300 nan 0.000 0.578 1021 G N 0.893 109.773 108.800 0.132 0.000 2.656 1021 G HA2 -0.324 3.880 3.960 0.406 0.000 0.223 1021 G HA3 -0.324 3.880 3.960 0.406 0.000 0.223 1021 G C 1.751 176.733 174.900 0.137 0.000 1.130 1021 G CA 1.738 46.893 45.100 0.093 0.000 0.758 1021 G HN 0.270 nan 8.290 nan 0.000 0.608 1022 V N 0.942 120.929 119.914 0.121 0.000 2.469 1022 V HA -0.064 4.300 4.120 0.406 0.000 0.251 1022 V C 1.433 177.659 176.094 0.219 0.000 1.064 1022 V CA 1.450 63.860 62.300 0.184 0.000 1.066 1022 V CB -0.534 31.362 31.823 0.122 0.000 0.667 1022 V HN 0.543 nan 8.190 nan 0.000 0.461 1023 E N 1.293 121.613 120.200 0.200 0.000 2.417 1023 E HA -0.036 4.557 4.350 0.406 0.000 0.261 1023 E C 0.713 177.479 176.600 0.275 0.000 1.000 1023 E CA 0.638 57.165 56.400 0.212 0.000 0.919 1023 E CB -0.746 29.047 29.700 0.154 0.000 0.955 1023 E HN 0.420 nan 8.360 nan 0.000 0.455 1024 N N 2.863 121.777 118.700 0.356 0.000 2.776 1024 N HA -0.315 4.669 4.740 0.406 0.000 0.249 1024 N C -0.813 174.768 175.510 0.119 0.000 1.111 1024 N CA 0.804 54.028 53.050 0.290 0.000 0.711 1024 N CB -0.639 38.049 38.487 0.336 0.000 1.065 1024 N HN 0.672 nan 8.380 nan 0.000 0.556 1025 Y N -1.188 119.105 120.300 -0.011 0.000 3.042 1025 Y HA 0.336 5.130 4.550 0.406 0.000 0.230 1025 Y C 0.943 176.836 175.900 -0.012 0.000 1.107 1025 Y CA 2.055 60.125 58.100 -0.050 0.000 1.346 1025 Y CB 0.448 38.907 38.460 -0.001 0.000 1.421 1025 Y HN 0.284 nan 8.280 nan 0.000 0.438 1026 G N 0.850 109.645 108.800 -0.008 0.000 2.548 1026 G HA2 -0.001 4.203 3.960 0.406 0.000 0.208 1026 G HA3 -0.001 4.203 3.960 0.406 0.000 0.208 1026 G C -1.743 173.195 174.900 0.064 0.000 1.308 1026 G CA -0.545 44.537 45.100 -0.030 0.000 0.924 1026 G HN 0.662 nan 8.290 nan 0.000 0.540 1027 V N 1.296 121.244 119.914 0.057 0.000 2.444 1027 V HA 0.451 4.814 4.120 0.406 0.000 0.294 1027 V C -0.507 175.614 176.094 0.045 0.000 1.022 1027 V CA -0.937 61.446 62.300 0.138 0.000 0.850 1027 V CB 1.677 33.617 31.823 0.194 0.000 0.992 1027 V HN 0.694 nan 8.190 nan 0.000 0.426 1028 D N 6.793 127.243 120.400 0.083 0.000 2.350 1028 D HA 0.272 5.155 4.640 0.406 0.000 0.249 1028 D C -2.189 174.119 176.300 0.012 0.000 1.119 1028 D CA -0.695 53.328 54.000 0.039 0.000 0.886 1028 D CB 1.942 42.800 40.800 0.097 0.000 1.195 1028 D HN 0.327 nan 8.370 nan 0.000 0.437 1029 P HA 0.149 nan 4.420 nan 0.000 0.279 1029 P C 0.141 177.429 177.300 -0.020 0.000 1.252 1029 P CA -0.452 62.636 63.100 -0.020 0.000 0.811 1029 P CB 1.532 33.212 31.700 -0.033 0.000 1.035 1030 D N -0.090 120.302 120.400 -0.013 0.000 2.117 1030 D HA -0.034 4.849 4.640 0.406 0.000 0.197 1030 D C 0.403 176.694 176.300 -0.016 0.000 0.987 1030 D CA 1.575 55.572 54.000 -0.006 0.000 0.829 1030 D CB 0.122 40.932 40.800 0.017 0.000 0.961 1030 D HN 0.110 nan 8.370 nan 0.000 0.460 1031 V N 1.494 121.385 119.914 -0.039 0.000 2.407 1031 V HA 0.123 4.486 4.120 0.406 0.000 0.291 1031 V C 0.037 176.035 176.094 -0.160 0.000 1.018 1031 V CA -0.836 61.397 62.300 -0.112 0.000 0.842 1031 V CB 2.333 34.050 31.823 -0.176 0.000 0.996 1031 V HN -0.055 nan 8.190 nan 0.000 0.426 1032 E N 4.773 124.893 120.200 -0.134 0.000 2.259 1032 E HA 0.453 5.047 4.350 0.406 0.000 0.281 1032 E C -1.233 175.272 176.600 -0.158 0.000 1.037 1032 E CA -0.302 56.030 56.400 -0.113 0.000 0.854 1032 E CB 0.975 30.636 29.700 -0.065 0.000 1.051 1032 E HN 0.635 nan 8.360 nan 0.000 0.409 1033 I N 5.070 125.555 120.570 -0.142 0.000 2.521 1033 I HA 0.109 4.522 4.170 0.406 0.000 0.277 1033 I C 0.025 176.105 176.117 -0.061 0.000 1.054 1033 I CA -0.518 60.693 61.300 -0.148 0.000 1.117 1033 I CB 1.322 39.182 38.000 -0.232 0.000 1.217 1033 I HN 0.360 nan 8.210 nan 0.000 0.469 1034 E N 3.490 123.690 120.200 -0.000 0.000 2.422 1034 E HA -0.019 4.575 4.350 0.406 0.000 0.260 1034 E C -1.069 175.549 176.600 0.030 0.000 1.108 1034 E CA 0.253 56.703 56.400 0.084 0.000 0.943 1034 E CB 1.100 30.927 29.700 0.212 0.000 0.961 1034 E HN 0.316 nan 8.360 nan 0.000 0.443 1035 Y N 0.939 121.184 120.300 -0.091 0.000 2.837 1035 Y HA 0.366 5.159 4.550 0.406 0.000 0.356 1035 Y C -0.117 175.583 175.900 -0.333 0.000 1.035 1035 Y CA -0.923 57.033 58.100 -0.240 0.000 1.165 1035 Y CB 0.117 38.454 38.460 -0.204 0.000 1.147 1035 Y HN 0.496 nan 8.280 nan 0.000 0.628 1036 A N 4.845 127.534 122.820 -0.218 0.000 2.366 1036 A HA 0.339 4.902 4.320 0.406 0.000 0.250 1036 A C -1.525 175.732 177.584 -0.545 0.000 1.099 1036 A CA -1.066 50.584 52.037 -0.645 0.000 0.794 1036 A CB 0.162 18.790 19.000 -0.620 0.000 1.056 1036 A HN 0.522 nan 8.150 nan 0.000 0.499 1037 P HA -0.165 nan 4.420 nan 0.000 0.216 1037 P C 0.662 177.786 177.300 -0.294 0.000 1.150 1037 P CA 2.049 64.817 63.100 -0.553 0.000 0.837 1037 P CB -0.199 30.748 31.700 -1.255 0.000 0.786 1038 H N -2.809 116.242 119.070 -0.031 0.000 2.524 1038 H HA 0.032 4.832 4.556 0.406 0.000 0.282 1038 H C 1.368 176.743 175.328 0.078 0.000 1.016 1038 H CA 0.760 56.888 56.048 0.133 0.000 1.270 1038 H CB -1.091 28.830 29.762 0.266 0.000 1.394 1038 H HN 0.082 nan 8.280 nan 0.000 0.568 1039 D N 0.740 121.013 120.400 -0.213 0.000 2.123 1039 D HA -0.136 4.748 4.640 0.406 0.000 0.200 1039 D C 1.472 177.750 176.300 -0.037 0.000 0.976 1039 D CA 1.099 55.009 54.000 -0.150 0.000 0.831 1039 D CB -0.273 40.328 40.800 -0.333 0.000 0.974 1039 D HN 0.477 nan 8.370 nan 0.000 0.469 1040 Y N 1.019 121.351 120.300 0.053 0.000 2.242 1040 Y HA -0.058 4.735 4.550 0.406 0.000 0.291 1040 Y C 2.508 178.406 175.900 -0.004 0.000 1.137 1040 Y CA 0.456 58.570 58.100 0.024 0.000 1.181 1040 Y CB -0.305 38.077 38.460 -0.129 0.000 0.989 1040 Y HN -0.089 nan 8.280 nan 0.000 0.527 1041 L N -0.453 120.857 121.223 0.144 0.000 2.191 1041 L HA -0.189 4.395 4.340 0.406 0.000 0.212 1041 L C 2.159 179.091 176.870 0.103 0.000 1.103 1041 L CA 1.552 56.461 54.840 0.115 0.000 0.769 1041 L CB -0.519 41.628 42.059 0.147 0.000 0.908 1041 L HN 0.270 nan 8.230 nan 0.000 0.438 1042 S N -1.014 114.744 115.700 0.097 0.000 2.575 1042 S HA 0.169 4.883 4.470 0.406 0.000 0.215 1042 S C 1.422 176.050 174.600 0.047 0.000 0.966 1042 S CA 0.214 58.457 58.200 0.072 0.000 0.911 1042 S CB 0.300 63.542 63.200 0.071 0.000 0.780 1042 S HN 0.467 nan 8.310 nan 0.000 0.514 1043 G N 1.577 110.411 108.800 0.056 0.000 2.273 1043 G HA2 -0.303 3.900 3.960 0.406 0.000 0.280 1043 G HA3 -0.303 3.900 3.960 0.406 0.000 0.280 1043 G C -0.246 174.650 174.900 -0.007 0.000 1.047 1043 G CA 0.670 45.794 45.100 0.039 0.000 0.869 1043 G HN 0.804 nan 8.290 nan 0.000 0.502 1044 K N -0.017 120.363 120.400 -0.032 0.000 2.371 1044 K HA 0.477 5.041 4.320 0.406 0.000 0.251 1044 K C -1.519 174.955 176.600 -0.210 0.000 0.934 1044 K CA -0.993 55.230 56.287 -0.107 0.000 0.798 1044 K CB 1.398 33.846 32.500 -0.087 0.000 1.204 1044 K HN -0.026 nan 8.250 nan 0.000 0.427 1045 D N 5.967 126.218 120.400 -0.247 0.000 2.467 1045 D HA 0.169 5.052 4.640 0.406 0.000 0.220 1045 D C -1.527 174.533 176.300 -0.399 0.000 1.103 1045 D CA -2.430 51.353 54.000 -0.362 0.000 0.886 1045 D CB 1.586 42.303 40.800 -0.138 0.000 1.025 1045 D HN 0.339 nan 8.370 nan 0.000 0.514 1046 P HA -0.171 nan 4.420 nan 0.000 0.217 1046 P C 1.145 178.331 177.300 -0.190 0.000 1.150 1046 P CA 1.069 63.958 63.100 -0.353 0.000 0.832 1046 P CB 0.652 32.096 31.700 -0.427 0.000 0.787 1047 Q N -0.441 119.215 119.800 -0.239 0.000 2.046 1047 Q HA -0.076 4.508 4.340 0.406 0.000 0.200 1047 Q C 2.443 178.482 176.000 0.065 0.000 0.975 1047 Q CA 1.043 56.822 55.803 -0.041 0.000 0.836 1047 Q CB -0.521 28.225 28.738 0.012 0.000 0.896 1047 Q HN 0.233 nan 8.270 nan 0.000 0.428 1048 I N 0.613 121.209 120.570 0.044 0.000 2.439 1048 I HA -0.247 4.166 4.170 0.406 0.000 0.251 1048 I C 1.129 177.310 176.117 0.107 0.000 1.139 1048 I CA 0.995 62.350 61.300 0.092 0.000 1.438 1048 I CB 0.091 38.118 38.000 0.045 0.000 1.085 1048 I HN 0.179 nan 8.210 nan 0.000 0.427 1049 D N -0.089 120.361 120.400 0.083 0.000 2.117 1049 D HA -0.251 4.633 4.640 0.406 0.000 0.197 1049 D C 1.812 178.158 176.300 0.076 0.000 0.987 1049 D CA 1.319 55.377 54.000 0.096 0.000 0.829 1049 D CB -0.283 40.556 40.800 0.066 0.000 0.961 1049 D HN 0.438 nan 8.370 nan 0.000 0.460 1050 Y N 1.279 121.575 120.300 -0.008 0.000 2.242 1050 Y HA -0.107 4.686 4.550 0.406 0.000 0.291 1050 Y C 2.214 178.122 175.900 0.014 0.000 1.137 1050 Y CA 1.558 59.656 58.100 -0.003 0.000 1.181 1050 Y CB -0.192 38.260 38.460 -0.015 0.000 0.989 1050 Y HN -0.057 nan 8.280 nan 0.000 0.527 1051 A N 0.665 123.588 122.820 0.172 0.000 1.883 1051 A HA -0.207 4.356 4.320 0.406 0.000 0.217 1051 A C 2.239 179.828 177.584 0.009 0.000 1.186 1051 A CA 2.198 54.304 52.037 0.116 0.000 0.624 1051 A CB -1.137 17.953 19.000 0.151 0.000 0.822 1051 A HN 0.576 nan 8.150 nan 0.000 0.444 1052 I N -0.248 120.325 120.570 0.005 0.000 2.163 1052 I HA -0.231 4.183 4.170 0.406 0.000 0.240 1052 I C 2.013 178.078 176.117 -0.087 0.000 1.081 1052 I CA 1.533 62.813 61.300 -0.032 0.000 1.353 1052 I CB -0.670 37.306 38.000 -0.041 0.000 1.054 1052 I HN 0.241 nan 8.210 nan 0.000 0.407 1053 D N 1.357 121.681 120.400 -0.127 0.000 2.116 1053 D HA -0.206 4.678 4.640 0.406 0.000 0.193 1053 D C 2.250 178.417 176.300 -0.222 0.000 0.998 1053 D CA 1.802 55.700 54.000 -0.169 0.000 0.836 1053 D CB -0.316 40.368 40.800 -0.193 0.000 0.951 1053 D HN 0.378 nan 8.370 nan 0.000 0.449 1054 A N 0.705 123.313 122.820 -0.352 0.000 1.883 1054 A HA -0.155 4.409 4.320 0.406 0.000 0.217 1054 A C 2.454 179.961 177.584 -0.127 0.000 1.186 1054 A CA 1.078 52.927 52.037 -0.313 0.000 0.624 1054 A CB -0.832 17.939 19.000 -0.382 0.000 0.822 1054 A HN 0.219 nan 8.150 nan 0.000 0.444 1055 L N -0.653 120.525 121.223 -0.075 0.000 2.056 1055 L HA -0.148 4.436 4.340 0.406 0.000 0.207 1055 L C 2.496 179.351 176.870 -0.025 0.000 1.078 1055 L CA 1.107 55.936 54.840 -0.018 0.000 0.749 1055 L CB -0.450 41.617 42.059 0.014 0.000 0.901 1055 L HN 0.401 nan 8.230 nan 0.000 0.433 1056 I N -0.152 120.391 120.570 -0.045 0.000 2.151 1056 I HA -0.331 4.082 4.170 0.406 0.000 0.243 1056 I C 2.557 178.652 176.117 -0.038 0.000 1.080 1056 I CA 1.411 62.687 61.300 -0.040 0.000 1.339 1056 I CB -0.257 37.710 38.000 -0.055 0.000 1.039 1056 I HN 0.279 nan 8.210 nan 0.000 0.409 1057 E N 1.317 121.484 120.200 -0.056 0.000 2.110 1057 E HA -0.224 4.370 4.350 0.406 0.000 0.193 1057 E C 1.940 178.524 176.600 -0.026 0.000 0.988 1057 E CA 1.441 57.814 56.400 -0.045 0.000 0.804 1057 E CB -0.053 29.609 29.700 -0.064 0.000 0.745 1057 E HN 0.443 nan 8.360 nan 0.000 0.458 1058 E N -0.901 119.286 120.200 -0.021 0.000 2.347 1058 E HA -0.066 4.528 4.350 0.406 0.000 0.196 1058 E C -0.233 176.370 176.600 0.005 0.000 1.008 1058 E CA 0.072 56.470 56.400 -0.002 0.000 0.852 1058 E CB 0.171 29.876 29.700 0.008 0.000 0.783 1058 E HN 0.123 nan 8.360 nan 0.000 0.505 1059 L N 1.569 122.794 121.223 0.003 0.000 2.449 1059 L HA 0.162 4.746 4.340 0.406 0.000 0.255 1059 L C 0.075 176.947 176.870 0.003 0.000 1.167 1059 L CA 0.414 55.260 54.840 0.010 0.000 1.090 1059 L CB 0.312 42.380 42.059 0.016 0.000 1.385 1059 L HN -0.119 nan 8.230 nan 0.000 0.411 1060 R N 1.183 121.684 120.500 0.003 0.000 2.579 1060 R HA 0.374 4.957 4.340 0.406 0.000 0.386 1060 R C -0.679 175.622 176.300 0.002 0.000 1.065 1060 R CA -0.197 55.903 56.100 -0.000 0.000 1.143 1060 R CB 0.467 30.764 30.300 -0.005 0.000 1.357 1060 R HN 0.393 nan 8.270 nan 0.000 0.644 1061 N N 0.000 118.703 118.700 0.006 0.000 1.763 1061 N HA 0.000 4.983 4.740 0.406 0.000 0.220 1061 N CA 0.000 53.054 53.050 0.007 0.000 0.885 1061 N CB 0.000 38.492 38.487 0.009 0.000 1.341 1061 N HN 0.000 nan 8.380 nan 0.000 0.667