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_G 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 -0.058 0.000 1.140 39 M CA 0.000 55.268 55.300 -0.053 0.000 0.988 39 M CB 0.000 32.569 32.600 -0.051 0.000 1.302 40 P HA 0.325 nan 4.420 nan 0.000 0.274 40 P C -1.024 176.223 177.300 -0.088 0.000 1.237 40 P CA -0.136 62.911 63.100 -0.089 0.000 0.793 40 P CB 0.819 32.460 31.700 -0.097 0.000 0.977 41 N N 0.050 118.680 118.700 -0.117 0.000 2.477 41 N HA 0.428 5.173 4.740 0.008 0.000 0.284 41 N C -0.698 174.744 175.510 -0.113 0.000 1.182 41 N CA -0.634 52.355 53.050 -0.102 0.000 0.949 41 N CB 0.259 38.666 38.487 -0.133 0.000 1.204 41 N HN 0.309 nan 8.380 nan 0.000 0.526 42 L N 1.463 122.643 121.223 -0.071 0.000 2.281 42 L HA 0.410 4.755 4.340 0.008 0.000 0.285 42 L C -1.277 175.551 176.870 -0.070 0.000 1.074 42 L CA 0.007 54.801 54.840 -0.077 0.000 0.817 42 L CB -0.058 41.975 42.059 -0.043 0.000 1.168 42 L HN 0.341 nan 8.230 nan 0.000 0.434 43 L N 6.529 127.679 121.223 -0.122 0.000 2.329 43 L HA 0.686 5.031 4.340 0.008 0.000 0.279 43 L C -0.725 176.120 176.870 -0.043 0.000 1.014 43 L CA -0.847 53.921 54.840 -0.119 0.000 0.814 43 L CB 1.517 43.344 42.059 -0.387 0.000 1.257 43 L HN 0.554 nan 8.230 nan 0.000 0.424 44 L N -0.458 120.804 121.223 0.065 0.000 2.654 44 L HA 0.494 4.839 4.340 0.008 0.000 0.257 44 L C -0.315 176.605 176.870 0.084 0.000 1.093 44 L CA -1.060 53.820 54.840 0.067 0.000 0.903 44 L CB 1.048 43.136 42.059 0.048 0.000 1.520 44 L HN 0.543 nan 8.230 nan 0.000 0.402 45 N N 0.007 118.676 118.700 -0.053 0.000 2.678 45 N HA -0.158 4.587 4.740 0.008 0.000 0.268 45 N C -2.486 173.040 175.510 0.027 0.000 1.010 45 N CA 0.399 53.177 53.050 -0.455 0.000 0.784 45 N CB -1.137 37.016 38.487 -0.557 0.000 0.905 45 N HN 0.639 nan 8.380 nan 0.000 0.552 46 P HA 0.354 nan 4.420 nan 0.000 0.281 46 P C -0.591 176.978 177.300 0.448 0.000 1.281 46 P CA 0.163 63.489 63.100 0.376 0.000 0.811 46 P CB 1.410 33.288 31.700 0.296 0.000 1.154 47 D N -0.853 119.774 120.400 0.377 0.000 2.655 47 D HA 0.573 5.218 4.640 0.008 0.000 0.229 47 D C -1.562 175.038 176.300 0.500 0.000 1.229 47 D CA -0.569 53.670 54.000 0.399 0.000 0.807 47 D CB 1.640 42.644 40.800 0.340 0.000 1.514 47 D HN 0.287 nan 8.370 nan 0.000 0.444 48 I N 1.323 122.197 120.570 0.507 0.000 2.828 48 I HA 0.594 4.769 4.170 0.008 0.000 0.302 48 I C -1.826 174.441 176.117 0.251 0.000 1.101 48 I CA -0.778 60.767 61.300 0.409 0.000 1.031 48 I CB 2.060 40.198 38.000 0.230 0.000 1.231 48 I HN 0.566 nan 8.210 nan 0.000 0.427 49 H N 4.985 123.962 119.070 -0.154 0.000 3.221 49 H HA 0.486 5.047 4.556 0.008 0.000 0.324 49 H C -0.049 175.125 175.328 -0.256 0.000 1.212 49 H CA 0.598 56.408 56.048 -0.396 0.000 1.624 49 H CB 0.742 29.862 29.762 -1.070 0.000 1.899 49 H HN 0.991 nan 8.280 nan 0.000 0.538 50 G N 3.647 112.275 108.800 -0.286 0.000 2.559 50 G HA2 -0.352 3.613 3.960 0.008 0.000 0.282 50 G HA3 -0.352 3.613 3.960 0.008 0.000 0.282 50 G C 0.551 175.428 174.900 -0.038 0.000 1.177 50 G CA 0.551 45.559 45.100 -0.153 0.000 0.960 50 G HN 0.570 nan 8.290 nan 0.000 0.540 51 D N 1.813 122.216 120.400 0.005 0.000 2.369 51 D HA 0.163 4.807 4.640 0.008 0.000 0.211 51 D C 1.245 177.603 176.300 0.096 0.000 1.077 51 D CA 0.255 54.283 54.000 0.045 0.000 0.842 51 D CB 0.261 41.081 40.800 0.033 0.000 0.947 51 D HN 0.411 nan 8.370 nan 0.000 0.509 52 R N 0.703 121.263 120.500 0.100 0.000 2.368 52 R HA 0.630 4.975 4.340 0.008 0.000 0.302 52 R C -0.087 176.394 176.300 0.302 0.000 1.002 52 R CA -0.336 55.876 56.100 0.187 0.000 0.929 52 R CB 1.961 32.362 30.300 0.169 0.000 1.073 52 R HN -0.104 nan 8.270 nan 0.000 0.464 53 I N 4.828 125.644 120.570 0.409 0.000 2.468 53 I HA 0.328 4.503 4.170 0.008 0.000 0.285 53 I C 0.059 176.480 176.117 0.506 0.000 1.039 53 I CA -0.848 60.739 61.300 0.478 0.000 1.074 53 I CB 1.811 40.039 38.000 0.379 0.000 1.228 53 I HN 0.527 nan 8.210 nan 0.000 0.436 54 I N 4.106 124.938 120.570 0.435 0.000 2.428 54 I HA 0.755 4.930 4.170 0.008 0.000 0.296 54 I C -0.906 175.368 176.117 0.262 0.000 0.985 54 I CA -0.349 61.056 61.300 0.175 0.000 1.260 54 I CB 1.428 39.353 38.000 -0.124 0.000 1.389 54 I HN 0.496 nan 8.210 nan 0.000 0.484 55 F N 3.183 123.226 119.950 0.156 0.000 2.745 55 F HA 0.810 5.342 4.527 0.008 0.000 0.316 55 F C -1.539 174.358 175.800 0.161 0.000 1.155 55 F CA -1.257 56.818 58.000 0.125 0.000 0.937 55 F CB 0.909 39.953 39.000 0.074 0.000 1.361 55 F HN 0.213 nan 8.300 nan 0.000 0.472 56 V N 1.391 121.522 119.914 0.361 0.000 2.472 56 V HA 0.575 4.700 4.120 0.008 0.000 0.290 56 V C -0.675 175.648 176.094 0.381 0.000 1.037 56 V CA -0.582 61.896 62.300 0.296 0.000 0.908 56 V CB 1.204 33.161 31.823 0.224 0.000 0.985 56 V HN 1.047 nan 8.190 nan 0.000 0.454 57 C N 4.930 124.460 119.300 0.383 0.000 2.607 57 C HA 0.521 4.986 4.460 0.008 0.000 0.350 57 C C 0.528 175.742 174.990 0.374 0.000 1.101 57 C CA -0.526 58.638 59.018 0.243 0.000 1.282 57 C CB -0.408 27.231 27.740 -0.169 0.000 1.825 57 C HN 1.172 nan 8.230 nan 0.000 0.460 58 C N 5.966 125.425 119.300 0.264 0.000 4.300 58 C HA -0.095 4.370 4.460 0.008 0.000 0.304 58 C C 0.673 175.810 174.990 0.245 0.000 1.367 58 C CA 1.402 60.575 59.018 0.258 0.000 2.032 58 C CB -2.693 25.208 27.740 0.269 0.000 1.285 58 C HN 1.141 nan 8.230 nan 0.000 0.737 59 D N -1.885 118.664 120.400 0.249 0.000 3.006 59 D HA -0.151 4.494 4.640 0.008 0.000 0.208 59 D C -0.158 176.194 176.300 0.087 0.000 1.116 59 D CA 2.168 56.263 54.000 0.157 0.000 0.998 59 D CB -0.687 40.179 40.800 0.110 0.000 1.124 59 D HN 0.736 nan 8.370 nan 0.000 0.413 60 D N -0.134 120.352 120.400 0.142 0.000 2.228 60 D HA 0.437 5.082 4.640 0.008 0.000 0.247 60 D C 0.434 176.752 176.300 0.031 0.000 0.995 60 D CA -0.577 53.430 54.000 0.012 0.000 0.903 60 D CB 1.322 42.078 40.800 -0.074 0.000 1.205 60 D HN -0.025 nan 8.370 nan 0.000 0.459 61 L N 1.727 122.840 121.223 -0.184 0.000 2.276 61 L HA 0.330 4.675 4.340 0.008 0.000 0.286 61 L C -1.118 175.514 176.870 -0.396 0.000 1.061 61 L CA -0.415 54.306 54.840 -0.199 0.000 0.807 61 L CB 0.494 42.403 42.059 -0.251 0.000 1.177 61 L HN 0.332 nan 8.230 nan 0.000 0.429 62 W N 3.523 124.494 121.300 -0.547 0.000 2.781 62 W HA 0.502 5.167 4.660 0.008 0.000 0.345 62 W C -0.240 175.908 176.519 -0.620 0.000 1.085 62 W CA -0.492 56.453 57.345 -0.665 0.000 1.198 62 W CB 1.178 30.021 29.460 -1.029 0.000 1.423 62 W HN 0.349 nan 8.180 nan 0.000 0.532 63 E N 1.848 122.023 120.200 -0.041 0.000 2.222 63 E HA 0.209 4.564 4.350 0.008 0.000 0.267 63 E C -1.502 175.279 176.600 0.302 0.000 0.884 63 E CA -0.587 55.884 56.400 0.118 0.000 0.764 63 E CB 1.540 31.320 29.700 0.134 0.000 1.169 63 E HN 0.533 nan 8.360 nan 0.000 0.413 64 H N 3.275 122.530 119.070 0.309 0.000 2.589 64 H HA 0.237 4.798 4.556 0.008 0.000 0.351 64 H C -1.650 173.806 175.328 0.214 0.000 1.074 64 H CA -0.629 55.602 56.048 0.305 0.000 1.203 64 H CB 1.893 31.896 29.762 0.402 0.000 1.558 64 H HN 0.563 nan 8.280 nan 0.000 0.522 65 D N 4.935 125.155 120.400 -0.300 0.000 2.412 65 D HA 0.138 4.783 4.640 0.008 0.000 0.224 65 D C 1.201 177.386 176.300 -0.192 0.000 1.093 65 D CA -0.448 53.464 54.000 -0.147 0.000 0.850 65 D CB 0.729 41.469 40.800 -0.099 0.000 1.046 65 D HN 0.553 nan 8.370 nan 0.000 0.507 66 L N 3.363 124.624 121.223 0.064 0.000 2.042 66 L HA -0.167 4.178 4.340 0.008 0.000 0.210 66 L C 2.390 179.287 176.870 0.046 0.000 1.076 66 L CA 1.073 55.988 54.840 0.125 0.000 0.749 66 L CB -0.362 41.768 42.059 0.119 0.000 0.893 66 L HN 0.483 nan 8.230 nan 0.000 0.432 67 K N 0.336 120.746 120.400 0.016 0.000 2.009 67 K HA -0.196 4.129 4.320 0.008 0.000 0.210 67 K C 2.199 178.796 176.600 -0.005 0.000 1.049 67 K CA 2.047 58.338 56.287 0.007 0.000 0.929 67 K CB -0.017 32.486 32.500 0.004 0.000 0.714 67 K HN 0.376 nan 8.250 nan 0.000 0.440 68 S N -1.785 113.896 115.700 -0.031 0.000 2.503 68 S HA 0.185 4.660 4.470 0.008 0.000 0.215 68 S C 1.298 175.872 174.600 -0.044 0.000 1.003 68 S CA 0.344 58.526 58.200 -0.031 0.000 0.910 68 S CB 0.701 63.882 63.200 -0.031 0.000 0.790 68 S HN 0.575 nan 8.310 nan 0.000 0.514 69 G N 1.811 110.549 108.800 -0.102 0.000 2.162 69 G HA2 -0.288 3.676 3.960 0.008 0.000 0.260 69 G HA3 -0.288 3.676 3.960 0.008 0.000 0.260 69 G C 0.156 174.976 174.900 -0.134 0.000 0.976 69 G CA 0.313 45.370 45.100 -0.073 0.000 0.655 69 G HN 1.374 nan 8.290 nan 0.000 0.533 70 S N -0.212 115.370 115.700 -0.196 0.000 2.584 70 S HA 0.736 5.210 4.470 0.008 0.000 0.273 70 S C 0.004 174.558 174.600 -0.078 0.000 1.311 70 S CA 0.593 58.747 58.200 -0.078 0.000 1.034 70 S CB 2.042 65.225 63.200 -0.029 0.000 0.939 70 S HN 0.754 nan 8.310 nan 0.000 0.513 71 T N 2.881 117.516 114.554 0.136 0.000 2.886 71 T HA 0.746 5.101 4.350 0.008 0.000 0.292 71 T C -0.542 174.363 174.700 0.342 0.000 1.012 71 T CA -0.982 61.309 62.100 0.318 0.000 0.982 71 T CB 1.253 70.393 68.868 0.454 0.000 1.018 71 T HN 0.935 nan 8.240 nan 0.000 0.451 72 R N 0.511 121.227 120.500 0.360 0.000 2.707 72 R HA 0.613 4.958 4.340 0.008 0.000 0.272 72 R C -1.296 174.983 176.300 -0.034 0.000 1.011 72 R CA -1.278 54.951 56.100 0.215 0.000 0.893 72 R CB 1.750 32.092 30.300 0.070 0.000 1.233 72 R HN 0.464 nan 8.270 nan 0.000 0.464 73 K N 2.984 123.049 120.400 -0.557 0.000 2.312 73 K HA 0.203 4.528 4.320 0.008 0.000 0.287 73 K C 0.532 176.810 176.600 -0.537 0.000 1.062 73 K CA -0.507 55.135 56.287 -1.074 0.000 0.934 73 K CB 0.617 32.258 32.500 -1.432 0.000 1.027 73 K HN 0.804 nan 8.250 nan 0.000 0.478 74 I N 1.809 122.087 120.570 -0.487 0.000 3.968 74 I HA 0.198 4.373 4.170 0.008 0.000 0.328 74 I C -0.301 175.498 176.117 -0.530 0.000 1.290 74 I CA -0.487 60.577 61.300 -0.394 0.000 1.163 74 I CB 0.990 38.777 38.000 -0.354 0.000 1.024 74 I HN 0.242 nan 8.210 nan 0.000 0.413 75 V N 1.309 120.920 119.914 -0.506 0.000 2.851 75 V HA 0.647 4.772 4.120 0.008 0.000 0.290 75 V C -1.013 174.878 176.094 -0.338 0.000 1.330 75 V CA 0.483 62.531 62.300 -0.420 0.000 0.944 75 V CB 1.742 33.254 31.823 -0.519 0.000 1.090 75 V HN 0.536 nan 8.190 nan 0.000 0.436 76 S N 3.939 119.489 115.700 -0.250 0.000 2.752 76 S HA 0.648 5.122 4.470 0.008 0.000 0.284 76 S C 0.066 174.577 174.600 -0.147 0.000 1.189 76 S CA -0.020 58.059 58.200 -0.201 0.000 0.835 76 S CB 1.465 64.539 63.200 -0.210 0.000 1.192 76 S HN 2.278 nan 8.310 nan 0.000 0.506 77 N N -0.810 117.822 118.700 -0.112 0.000 2.714 77 N HA -0.143 4.602 4.740 0.008 0.000 0.250 77 N C 0.084 175.527 175.510 -0.112 0.000 1.117 77 N CA 1.210 54.206 53.050 -0.089 0.000 0.719 77 N CB -1.709 36.736 38.487 -0.071 0.000 1.081 77 N HN 0.648 nan 8.380 nan 0.000 0.557 78 L N -2.081 119.050 121.223 -0.154 0.000 2.515 78 L HA 0.414 4.758 4.340 0.008 0.000 0.223 78 L C 1.521 178.283 176.870 -0.180 0.000 1.079 78 L CA 0.603 55.312 54.840 -0.219 0.000 0.857 78 L CB 0.026 41.866 42.059 -0.366 0.000 1.050 78 L HN 0.487 nan 8.230 nan 0.000 0.476 79 G N -0.540 108.181 108.800 -0.132 0.000 2.270 79 G HA2 -0.091 3.874 3.960 0.008 0.000 0.268 79 G HA3 -0.091 3.874 3.960 0.008 0.000 0.268 79 G C -1.171 173.675 174.900 -0.089 0.000 1.312 79 G CA -0.679 44.357 45.100 -0.106 0.000 1.050 79 G HN -0.281 nan 8.290 nan 0.000 0.474 80 V N 1.157 121.011 119.914 -0.099 0.000 2.432 80 V HA 0.492 4.617 4.120 0.008 0.000 0.271 80 V C 0.652 176.632 176.094 -0.190 0.000 1.046 80 V CA -0.105 62.098 62.300 -0.160 0.000 0.945 80 V CB 0.828 32.494 31.823 -0.263 0.000 0.992 80 V HN 0.551 nan 8.190 nan 0.000 0.471 81 I N 5.099 125.582 120.570 -0.145 0.000 2.336 81 I HA 0.334 4.509 4.170 0.008 0.000 0.292 81 I C 0.899 176.963 176.117 -0.089 0.000 0.991 81 I CA -0.146 61.099 61.300 -0.092 0.000 1.227 81 I CB 1.223 39.192 38.000 -0.052 0.000 1.366 81 I HN 0.843 nan 8.210 nan 0.000 0.466 82 N N 3.361 122.026 118.700 -0.058 0.000 2.181 82 N HA 0.133 4.878 4.740 0.008 0.000 0.207 82 N C -0.070 175.496 175.510 0.092 0.000 1.182 82 N CA -0.427 52.644 53.050 0.035 0.000 0.893 82 N CB 0.505 39.011 38.487 0.032 0.000 1.032 82 N HN 0.546 nan 8.380 nan 0.000 0.513 83 N N -0.020 118.740 118.700 0.101 0.000 2.446 83 N HA 0.605 5.350 4.740 0.008 0.000 0.272 83 N C -2.210 173.395 175.510 0.157 0.000 1.127 83 N CA -0.486 52.672 53.050 0.180 0.000 0.896 83 N CB 2.254 40.891 38.487 0.251 0.000 1.658 83 N HN 0.280 nan 8.380 nan 0.000 0.483 84 A N 2.269 125.201 122.820 0.188 0.000 2.488 84 A HA 0.824 5.149 4.320 0.008 0.000 0.298 84 A C -1.379 176.292 177.584 0.145 0.000 1.044 84 A CA -0.699 51.410 52.037 0.121 0.000 0.693 84 A CB 1.384 20.396 19.000 0.019 0.000 1.272 84 A HN 0.497 nan 8.150 nan 0.000 0.402 85 R N 1.529 122.120 120.500 0.153 0.000 2.514 85 R HA 0.369 4.714 4.340 0.008 0.000 0.296 85 R C -1.480 174.953 176.300 0.223 0.000 1.012 85 R CA -0.392 55.848 56.100 0.233 0.000 0.897 85 R CB 1.176 31.698 30.300 0.369 0.000 1.184 85 R HN 0.689 nan 8.270 nan 0.000 0.440 86 F N 2.258 122.333 119.950 0.208 0.000 2.563 86 F HA 0.105 4.637 4.527 0.008 0.000 0.363 86 F C 1.000 176.673 175.800 -0.211 0.000 1.123 86 F CA 0.375 58.428 58.000 0.089 0.000 1.307 86 F CB 0.413 39.454 39.000 0.068 0.000 1.115 86 F HN 0.330 nan 8.300 nan 0.000 0.592 87 F N 4.762 124.597 119.950 -0.191 0.000 2.375 87 F HA 0.180 4.712 4.527 0.008 0.000 0.313 87 F C -0.859 174.654 175.800 -0.478 0.000 1.176 87 F CA -1.708 55.902 58.000 -0.650 0.000 1.142 87 F CB -0.007 38.799 39.000 -0.324 0.000 1.275 87 F HN 0.293 nan 8.300 nan 0.000 0.544 88 P HA -0.267 nan 4.420 nan 0.000 0.213 88 P C 0.847 178.144 177.300 -0.005 0.000 1.176 88 P CA 2.364 65.402 63.100 -0.102 0.000 0.919 88 P CB -0.246 31.425 31.700 -0.048 0.000 0.791 89 D N -0.798 119.588 120.400 -0.023 0.000 2.311 89 D HA -0.069 4.576 4.640 0.008 0.000 0.212 89 D C 1.506 177.661 176.300 -0.243 0.000 0.972 89 D CA 1.398 55.363 54.000 -0.059 0.000 0.887 89 D CB -1.413 39.350 40.800 -0.063 0.000 0.915 89 D HN 0.447 nan 8.370 nan 0.000 0.497 90 G N -0.044 108.511 108.800 -0.410 0.000 2.143 90 G HA2 -0.329 3.636 3.960 0.008 0.000 0.248 90 G HA3 -0.329 3.636 3.960 0.008 0.000 0.248 90 G C 1.118 175.832 174.900 -0.310 0.000 0.991 90 G CA 0.469 45.035 45.100 -0.890 0.000 0.689 90 G HN 0.348 nan 8.290 nan 0.000 0.522 91 R N -0.185 120.233 120.500 -0.136 0.000 2.076 91 R HA 0.215 4.560 4.340 0.008 0.000 0.203 91 R C 1.295 177.541 176.300 -0.091 0.000 1.229 91 R CA 0.821 56.860 56.100 -0.102 0.000 1.094 91 R CB -0.337 29.873 30.300 -0.149 0.000 0.991 91 R HN 0.445 nan 8.270 nan 0.000 0.471 92 K N 1.098 121.361 120.400 -0.228 0.000 2.126 92 K HA 0.467 4.791 4.320 0.008 0.000 0.257 92 K C -0.119 176.490 176.600 0.016 0.000 1.007 92 K CA -0.074 55.977 56.287 -0.393 0.000 0.928 92 K CB 1.062 32.854 32.500 -1.180 0.000 1.013 92 K HN -0.013 nan 8.250 nan 0.000 0.473 93 I N 1.290 121.938 120.570 0.129 0.000 2.512 93 I HA 0.247 4.422 4.170 0.008 0.000 0.287 93 I C -0.717 175.660 176.117 0.433 0.000 1.069 93 I CA -0.936 60.565 61.300 0.335 0.000 1.056 93 I CB 2.071 40.174 38.000 0.171 0.000 1.229 93 I HN 0.613 nan 8.210 nan 0.000 0.429 94 A N 7.800 130.938 122.820 0.530 0.000 2.366 94 A HA 0.804 5.128 4.320 0.008 0.000 0.272 94 A C -0.477 177.307 177.584 0.334 0.000 1.135 94 A CA -0.076 52.267 52.037 0.510 0.000 0.804 94 A CB 0.256 19.489 19.000 0.389 0.000 1.064 94 A HN 0.671 nan 8.150 nan 0.000 0.499 95 I N 1.812 122.582 120.570 0.332 0.000 2.545 95 I HA 0.439 4.613 4.170 0.008 0.000 0.292 95 I C 0.178 176.405 176.117 0.183 0.000 1.040 95 I CA -0.561 60.866 61.300 0.211 0.000 1.068 95 I CB 2.102 40.204 38.000 0.169 0.000 1.251 95 I HN 0.791 nan 8.210 nan 0.000 0.424 96 R N 5.529 126.103 120.500 0.124 0.000 2.295 96 R HA 0.729 5.074 4.340 0.008 0.000 0.324 96 R C -1.770 174.565 176.300 0.057 0.000 0.968 96 R CA -0.411 55.744 56.100 0.091 0.000 0.837 96 R CB 1.813 32.163 30.300 0.082 0.000 1.133 96 R HN 0.522 nan 8.270 nan 0.000 0.450 97 V N 6.144 126.104 119.914 0.076 0.000 2.656 97 V HA 0.500 4.625 4.120 0.008 0.000 0.307 97 V C -0.869 175.332 176.094 0.179 0.000 1.051 97 V CA -0.847 61.495 62.300 0.071 0.000 0.893 97 V CB 2.123 33.958 31.823 0.020 0.000 0.999 97 V HN 0.901 nan 8.190 nan 0.000 0.426 98 M N 6.137 125.776 119.600 0.065 0.000 2.423 98 M HA 0.681 5.166 4.480 0.008 0.000 0.335 98 M C -0.244 176.058 176.300 0.004 0.000 1.177 98 M CA -0.384 54.953 55.300 0.062 0.000 1.038 98 M CB 1.996 34.539 32.600 -0.095 0.000 1.641 98 M HN 0.603 nan 8.290 nan 0.000 0.455 99 R N 0.140 120.625 120.500 -0.025 0.000 2.799 99 R HA 0.813 5.158 4.340 0.008 0.000 0.270 99 R C -1.050 175.185 176.300 -0.108 0.000 1.010 99 R CA -0.836 55.153 56.100 -0.185 0.000 0.916 99 R CB 2.450 32.395 30.300 -0.591 0.000 1.228 99 R HN 0.944 nan 8.270 nan 0.000 0.469 100 G N 0.194 108.932 108.800 -0.102 0.000 2.911 100 G HA2 -0.222 3.743 3.960 0.008 0.000 0.686 100 G HA3 -0.222 3.743 3.960 0.008 0.000 0.686 100 G C 0.519 175.421 174.900 0.003 0.000 1.136 100 G CA -0.167 44.905 45.100 -0.047 0.000 0.764 100 G HN 0.707 nan 8.290 nan 0.000 0.626 101 S N 0.355 116.076 115.700 0.035 0.000 2.400 101 S HA -0.154 4.321 4.470 0.008 0.000 0.234 101 S C 1.955 176.677 174.600 0.203 0.000 1.049 101 S CA 2.367 60.632 58.200 0.109 0.000 1.039 101 S CB -0.086 63.168 63.200 0.090 0.000 0.856 101 S HN 1.396 nan 8.310 nan 0.000 0.465 102 S N 0.967 116.738 115.700 0.119 0.000 2.575 102 S HA 0.482 4.957 4.470 0.008 0.000 0.237 102 S C 0.249 174.769 174.600 -0.132 0.000 0.975 102 S CA -0.262 57.992 58.200 0.089 0.000 0.960 102 S CB -0.489 62.749 63.200 0.063 0.000 0.822 102 S HN 0.553 nan 8.310 nan 0.000 0.472 103 L N 1.498 122.653 121.223 -0.114 0.000 3.678 103 L HA -0.312 4.033 4.340 0.008 0.000 0.425 103 L C 0.883 177.669 176.870 -0.140 0.000 1.240 103 L CA 0.497 55.235 54.840 -0.170 0.000 0.876 103 L CB -2.365 39.492 42.059 -0.337 0.000 1.766 103 L HN 0.504 nan 8.230 nan 0.000 0.917 104 N N -0.887 117.764 118.700 -0.082 0.000 2.457 104 N HA -0.020 4.725 4.740 0.008 0.000 0.180 104 N C 0.669 176.161 175.510 -0.030 0.000 1.050 104 N CA 0.839 53.849 53.050 -0.066 0.000 0.906 104 N CB 0.151 38.613 38.487 -0.041 0.000 0.968 104 N HN 0.635 nan 8.380 nan 0.000 0.445 105 T N -3.467 111.096 114.554 0.014 0.000 2.916 105 T HA 0.837 5.192 4.350 0.008 0.000 0.292 105 T C -0.979 173.842 174.700 0.201 0.000 1.055 105 T CA -0.774 61.389 62.100 0.104 0.000 1.009 105 T CB 2.226 71.195 68.868 0.170 0.000 1.118 105 T HN 0.209 nan 8.240 nan 0.000 0.497 106 A N 1.365 124.302 122.820 0.194 0.000 2.594 106 A HA 0.807 5.132 4.320 0.008 0.000 0.295 106 A C -1.701 175.746 177.584 -0.228 0.000 1.071 106 A CA -0.716 51.395 52.037 0.123 0.000 0.685 106 A CB 1.750 20.773 19.000 0.037 0.000 1.285 106 A HN 0.860 nan 8.150 nan 0.000 0.405 107 D N -0.381 119.734 120.400 -0.475 0.000 2.639 107 D HA 0.546 5.191 4.640 0.008 0.000 0.271 107 D C -1.267 174.855 176.300 -0.295 0.000 1.254 107 D CA -0.224 53.393 54.000 -0.637 0.000 0.810 107 D CB 1.686 41.694 40.800 -1.320 0.000 1.351 107 D HN 0.482 nan 8.370 nan 0.000 0.427 108 L N 0.973 122.040 121.223 -0.259 0.000 2.325 108 L HA 0.531 4.875 4.340 0.008 0.000 0.278 108 L C -0.885 175.953 176.870 -0.053 0.000 1.023 108 L CA -0.711 54.107 54.840 -0.038 0.000 0.811 108 L CB 0.952 43.010 42.059 -0.002 0.000 1.249 108 L HN 0.270 nan 8.230 nan 0.000 0.431 109 Y N 0.940 121.241 120.300 0.001 0.000 2.570 109 Y HA 0.545 5.100 4.550 0.008 0.000 0.345 109 Y C -0.504 175.610 175.900 0.357 0.000 1.014 109 Y CA -0.741 57.399 58.100 0.066 0.000 1.063 109 Y CB 2.128 40.638 38.460 0.083 0.000 1.272 109 Y HN 0.283 nan 8.280 nan 0.000 0.477 110 F N 1.325 121.428 119.950 0.256 0.000 2.492 110 F HA 0.396 4.928 4.527 0.008 0.000 0.327 110 F C -1.151 174.798 175.800 0.249 0.000 1.079 110 F CA -1.127 57.008 58.000 0.226 0.000 0.967 110 F CB 1.854 40.917 39.000 0.105 0.000 1.169 110 F HN 0.392 nan 8.300 nan 0.000 0.472 111 Y N 3.523 123.955 120.300 0.220 0.000 2.373 111 Y HA 0.306 4.861 4.550 0.008 0.000 0.336 111 Y C -1.134 174.764 175.900 -0.004 0.000 0.979 111 Y CA -1.187 56.972 58.100 0.099 0.000 1.080 111 Y CB 1.191 39.689 38.460 0.065 0.000 1.190 111 Y HN 0.456 nan 8.280 nan 0.000 0.446 112 N N 3.805 122.080 118.700 -0.708 0.000 2.546 112 N HA 0.205 4.949 4.740 0.008 0.000 0.238 112 N C 0.841 175.847 175.510 -0.841 0.000 0.984 112 N CA 0.503 53.201 53.050 -0.586 0.000 0.935 112 N CB 1.539 39.829 38.487 -0.329 0.000 1.122 112 N HN 1.093 nan 8.380 nan 0.000 0.510 113 G N 2.242 110.652 108.800 -0.650 0.000 2.501 113 G HA2 -0.253 3.712 3.960 0.008 0.000 0.220 113 G HA3 -0.253 3.712 3.960 0.008 0.000 0.220 113 G C 1.082 175.871 174.900 -0.184 0.000 1.114 113 G CA 0.547 45.445 45.100 -0.336 0.000 0.757 113 G HN 0.704 nan 8.290 nan 0.000 0.559 114 E N 1.515 121.597 120.200 -0.197 0.000 2.016 114 E HA -0.152 4.203 4.350 0.008 0.000 0.190 114 E C 2.185 178.721 176.600 -0.107 0.000 0.985 114 E CA 1.496 57.823 56.400 -0.122 0.000 0.802 114 E CB -0.043 29.586 29.700 -0.118 0.000 0.762 114 E HN 0.520 nan 8.360 nan 0.000 0.448 115 N N -1.132 117.486 118.700 -0.136 0.000 2.282 115 N HA 0.115 4.860 4.740 0.008 0.000 0.185 115 N C 0.923 176.381 175.510 -0.086 0.000 1.099 115 N CA 0.766 53.762 53.050 -0.091 0.000 0.878 115 N CB 0.793 39.234 38.487 -0.076 0.000 0.993 115 N HN 0.279 nan 8.380 nan 0.000 0.481 116 G N 0.178 108.872 108.800 -0.177 0.000 2.149 116 G HA2 -0.325 3.639 3.960 0.008 0.000 0.235 116 G HA3 -0.325 3.639 3.960 0.008 0.000 0.235 116 G C -0.468 174.421 174.900 -0.018 0.000 1.018 116 G CA 0.224 45.272 45.100 -0.088 0.000 0.728 116 G HN 0.663 nan 8.290 nan 0.000 0.508 117 E N -0.343 119.784 120.200 -0.122 0.000 2.313 117 E HA 0.577 4.931 4.350 0.008 0.000 0.276 117 E C -0.129 176.519 176.600 0.079 0.000 1.031 117 E CA -0.824 55.569 56.400 -0.011 0.000 0.857 117 E CB 0.625 30.305 29.700 -0.033 0.000 1.040 117 E HN 0.291 nan 8.360 nan 0.000 0.408 118 I N 3.612 124.288 120.570 0.177 0.000 2.693 118 I HA 0.456 4.631 4.170 0.008 0.000 0.303 118 I C -1.280 174.983 176.117 0.245 0.000 1.025 118 I CA -0.452 61.020 61.300 0.287 0.000 1.086 118 I CB 1.523 39.695 38.000 0.286 0.000 1.268 118 I HN 0.582 nan 8.210 nan 0.000 0.440 119 K N 5.326 125.904 120.400 0.295 0.000 2.579 119 K HA 0.326 4.651 4.320 0.008 0.000 0.257 119 K C -1.304 175.154 176.600 -0.236 0.000 0.950 119 K CA -0.745 55.589 56.287 0.078 0.000 0.862 119 K CB 1.128 33.659 32.500 0.052 0.000 1.317 119 K HN 0.687 nan 8.250 nan 0.000 0.436 120 R N 5.120 125.237 120.500 -0.638 0.000 2.442 120 R HA 0.158 4.503 4.340 0.008 0.000 0.291 120 R C 0.579 176.483 176.300 -0.660 0.000 1.069 120 R CA -0.204 55.168 56.100 -1.214 0.000 1.022 120 R CB 0.438 30.011 30.300 -1.210 0.000 0.976 120 R HN 0.581 nan 8.270 nan 0.000 0.443 121 I N 2.229 122.397 120.570 -0.670 0.000 3.172 121 I HA -0.007 4.168 4.170 0.008 0.000 0.278 121 I C 1.003 176.913 176.117 -0.344 0.000 1.174 121 I CA 0.820 61.812 61.300 -0.512 0.000 1.445 121 I CB -0.550 37.023 38.000 -0.711 0.000 1.175 121 I HN 0.663 nan 8.210 nan 0.000 0.447 122 T N -1.615 112.615 114.554 -0.541 0.000 2.829 122 T HA 0.502 4.857 4.350 0.008 0.000 0.280 122 T C -0.847 173.343 174.700 -0.849 0.000 0.999 122 T CA -0.320 61.361 62.100 -0.698 0.000 0.983 122 T CB 1.623 70.044 68.868 -0.745 0.000 0.968 122 T HN 0.040 nan 8.240 nan 0.000 0.446 123 Y N 2.295 122.163 120.300 -0.720 0.000 2.557 123 Y HA 0.432 4.987 4.550 0.008 0.000 0.352 123 Y C 0.430 176.182 175.900 -0.247 0.000 0.918 123 Y CA -1.709 56.177 58.100 -0.358 0.000 1.232 123 Y CB -0.267 38.104 38.460 -0.147 0.000 1.235 123 Y HN 0.781 nan 8.280 nan 0.000 0.596 124 F N -1.497 118.347 119.950 -0.177 0.000 2.656 124 F HA 0.019 4.551 4.527 0.008 0.000 0.291 124 F C 1.630 177.348 175.800 -0.137 0.000 1.122 124 F CA 0.201 58.081 58.000 -0.200 0.000 1.427 124 F CB 0.374 39.171 39.000 -0.339 0.000 1.125 124 F HN 0.123 nan 8.300 nan 0.000 0.583 125 S N 1.321 117.030 115.700 0.015 0.000 3.614 125 S HA -0.158 4.317 4.470 0.008 0.000 0.360 125 S C 0.641 175.260 174.600 0.032 0.000 1.023 125 S CA 0.016 58.242 58.200 0.042 0.000 1.114 125 S CB -1.650 61.616 63.200 0.110 0.000 0.907 125 S HN 0.611 nan 8.310 nan 0.000 0.470 126 G N 1.418 110.219 108.800 0.003 0.000 2.368 126 G HA2 0.195 4.160 3.960 0.008 0.000 0.233 126 G HA3 0.195 4.160 3.960 0.008 0.000 0.233 126 G C -0.077 174.816 174.900 -0.012 0.000 1.267 126 G CA -0.126 44.964 45.100 -0.016 0.000 0.873 126 G HN 0.682 nan 8.290 nan 0.000 0.539 127 K N 0.860 121.241 120.400 -0.031 0.000 2.322 127 K HA 0.410 4.734 4.320 0.008 0.000 0.283 127 K C 0.351 176.899 176.600 -0.087 0.000 1.042 127 K CA 0.024 56.279 56.287 -0.053 0.000 0.958 127 K CB 0.931 33.390 32.500 -0.067 0.000 0.984 127 K HN 0.646 nan 8.250 nan 0.000 0.473 128 S N 0.481 116.105 115.700 -0.128 0.000 2.588 128 S HA 0.643 5.118 4.470 0.008 0.000 0.275 128 S C -0.658 173.792 174.600 -0.249 0.000 1.130 128 S CA -0.886 57.186 58.200 -0.213 0.000 0.855 128 S CB 1.938 65.048 63.200 -0.151 0.000 1.116 128 S HN 0.639 nan 8.310 nan 0.000 0.472 129 T N -2.147 112.205 114.554 -0.336 0.000 2.883 129 T HA 0.681 5.036 4.350 0.008 0.000 0.301 129 T C 1.290 175.806 174.700 -0.306 0.000 1.158 129 T CA -0.293 61.619 62.100 -0.315 0.000 1.007 129 T CB 0.912 69.559 68.868 -0.368 0.000 1.186 129 T HN 1.153 nan 8.240 nan 0.000 0.499 130 G N 1.590 110.243 108.800 -0.244 0.000 2.529 130 G HA2 -0.307 3.658 3.960 0.008 0.000 0.219 130 G HA3 -0.307 3.658 3.960 0.008 0.000 0.219 130 G C 1.510 176.295 174.900 -0.192 0.000 1.177 130 G CA 1.252 46.252 45.100 -0.167 0.000 0.773 130 G HN 1.018 nan 8.290 nan 0.000 0.573 131 R N -0.081 120.227 120.500 -0.320 0.000 2.092 131 R HA 0.059 4.404 4.340 0.008 0.000 0.231 131 R C 0.730 176.805 176.300 -0.376 0.000 1.119 131 R CA 0.822 56.714 56.100 -0.347 0.000 0.970 131 R CB -0.151 29.789 30.300 -0.601 0.000 0.864 131 R HN 0.210 nan 8.270 nan 0.000 0.440 132 R N 1.230 121.371 120.500 -0.598 0.000 2.477 132 R HA 0.323 4.668 4.340 0.008 0.000 0.285 132 R C -0.532 175.179 176.300 -0.981 0.000 1.415 132 R CA -0.192 55.255 56.100 -1.088 0.000 1.446 132 R CB 1.177 30.581 30.300 -1.494 0.000 1.110 132 R HN 0.124 nan 8.270 nan 0.000 0.590 133 M N 3.305 122.596 119.600 -0.516 0.000 3.422 133 M HA 0.232 4.717 4.480 0.008 0.000 0.248 133 M C -0.283 176.018 176.300 0.002 0.000 1.433 133 M CA 0.357 55.523 55.300 -0.225 0.000 1.592 133 M CB -0.329 32.227 32.600 -0.074 0.000 1.078 133 M HN 0.316 nan 8.290 nan 0.000 0.578 134 F N 0.503 120.356 119.950 -0.163 0.000 2.426 134 F HA 0.147 4.679 4.527 0.008 0.000 0.309 134 F C 1.318 177.059 175.800 -0.097 0.000 1.246 134 F CA -0.520 57.397 58.000 -0.139 0.000 1.229 134 F CB 0.603 39.504 39.000 -0.165 0.000 1.255 134 F HN 0.390 nan 8.300 nan 0.000 0.558 135 T N 1.220 115.828 114.554 0.091 0.000 2.995 135 T HA -0.163 4.192 4.350 0.008 0.000 0.456 135 T C -0.958 173.761 174.700 0.031 0.000 0.777 135 T CA 0.120 62.230 62.100 0.018 0.000 2.404 135 T CB -0.994 67.877 68.868 0.006 0.000 1.682 135 T HN 0.657 nan 8.240 nan 0.000 0.624 136 D N -0.067 120.348 120.400 0.024 0.000 2.744 136 D HA 0.598 5.243 4.640 0.008 0.000 0.304 136 D C -0.357 175.948 176.300 0.009 0.000 1.179 136 D CA -0.580 53.441 54.000 0.036 0.000 1.024 136 D CB 1.714 42.548 40.800 0.056 0.000 1.453 136 D HN 0.234 nan 8.370 nan 0.000 0.529 137 V N 1.335 121.253 119.914 0.007 0.000 2.530 137 V HA 0.496 4.620 4.120 0.008 0.000 0.282 137 V C 1.090 177.116 176.094 -0.113 0.000 1.048 137 V CA 0.458 62.719 62.300 -0.065 0.000 0.997 137 V CB 0.986 32.775 31.823 -0.056 0.000 0.987 137 V HN 0.709 nan 8.190 nan 0.000 0.477 138 A N 3.482 126.212 122.820 -0.149 0.000 2.014 138 A HA 0.709 5.034 4.320 0.008 0.000 0.210 138 A C 1.014 178.551 177.584 -0.079 0.000 1.188 138 A CA 0.876 52.838 52.037 -0.126 0.000 0.731 138 A CB 0.159 19.110 19.000 -0.082 0.000 0.858 138 A HN 1.377 nan 8.150 nan 0.000 0.464 139 G N -2.097 106.583 108.800 -0.201 0.000 2.333 139 G HA2 0.417 4.382 3.960 0.008 0.000 0.288 139 G HA3 0.417 4.382 3.960 0.008 0.000 0.288 139 G C -1.607 173.013 174.900 -0.466 0.000 1.286 139 G CA -0.742 44.278 45.100 -0.132 0.000 0.865 139 G HN 0.269 nan 8.290 nan 0.000 0.506 140 F N 1.186 121.230 119.950 0.156 0.000 2.565 140 F HA 0.539 5.071 4.527 0.008 0.000 0.313 140 F C 0.014 175.854 175.800 0.067 0.000 1.091 140 F CA -0.614 57.425 58.000 0.066 0.000 0.915 140 F CB 2.270 41.254 39.000 -0.027 0.000 1.208 140 F HN 0.659 nan 8.300 nan 0.000 0.453 141 D N 1.733 122.164 120.400 0.052 0.000 2.383 141 D HA 0.292 4.937 4.640 0.008 0.000 0.248 141 D C -2.190 173.876 176.300 -0.390 0.000 1.170 141 D CA -2.100 51.621 54.000 -0.464 0.000 0.977 141 D CB 0.480 41.127 40.800 -0.255 0.000 1.120 141 D HN 0.142 nan 8.370 nan 0.000 0.481 142 P HA -0.149 nan 4.420 nan 0.000 0.216 142 P C 0.400 177.637 177.300 -0.106 0.000 1.157 142 P CA 1.323 64.266 63.100 -0.261 0.000 0.880 142 P CB 0.047 31.608 31.700 -0.232 0.000 0.791 143 D N -1.948 118.400 120.400 -0.087 0.000 2.403 143 D HA 0.029 4.674 4.640 0.008 0.000 0.227 143 D C 1.548 177.868 176.300 0.034 0.000 0.995 143 D CA 1.438 55.429 54.000 -0.014 0.000 0.928 143 D CB -0.782 40.018 40.800 -0.001 0.000 0.887 143 D HN 0.235 nan 8.370 nan 0.000 0.529 144 G N 0.395 109.225 108.800 0.050 0.000 2.157 144 G HA2 -0.303 3.662 3.960 0.008 0.000 0.248 144 G HA3 -0.303 3.662 3.960 0.008 0.000 0.248 144 G C 0.124 175.171 174.900 0.244 0.000 0.979 144 G CA -0.215 44.960 45.100 0.126 0.000 0.650 144 G HN 0.391 nan 8.290 nan 0.000 0.529 145 N N -0.088 118.730 118.700 0.196 0.000 2.529 145 N HA 0.518 5.263 4.740 0.008 0.000 0.278 145 N C 0.112 175.759 175.510 0.228 0.000 1.146 145 N CA -0.581 52.609 53.050 0.234 0.000 0.980 145 N CB 1.281 39.857 38.487 0.149 0.000 1.124 145 N HN 0.322 nan 8.380 nan 0.000 0.458 146 L N 3.402 124.751 121.223 0.210 0.000 2.367 146 L HA 0.385 4.730 4.340 0.008 0.000 0.275 146 L C -0.982 175.866 176.870 -0.036 0.000 1.129 146 L CA 0.295 55.085 54.840 -0.083 0.000 0.839 146 L CB 0.157 42.241 42.059 0.041 0.000 1.133 146 L HN 0.473 nan 8.230 nan 0.000 0.453 147 I N 6.777 127.246 120.570 -0.169 0.000 2.406 147 I HA 0.392 4.567 4.170 0.008 0.000 0.290 147 I C -0.106 175.986 176.117 -0.042 0.000 0.999 147 I CA -0.627 60.665 61.300 -0.012 0.000 1.124 147 I CB 1.457 39.482 38.000 0.041 0.000 1.289 147 I HN 0.655 nan 8.210 nan 0.000 0.441 148 I N 2.128 122.744 120.570 0.077 0.000 2.750 148 I HA 0.664 4.839 4.170 0.008 0.000 0.308 148 I C -0.202 175.960 176.117 0.075 0.000 1.016 148 I CA -0.488 60.853 61.300 0.067 0.000 1.098 148 I CB 2.089 40.171 38.000 0.136 0.000 1.279 148 I HN 0.443 nan 8.210 nan 0.000 0.454 149 S N 2.355 118.060 115.700 0.009 0.000 2.456 149 S HA 0.687 5.162 4.470 0.008 0.000 0.316 149 S C -0.586 173.978 174.600 -0.059 0.000 1.089 149 S CA -0.210 57.966 58.200 -0.041 0.000 1.101 149 S CB 0.868 64.002 63.200 -0.110 0.000 0.995 149 S HN 0.921 nan 8.310 nan 0.000 0.468 150 T N 2.212 116.724 114.554 -0.069 0.000 2.942 150 T HA 0.343 4.697 4.350 0.008 0.000 0.327 150 T C -0.709 173.855 174.700 -0.226 0.000 1.360 150 T CA -0.623 61.373 62.100 -0.172 0.000 1.055 150 T CB 1.265 69.976 68.868 -0.263 0.000 1.261 150 T HN 0.732 nan 8.240 nan 0.000 0.485 151 D N 2.107 122.347 120.400 -0.266 0.000 2.369 151 D HA 0.181 4.826 4.640 0.008 0.000 0.211 151 D C 1.731 177.837 176.300 -0.324 0.000 1.077 151 D CA 0.252 54.084 54.000 -0.281 0.000 0.842 151 D CB 0.035 40.695 40.800 -0.233 0.000 0.947 151 D HN 0.520 nan 8.370 nan 0.000 0.509 152 A N 0.845 123.415 122.820 -0.417 0.000 1.948 152 A HA -0.155 4.170 4.320 0.008 0.000 0.220 152 A C 1.896 179.163 177.584 -0.529 0.000 1.177 152 A CA 1.313 53.054 52.037 -0.493 0.000 0.636 152 A CB -0.354 18.195 19.000 -0.751 0.000 0.815 152 A HN 0.186 nan 8.150 nan 0.000 0.449 153 M N -0.186 119.064 119.600 -0.582 0.000 2.475 153 M HA 0.235 4.720 4.480 0.008 0.000 0.283 153 M C -0.265 175.812 176.300 -0.372 0.000 1.165 153 M CA 0.067 55.084 55.300 -0.472 0.000 0.976 153 M CB 0.617 32.933 32.600 -0.472 0.000 1.428 153 M HN 0.220 nan 8.290 nan 0.000 0.495 154 Q N 0.016 119.597 119.800 -0.366 0.000 2.297 154 Q HA 0.467 4.812 4.340 0.008 0.000 0.268 154 Q C -1.841 173.878 176.000 -0.469 0.000 1.045 154 Q CA -1.847 53.731 55.803 -0.376 0.000 0.861 154 Q CB 0.904 29.436 28.738 -0.344 0.000 1.344 154 Q HN -0.014 nan 8.270 nan 0.000 0.452 155 P HA -0.016 nan 4.420 nan 0.000 0.229 155 P C -0.371 176.278 177.300 -1.086 0.000 1.160 155 P CA 0.967 63.553 63.100 -0.857 0.000 0.777 155 P CB 0.349 31.397 31.700 -1.086 0.000 0.814 156 F N -0.047 119.570 119.950 -0.554 0.000 2.540 156 F HA 0.238 4.770 4.527 0.008 0.000 0.317 156 F C 1.957 177.513 175.800 -0.407 0.000 1.104 156 F CA -0.783 56.891 58.000 -0.543 0.000 0.913 156 F CB 1.514 39.959 39.000 -0.924 0.000 1.170 156 F HN -0.296 nan 8.300 nan 0.000 0.450 157 S N -0.109 115.553 115.700 -0.063 0.000 2.382 157 S HA -0.171 4.304 4.470 0.008 0.000 0.228 157 S C 1.709 176.304 174.600 -0.008 0.000 1.027 157 S CA 1.709 59.907 58.200 -0.002 0.000 0.991 157 S CB -0.496 62.744 63.200 0.066 0.000 0.823 157 S HN 0.564 nan 8.310 nan 0.000 0.469 158 S N 1.201 116.853 115.700 -0.081 0.000 2.474 158 S HA 0.233 4.708 4.470 0.008 0.000 0.235 158 S C 1.028 175.307 174.600 -0.534 0.000 0.997 158 S CA 0.529 58.537 58.200 -0.319 0.000 0.949 158 S CB -0.475 62.394 63.200 -0.552 0.000 0.766 158 S HN 0.531 nan 8.310 nan 0.000 0.517 159 M N 3.155 122.490 119.600 -0.440 0.000 3.759 159 M HA 0.010 4.495 4.480 0.008 0.000 0.190 159 M C 0.290 176.347 176.300 -0.405 0.000 1.478 159 M CA 0.080 55.123 55.300 -0.427 0.000 1.691 159 M CB -0.596 31.747 32.600 -0.429 0.000 1.113 159 M HN 0.113 nan 8.290 nan 0.000 0.542 160 T N -1.518 112.750 114.554 -0.477 0.000 3.462 160 T HA 0.164 4.519 4.350 0.008 0.000 0.257 160 T C 0.263 174.765 174.700 -0.330 0.000 1.015 160 T CA -0.730 61.106 62.100 -0.441 0.000 1.135 160 T CB -0.884 67.605 68.868 -0.632 0.000 1.061 160 T HN 0.367 nan 8.240 nan 0.000 0.772 161 C N 3.860 122.988 119.300 -0.286 0.000 2.657 161 C HA 0.365 4.830 4.460 0.008 0.000 0.404 161 C C 1.071 175.868 174.990 -0.322 0.000 1.291 161 C CA -1.004 57.800 59.018 -0.357 0.000 2.218 161 C CB -0.331 27.158 27.740 -0.419 0.000 2.687 161 C HN 0.766 nan 8.230 nan 0.000 0.634 162 L N 2.834 123.810 121.223 -0.412 0.000 2.305 162 L HA 0.377 4.722 4.340 0.008 0.000 0.281 162 L C -0.812 175.822 176.870 -0.393 0.000 1.085 162 L CA 0.072 54.750 54.840 -0.270 0.000 0.813 162 L CB 0.087 42.030 42.059 -0.193 0.000 1.157 162 L HN 0.647 nan 8.230 nan 0.000 0.436 163 Y N 1.823 122.121 120.300 -0.003 0.000 2.462 163 Y HA 0.433 4.988 4.550 0.008 0.000 0.346 163 Y C 0.015 175.998 175.900 0.139 0.000 0.976 163 Y CA -0.834 57.318 58.100 0.087 0.000 1.044 163 Y CB 1.940 40.482 38.460 0.137 0.000 1.230 163 Y HN 0.461 nan 8.280 nan 0.000 0.455 164 R N 2.446 123.125 120.500 0.299 0.000 2.202 164 R HA 0.540 4.885 4.340 0.008 0.000 0.334 164 R C -1.323 175.102 176.300 0.209 0.000 1.036 164 R CA -0.448 55.780 56.100 0.214 0.000 0.878 164 R CB 0.525 30.919 30.300 0.156 0.000 1.067 164 R HN 0.585 nan 8.270 nan 0.000 0.457 165 V N 4.578 124.599 119.914 0.178 0.000 2.637 165 V HA 0.105 4.230 4.120 0.008 0.000 0.296 165 V C 0.312 176.404 176.094 -0.002 0.000 1.046 165 V CA 0.388 62.709 62.300 0.034 0.000 1.066 165 V CB 1.062 32.975 31.823 0.150 0.000 0.968 165 V HN 0.827 nan 8.190 nan 0.000 0.483 166 E N 3.117 123.222 120.200 -0.159 0.000 2.317 166 E HA 0.366 4.721 4.350 0.008 0.000 0.270 166 E C -0.325 176.220 176.600 -0.091 0.000 0.885 166 E CA -0.892 55.469 56.400 -0.065 0.000 0.760 166 E CB 1.478 31.151 29.700 -0.044 0.000 1.227 166 E HN 0.747 nan 8.360 nan 0.000 0.434 167 N N 2.544 121.233 118.700 -0.018 0.000 2.696 167 N HA -0.212 4.533 4.740 0.008 0.000 0.249 167 N C -1.026 174.461 175.510 -0.039 0.000 1.090 167 N CA 1.335 54.373 53.050 -0.021 0.000 0.716 167 N CB -0.996 37.463 38.487 -0.046 0.000 1.020 167 N HN 0.720 nan 8.380 nan 0.000 0.548 168 D N -1.839 118.549 120.400 -0.020 0.000 2.746 168 D HA -0.135 4.510 4.640 0.008 0.000 0.236 168 D C 1.180 177.334 176.300 -0.244 0.000 1.129 168 D CA 2.195 56.117 54.000 -0.130 0.000 0.691 168 D CB -1.542 39.218 40.800 -0.067 0.000 1.077 168 D HN 0.869 nan 8.370 nan 0.000 0.432 169 G N -1.154 107.457 108.800 -0.315 0.000 2.176 169 G HA2 -0.332 3.633 3.960 0.008 0.000 0.232 169 G HA3 -0.332 3.633 3.960 0.008 0.000 0.232 169 G C 1.058 175.871 174.900 -0.146 0.000 0.986 169 G CA 0.181 45.078 45.100 -0.339 0.000 0.643 169 G HN 0.431 nan 8.290 nan 0.000 0.522 170 I N 0.473 120.987 120.570 -0.093 0.000 2.315 170 I HA 0.058 4.233 4.170 0.008 0.000 0.248 170 I C 1.121 177.372 176.117 0.223 0.000 1.117 170 I CA 1.564 62.919 61.300 0.091 0.000 1.404 170 I CB -0.528 37.470 38.000 -0.004 0.000 1.071 170 I HN 0.400 nan 8.210 nan 0.000 0.419 171 N N -0.616 118.057 118.700 -0.045 0.000 2.277 171 N HA 0.407 5.151 4.740 0.008 0.000 0.286 171 N C -1.625 173.704 175.510 -0.303 0.000 1.140 171 N CA -0.433 52.655 53.050 0.063 0.000 0.799 171 N CB 1.570 40.093 38.487 0.060 0.000 1.596 171 N HN -0.205 nan 8.380 nan 0.000 0.473 172 F N 1.394 121.490 119.950 0.244 0.000 2.507 172 F HA 0.478 5.009 4.527 0.008 0.000 0.328 172 F C -0.422 175.534 175.800 0.260 0.000 1.136 172 F CA -0.835 57.286 58.000 0.202 0.000 0.930 172 F CB 1.783 40.838 39.000 0.091 0.000 1.166 172 F HN 0.040 nan 8.300 nan 0.000 0.436 173 V N 5.322 125.459 119.914 0.372 0.000 2.370 173 V HA 0.398 4.522 4.120 0.008 0.000 0.283 173 V C -2.111 174.143 176.094 0.266 0.000 1.023 173 V CA -2.014 60.456 62.300 0.284 0.000 0.857 173 V CB 1.425 33.352 31.823 0.173 0.000 0.985 173 V HN 0.462 nan 8.190 nan 0.000 0.443 174 P HA 0.215 nan 4.420 nan 0.000 0.276 174 P C 0.475 177.709 177.300 -0.110 0.000 1.230 174 P CA -0.082 62.933 63.100 -0.142 0.000 0.776 174 P CB 1.448 33.058 31.700 -0.150 0.000 0.888 175 L N 1.893 123.000 121.223 -0.193 0.000 2.446 175 L HA 0.055 4.399 4.340 0.008 0.000 0.219 175 L C 0.481 177.281 176.870 -0.117 0.000 1.116 175 L CA 0.331 55.114 54.840 -0.095 0.000 0.844 175 L CB -0.948 41.070 42.059 -0.070 0.000 0.970 175 L HN 0.508 nan 8.230 nan 0.000 0.457 176 N N 0.472 119.052 118.700 -0.200 0.000 2.714 176 N HA -0.208 4.537 4.740 0.008 0.000 0.253 176 N C 0.328 175.740 175.510 -0.163 0.000 1.024 176 N CA -0.042 52.914 53.050 -0.157 0.000 0.726 176 N CB -1.037 37.422 38.487 -0.047 0.000 0.908 176 N HN 0.299 nan 8.380 nan 0.000 0.542 177 L N -0.373 120.670 121.223 -0.300 0.000 2.906 177 L HA 0.320 4.665 4.340 0.008 0.000 0.255 177 L C 1.358 177.865 176.870 -0.605 0.000 1.166 177 L CA 0.300 54.914 54.840 -0.376 0.000 0.977 177 L CB 0.269 42.110 42.059 -0.363 0.000 1.313 177 L HN 0.488 nan 8.230 nan 0.000 0.549 178 G N 1.399 109.650 108.800 -0.915 0.000 2.782 178 G HA2 -0.192 3.773 3.960 0.008 0.000 0.228 178 G HA3 -0.192 3.773 3.960 0.008 0.000 0.228 178 G C -2.712 171.652 174.900 -0.893 0.000 1.372 178 G CA -0.929 43.140 45.100 -1.719 0.000 0.862 178 G HN 0.032 nan 8.290 nan 0.000 0.547 179 P HA 0.469 nan 4.420 nan 0.000 0.267 179 P C -0.124 177.004 177.300 -0.286 0.000 1.205 179 P CA 1.160 64.013 63.100 -0.411 0.000 0.765 179 P CB 1.105 32.633 31.700 -0.287 0.000 0.828 180 A N 2.675 125.357 122.820 -0.232 0.000 2.589 180 A HA 0.555 4.880 4.320 0.008 0.000 0.296 180 A C 0.656 178.188 177.584 -0.087 0.000 1.062 180 A CA -0.356 51.600 52.037 -0.134 0.000 0.686 180 A CB 0.874 19.777 19.000 -0.161 0.000 1.282 180 A HN 0.372 nan 8.150 nan 0.000 0.404 181 T N 0.306 114.866 114.554 0.011 0.000 3.046 181 T HA 0.218 4.573 4.350 0.008 0.000 0.242 181 T C 0.186 174.772 174.700 -0.190 0.000 1.018 181 T CA 1.430 63.529 62.100 -0.002 0.000 1.131 181 T CB -0.221 68.777 68.868 0.217 0.000 0.904 181 T HN 0.737 nan 8.240 nan 0.000 0.459 182 H N -0.586 118.508 119.070 0.040 0.000 2.690 182 H HA 0.718 5.279 4.556 0.008 0.000 0.368 182 H C -1.233 174.099 175.328 0.005 0.000 1.150 182 H CA -0.885 55.186 56.048 0.038 0.000 1.174 182 H CB 2.008 31.808 29.762 0.065 0.000 1.684 182 H HN 0.103 nan 8.280 nan 0.000 0.538 183 I N 2.950 123.594 120.570 0.123 0.000 2.478 183 I HA 0.409 4.583 4.170 0.008 0.000 0.287 183 I C -1.784 174.343 176.117 0.017 0.000 1.042 183 I CA -0.264 61.040 61.300 0.007 0.000 1.067 183 I CB 0.672 38.650 38.000 -0.036 0.000 1.233 183 I HN 0.443 nan 8.210 nan 0.000 0.431 184 L N 6.436 127.603 121.223 -0.093 0.000 2.279 184 L HA 0.635 4.979 4.340 0.008 0.000 0.262 184 L C -1.416 175.303 176.870 -0.252 0.000 1.019 184 L CA -0.829 54.015 54.840 0.006 0.000 0.823 184 L CB 1.953 44.063 42.059 0.085 0.000 1.358 184 L HN 0.441 nan 8.230 nan 0.000 0.432 185 F N 0.654 120.672 119.950 0.113 0.000 2.536 185 F HA 0.669 5.201 4.527 0.008 0.000 0.322 185 F C -0.016 175.818 175.800 0.058 0.000 1.144 185 F CA -0.557 57.498 58.000 0.092 0.000 0.924 185 F CB 2.017 41.074 39.000 0.096 0.000 1.181 185 F HN 0.360 nan 8.300 nan 0.000 0.438 186 A N 2.500 125.418 122.820 0.163 0.000 2.335 186 A HA 0.575 4.900 4.320 0.008 0.000 0.304 186 A C -0.494 177.142 177.584 0.086 0.000 1.118 186 A CA -0.752 51.327 52.037 0.071 0.000 0.757 186 A CB 0.480 19.485 19.000 0.009 0.000 1.188 186 A HN 0.851 nan 8.150 nan 0.000 0.460 187 D N 2.213 122.662 120.400 0.082 0.000 2.704 187 D HA -0.226 4.419 4.640 0.008 0.000 0.232 187 D C 1.138 177.507 176.300 0.114 0.000 1.183 187 D CA 2.063 56.129 54.000 0.110 0.000 0.647 187 D CB -1.206 39.678 40.800 0.141 0.000 1.013 187 D HN 1.968 nan 8.370 nan 0.000 0.415 188 G N 0.146 109.032 108.800 0.145 0.000 2.166 188 G HA2 -0.380 3.584 3.960 0.008 0.000 0.260 188 G HA3 -0.380 3.584 3.960 0.008 0.000 0.260 188 G C 0.300 175.298 174.900 0.162 0.000 0.986 188 G CA 0.694 45.889 45.100 0.158 0.000 0.683 188 G HN 0.561 nan 8.290 nan 0.000 0.527 189 R N 0.081 120.664 120.500 0.139 0.000 2.460 189 R HA 0.516 4.861 4.340 0.008 0.000 0.303 189 R C 0.205 176.520 176.300 0.024 0.000 0.968 189 R CA -0.923 55.212 56.100 0.059 0.000 0.889 189 R CB 1.286 31.594 30.300 0.013 0.000 1.123 189 R HN 0.213 nan 8.270 nan 0.000 0.455 190 R N 1.620 122.097 120.500 -0.039 0.000 2.298 190 R HA 0.235 4.580 4.340 0.008 0.000 0.310 190 R C -0.414 175.868 176.300 -0.029 0.000 1.068 190 R CA -0.409 55.590 56.100 -0.168 0.000 0.957 190 R CB 0.980 31.304 30.300 0.040 0.000 1.003 190 R HN 0.247 nan 8.270 nan 0.000 0.454 191 V N 5.515 125.361 119.914 -0.113 0.000 2.357 191 V HA 0.283 4.407 4.120 0.008 0.000 0.284 191 V C 0.132 176.260 176.094 0.056 0.000 1.018 191 V CA -0.737 61.586 62.300 0.038 0.000 0.841 191 V CB 1.468 33.306 31.823 0.025 0.000 0.991 191 V HN 0.558 nan 8.190 nan 0.000 0.437 192 I N 4.103 124.775 120.570 0.170 0.000 2.359 192 I HA 0.514 4.689 4.170 0.008 0.000 0.294 192 I C 0.831 177.034 176.117 0.143 0.000 0.987 192 I CA -0.157 61.207 61.300 0.107 0.000 1.225 192 I CB 1.471 39.490 38.000 0.031 0.000 1.366 192 I HN 0.691 nan 8.210 nan 0.000 0.466 193 G N 6.750 115.621 108.800 0.117 0.000 2.522 193 G HA2 0.509 4.473 3.960 0.008 0.000 0.318 193 G HA3 0.509 4.473 3.960 0.008 0.000 0.318 193 G C -0.142 174.831 174.900 0.123 0.000 1.192 193 G CA -0.652 44.528 45.100 0.133 0.000 0.988 193 G HN 0.494 nan 8.290 nan 0.000 0.480 194 R N 2.027 122.594 120.500 0.111 0.000 2.254 194 R HA 0.208 4.553 4.340 0.008 0.000 0.318 194 R C 0.327 176.668 176.300 0.068 0.000 1.031 194 R CA -0.398 55.756 56.100 0.090 0.000 0.905 194 R CB 0.694 31.057 30.300 0.105 0.000 1.050 194 R HN 0.813 nan 8.270 nan 0.000 0.456 195 N N 0.047 118.790 118.700 0.071 0.000 2.708 195 N HA -0.201 4.544 4.740 0.008 0.000 0.249 195 N C -0.058 175.183 175.510 -0.449 0.000 1.097 195 N CA 1.014 53.964 53.050 -0.167 0.000 0.710 195 N CB -0.849 37.660 38.487 0.036 0.000 1.032 195 N HN 0.729 nan 8.380 nan 0.000 0.551 196 T N -2.461 111.994 114.554 -0.165 0.000 3.324 196 T HA 0.226 4.581 4.350 0.008 0.000 0.250 196 T C 0.492 175.249 174.700 0.094 0.000 1.059 196 T CA -0.525 61.529 62.100 -0.077 0.000 0.951 196 T CB -0.636 68.249 68.868 0.028 0.000 1.030 196 T HN 0.356 nan 8.240 nan 0.000 0.576 197 F N 0.550 120.765 119.950 0.442 0.000 2.368 197 F HA 0.684 5.216 4.527 0.008 0.000 0.308 197 F C 0.457 176.533 175.800 0.460 0.000 1.198 197 F CA -1.731 56.528 58.000 0.432 0.000 1.130 197 F CB 0.302 39.522 39.000 0.365 0.000 1.300 197 F HN -0.175 nan 8.300 nan 0.000 0.537 198 E N 0.852 121.441 120.200 0.648 0.000 2.366 198 E HA 0.301 4.656 4.350 0.008 0.000 0.266 198 E C -0.579 176.321 176.600 0.499 0.000 1.051 198 E CA -0.149 56.560 56.400 0.515 0.000 0.884 198 E CB 1.319 31.268 29.700 0.415 0.000 1.006 198 E HN 0.618 nan 8.360 nan 0.000 0.417 199 L N 4.154 125.560 121.223 0.305 0.000 2.556 199 L HA 0.183 4.528 4.340 0.008 0.000 0.243 199 L C -1.568 175.293 176.870 -0.014 0.000 1.331 199 L CA -1.287 53.596 54.840 0.072 0.000 0.927 199 L CB 1.318 43.234 42.059 -0.238 0.000 1.219 199 L HN 0.236 nan 8.230 nan 0.000 0.490 200 P HA -0.178 nan 4.420 nan 0.000 0.223 200 P C 1.083 178.414 177.300 0.050 0.000 1.151 200 P CA 1.281 64.424 63.100 0.071 0.000 0.787 200 P CB -0.042 31.739 31.700 0.135 0.000 0.788 201 H N -4.269 114.881 119.070 0.135 0.000 2.551 201 H HA 0.020 4.581 4.556 0.008 0.000 0.266 201 H C -0.070 175.397 175.328 0.233 0.000 0.977 201 H CA 0.107 56.243 56.048 0.146 0.000 1.163 201 H CB -0.426 29.440 29.762 0.173 0.000 1.381 201 H HN 0.174 nan 8.280 nan 0.000 0.581 202 W N 2.913 123.990 121.300 -0.372 0.000 2.330 202 W HA 0.373 5.038 4.660 0.008 0.000 0.286 202 W C -1.038 175.434 176.519 -0.079 0.000 1.019 202 W CA -1.893 55.343 57.345 -0.182 0.000 1.485 202 W CB 0.524 29.837 29.460 -0.245 0.000 1.457 202 W HN -0.151 nan 8.180 nan 0.000 0.359 203 K N 1.092 121.637 120.400 0.242 0.000 2.295 203 K HA 0.445 4.770 4.320 0.008 0.000 0.270 203 K C 1.140 177.880 176.600 0.232 0.000 1.011 203 K CA 0.785 57.159 56.287 0.145 0.000 0.953 203 K CB 0.680 33.164 32.500 -0.027 0.000 0.956 203 K HN 0.558 nan 8.250 nan 0.000 0.477 204 G N 1.682 110.597 108.800 0.191 0.000 2.168 204 G HA2 -0.323 3.642 3.960 0.008 0.000 0.257 204 G HA3 -0.323 3.642 3.960 0.008 0.000 0.257 204 G C -0.270 174.616 174.900 -0.023 0.000 0.997 204 G CA 0.317 45.491 45.100 0.125 0.000 0.708 204 G HN 0.655 nan 8.290 nan 0.000 0.520 205 Y N 0.894 120.980 120.300 -0.356 0.000 2.620 205 Y HA 0.409 4.964 4.550 0.008 0.000 0.330 205 Y C 1.276 176.916 175.900 -0.434 0.000 1.186 205 Y CA 0.089 57.693 58.100 -0.827 0.000 1.467 205 Y CB 0.435 38.197 38.460 -1.164 0.000 1.262 205 Y HN 0.210 nan 8.280 nan 0.000 0.550 206 R N 3.854 123.699 120.500 -1.090 0.000 2.592 206 R HA 0.275 4.619 4.340 0.008 0.000 0.439 206 R C 0.567 176.348 176.300 -0.866 0.000 0.995 206 R CA 0.071 55.721 56.100 -0.750 0.000 1.141 206 R CB 0.543 30.670 30.300 -0.288 0.000 1.495 206 R HN 0.817 nan 8.270 nan 0.000 0.579 207 G N -0.614 107.206 108.800 -1.633 0.000 2.621 207 G HA2 0.257 4.222 3.960 0.008 0.000 0.271 207 G HA3 0.257 4.222 3.960 0.008 0.000 0.271 207 G C 0.981 175.605 174.900 -0.460 0.000 1.236 207 G CA -0.162 44.436 45.100 -0.837 0.000 0.958 207 G HN 0.187 nan 8.290 nan 0.000 0.512 208 G N -1.537 107.140 108.800 -0.206 0.000 2.535 208 G HA2 -0.026 3.939 3.960 0.008 0.000 0.218 208 G HA3 -0.026 3.939 3.960 0.008 0.000 0.218 208 G C 1.174 176.062 174.900 -0.021 0.000 1.122 208 G CA 1.378 46.398 45.100 -0.134 0.000 0.769 208 G HN 0.602 nan 8.290 nan 0.000 0.549 209 T N 0.513 115.179 114.554 0.186 0.000 3.163 209 T HA 0.162 4.516 4.350 0.008 0.000 0.252 209 T C 0.984 175.874 174.700 0.317 0.000 1.056 209 T CA -0.636 61.602 62.100 0.231 0.000 0.947 209 T CB 0.041 69.173 68.868 0.439 0.000 1.016 209 T HN 0.551 nan 8.240 nan 0.000 0.554 210 R N 1.542 122.207 120.500 0.275 0.000 2.570 210 R HA 0.401 4.746 4.340 0.008 0.000 0.277 210 R C 0.591 177.019 176.300 0.213 0.000 1.039 210 R CA -0.458 55.838 56.100 0.327 0.000 1.065 210 R CB 0.004 30.294 30.300 -0.015 0.000 0.964 210 R HN 0.107 nan 8.270 nan 0.000 0.428 211 G N 2.865 111.854 108.800 0.315 0.000 2.224 211 G HA2 -0.000 3.964 3.960 0.008 0.000 0.239 211 G HA3 -0.000 3.964 3.960 0.008 0.000 0.239 211 G C -0.631 174.191 174.900 -0.129 0.000 1.240 211 G CA -0.288 44.773 45.100 -0.065 0.000 0.896 211 G HN 0.643 nan 8.290 nan 0.000 0.496 212 K N 1.130 121.495 120.400 -0.059 0.000 2.482 212 K HA 0.569 4.894 4.320 0.008 0.000 0.257 212 K C -0.788 175.819 176.600 0.011 0.000 0.969 212 K CA -0.841 55.409 56.287 -0.062 0.000 0.842 212 K CB 2.567 35.089 32.500 0.037 0.000 1.359 212 K HN 0.374 nan 8.250 nan 0.000 0.441 213 I N 0.848 121.384 120.570 -0.057 0.000 2.509 213 I HA 0.433 4.608 4.170 0.008 0.000 0.293 213 I C -1.249 174.913 176.117 0.076 0.000 1.020 213 I CA -0.778 60.552 61.300 0.052 0.000 1.088 213 I CB 1.298 39.273 38.000 -0.042 0.000 1.267 213 I HN 0.428 nan 8.210 nan 0.000 0.430 214 W N 5.985 127.312 121.300 0.044 0.000 2.781 214 W HA 0.757 5.421 4.660 0.008 0.000 0.345 214 W C -0.657 175.965 176.519 0.171 0.000 1.085 214 W CA -0.540 56.881 57.345 0.128 0.000 1.198 214 W CB 1.468 31.043 29.460 0.191 0.000 1.423 214 W HN 0.177 nan 8.180 nan 0.000 0.532 215 I N 1.023 121.838 120.570 0.408 0.000 2.769 215 I HA 0.263 4.438 4.170 0.008 0.000 0.298 215 I C -0.509 175.612 176.117 0.007 0.000 1.128 215 I CA -0.974 60.450 61.300 0.206 0.000 1.031 215 I CB 1.912 39.963 38.000 0.084 0.000 1.235 215 I HN 0.410 nan 8.210 nan 0.000 0.423 216 E N 4.243 124.248 120.200 -0.326 0.000 2.354 216 E HA 0.239 4.594 4.350 0.008 0.000 0.269 216 E C 0.146 176.550 176.600 -0.325 0.000 1.036 216 E CA -0.169 55.753 56.400 -0.797 0.000 0.876 216 E CB 1.206 30.406 29.700 -0.834 0.000 1.009 216 E HN 0.508 nan 8.360 nan 0.000 0.416 217 V N 0.793 120.540 119.914 -0.277 0.000 3.562 217 V HA 0.328 4.452 4.120 0.008 0.000 0.270 217 V C 0.099 176.131 176.094 -0.104 0.000 1.418 217 V CA 0.027 62.251 62.300 -0.127 0.000 1.033 217 V CB 0.221 31.999 31.823 -0.074 0.000 0.820 217 V HN 0.600 nan 8.190 nan 0.000 0.441 218 N N 1.298 119.916 118.700 -0.138 0.000 2.827 218 N HA 0.159 4.904 4.740 0.008 0.000 0.240 218 N C 0.312 175.784 175.510 -0.064 0.000 1.352 218 N CA 0.533 53.536 53.050 -0.078 0.000 0.760 218 N CB 0.848 39.302 38.487 -0.056 0.000 1.426 218 N HN 0.472 nan 8.380 nan 0.000 0.561 219 S N 0.913 116.586 115.700 -0.046 0.000 3.198 219 S HA -0.163 4.312 4.470 0.008 0.000 0.355 219 S C 1.179 175.809 174.600 0.050 0.000 0.799 219 S CA 1.285 59.489 58.200 0.006 0.000 1.258 219 S CB -1.711 61.509 63.200 0.034 0.000 0.811 219 S HN 1.253 nan 8.310 nan 0.000 0.418 220 G N -1.107 107.715 108.800 0.036 0.000 3.465 220 G HA2 0.359 4.323 3.960 0.008 0.000 0.219 220 G HA3 0.359 4.323 3.960 0.008 0.000 0.219 220 G C 0.081 175.107 174.900 0.211 0.000 0.984 220 G CA -0.143 45.073 45.100 0.194 0.000 0.864 220 G HN 1.676 nan 8.290 nan 0.000 0.485 221 A N 0.786 123.592 122.820 -0.023 0.000 2.362 221 A HA 0.759 5.084 4.320 0.008 0.000 0.276 221 A C -0.826 176.682 177.584 -0.126 0.000 1.153 221 A CA 0.023 52.008 52.037 -0.088 0.000 0.813 221 A CB 0.067 18.988 19.000 -0.132 0.000 1.081 221 A HN 0.350 nan 8.150 nan 0.000 0.507 222 F N 1.389 121.454 119.950 0.192 0.000 2.492 222 F HA 0.630 5.162 4.527 0.008 0.000 0.327 222 F C 0.470 176.583 175.800 0.521 0.000 1.079 222 F CA -0.391 57.861 58.000 0.419 0.000 0.967 222 F CB 2.281 41.588 39.000 0.512 0.000 1.169 222 F HN 0.567 nan 8.300 nan 0.000 0.472 223 K N 2.851 123.609 120.400 0.596 0.000 2.482 223 K HA 0.323 4.648 4.320 0.008 0.000 0.251 223 K C -1.298 175.293 176.600 -0.015 0.000 0.936 223 K CA -0.852 55.607 56.287 0.287 0.000 0.791 223 K CB 1.917 34.471 32.500 0.089 0.000 1.213 223 K HN 0.682 nan 8.250 nan 0.000 0.428 224 K N 5.567 125.512 120.400 -0.759 0.000 2.383 224 K HA 0.132 4.457 4.320 0.008 0.000 0.286 224 K C 0.819 177.105 176.600 -0.523 0.000 1.051 224 K CA -0.097 55.450 56.287 -1.233 0.000 0.974 224 K CB 0.298 31.731 32.500 -1.777 0.000 0.968 224 K HN 0.704 nan 8.250 nan 0.000 0.475 225 I N 0.880 121.245 120.570 -0.341 0.000 4.288 225 I HA 0.183 4.358 4.170 0.008 0.000 0.331 225 I C -0.717 175.289 176.117 -0.184 0.000 1.322 225 I CA -0.560 60.626 61.300 -0.191 0.000 1.149 225 I CB 1.063 39.012 38.000 -0.084 0.000 1.112 225 I HN 0.075 nan 8.210 nan 0.000 0.403 226 V N 2.660 122.429 119.914 -0.241 0.000 2.509 226 V HA 0.440 4.565 4.120 0.008 0.000 0.289 226 V C -1.513 174.404 176.094 -0.295 0.000 1.026 226 V CA -0.242 61.898 62.300 -0.268 0.000 0.872 226 V CB 1.458 33.071 31.823 -0.350 0.000 1.017 226 V HN 0.236 nan 8.190 nan 0.000 0.436 227 D N 5.147 125.391 120.400 -0.260 0.000 2.586 227 D HA 0.396 5.041 4.640 0.008 0.000 0.254 227 D C -0.300 175.882 176.300 -0.196 0.000 1.248 227 D CA -0.228 53.636 54.000 -0.226 0.000 0.843 227 D CB 0.911 41.580 40.800 -0.218 0.000 1.332 227 D HN 0.384 nan 8.370 nan 0.000 0.523 228 M N 0.231 119.697 119.600 -0.222 0.000 2.159 228 M HA 0.158 4.643 4.480 0.008 0.000 0.293 228 M C 1.897 178.102 176.300 -0.159 0.000 1.186 228 M CA -0.327 54.860 55.300 -0.188 0.000 1.073 228 M CB 1.128 33.592 32.600 -0.227 0.000 1.419 228 M HN 0.154 nan 8.290 nan 0.000 0.490 229 S N -0.391 115.232 115.700 -0.130 0.000 2.368 229 S HA -0.082 4.393 4.470 0.008 0.000 0.225 229 S C 0.826 175.341 174.600 -0.142 0.000 1.030 229 S CA 1.642 59.778 58.200 -0.108 0.000 0.999 229 S CB -0.294 62.861 63.200 -0.075 0.000 0.844 229 S HN 0.845 nan 8.310 nan 0.000 0.459 230 T N -1.174 113.295 114.554 -0.142 0.000 2.910 230 T HA 0.433 4.788 4.350 0.008 0.000 0.279 230 T C -0.218 174.415 174.700 -0.113 0.000 0.989 230 T CA -0.682 61.339 62.100 -0.132 0.000 0.968 230 T CB 0.676 69.500 68.868 -0.074 0.000 1.135 230 T HN 0.371 nan 8.240 nan 0.000 0.562 231 H N -0.486 118.503 119.070 -0.135 0.000 2.803 231 H HA 0.470 5.031 4.556 0.008 0.000 0.330 231 H C -0.851 174.430 175.328 -0.078 0.000 1.057 231 H CA -0.095 55.912 56.048 -0.068 0.000 1.458 231 H CB 0.078 29.881 29.762 0.068 0.000 1.470 231 H HN 0.463 nan 8.280 nan 0.000 0.560 232 V N 5.905 125.401 119.914 -0.697 0.000 2.398 232 V HA 0.382 4.507 4.120 0.008 0.000 0.286 232 V C -0.211 175.493 176.094 -0.649 0.000 1.026 232 V CA -0.061 61.893 62.300 -0.576 0.000 0.868 232 V CB 1.234 32.687 31.823 -0.617 0.000 0.982 232 V HN 1.028 nan 8.190 nan 0.000 0.443 233 S N 2.250 117.769 115.700 -0.303 0.000 2.667 233 S HA 0.639 5.114 4.470 0.008 0.000 0.292 233 S C -0.108 174.488 174.600 -0.007 0.000 1.126 233 S CA -0.352 57.768 58.200 -0.132 0.000 0.881 233 S CB 1.777 65.016 63.200 0.065 0.000 1.132 233 S HN 0.982 nan 8.310 nan 0.000 0.492 234 S N 1.897 117.580 115.700 -0.028 0.000 3.405 234 S HA -0.073 4.401 4.470 0.008 0.000 0.373 234 S C -2.274 172.273 174.600 -0.089 0.000 0.939 234 S CA 0.658 58.810 58.200 -0.080 0.000 1.295 234 S CB -1.826 61.428 63.200 0.090 0.000 0.919 234 S HN 0.781 nan 8.310 nan 0.000 0.535 235 P HA 0.540 nan 4.420 nan 0.000 0.278 235 P C -0.092 177.223 177.300 0.026 0.000 1.238 235 P CA -0.346 62.745 63.100 -0.015 0.000 0.794 235 P CB 1.419 33.091 31.700 -0.047 0.000 0.955 236 V N 0.109 120.108 119.914 0.142 0.000 3.188 236 V HA 0.618 4.743 4.120 0.008 0.000 0.305 236 V C -0.733 175.492 176.094 0.218 0.000 1.232 236 V CA -1.082 61.316 62.300 0.162 0.000 1.043 236 V CB 2.202 34.115 31.823 0.150 0.000 1.068 236 V HN 0.336 nan 8.190 nan 0.000 0.439 237 I N 1.463 122.146 120.570 0.188 0.000 2.439 237 I HA 0.625 4.799 4.170 0.008 0.000 0.285 237 I C -1.174 175.036 176.117 0.155 0.000 1.021 237 I CA -0.835 60.582 61.300 0.195 0.000 1.091 237 I CB 2.112 40.190 38.000 0.129 0.000 1.242 237 I HN 0.458 nan 8.210 nan 0.000 0.439 238 V N 6.004 126.046 119.914 0.213 0.000 2.409 238 V HA 0.734 4.859 4.120 0.008 0.000 0.290 238 V C 0.708 176.904 176.094 0.171 0.000 1.017 238 V CA 0.180 62.543 62.300 0.104 0.000 0.841 238 V CB 0.772 32.547 31.823 -0.080 0.000 1.003 238 V HN 1.115 nan 8.190 nan 0.000 0.426 239 G N 4.603 113.464 108.800 0.101 0.000 2.559 239 G HA2 -0.285 3.680 3.960 0.008 0.000 0.282 239 G HA3 -0.285 3.680 3.960 0.008 0.000 0.282 239 G C 0.153 175.088 174.900 0.058 0.000 1.177 239 G CA 0.702 45.888 45.100 0.144 0.000 0.960 239 G HN 0.843 nan 8.290 nan 0.000 0.540 240 H N 1.636 120.775 119.070 0.115 0.000 2.492 240 H HA 0.541 5.102 4.556 0.008 0.000 0.264 240 H C 0.734 176.117 175.328 0.091 0.000 1.150 240 H CA -0.090 56.015 56.048 0.095 0.000 0.962 240 H CB 0.389 30.193 29.762 0.070 0.000 1.766 240 H HN 0.417 nan 8.280 nan 0.000 0.589 241 R N 0.405 121.008 120.500 0.171 0.000 2.750 241 R HA 0.519 4.864 4.340 0.008 0.000 0.281 241 R C -0.898 175.461 176.300 0.098 0.000 0.972 241 R CA -0.898 55.247 56.100 0.076 0.000 0.912 241 R CB 2.538 32.817 30.300 -0.034 0.000 1.187 241 R HN 0.098 nan 8.270 nan 0.000 0.464 242 I N 2.940 123.512 120.570 0.002 0.000 2.321 242 I HA 0.279 4.453 4.170 0.008 0.000 0.291 242 I C -0.849 175.227 176.117 -0.068 0.000 0.998 242 I CA -0.617 60.747 61.300 0.106 0.000 1.227 242 I CB 0.658 38.764 38.000 0.176 0.000 1.368 242 I HN 0.358 nan 8.210 nan 0.000 0.466 243 Y N 6.885 127.177 120.300 -0.013 0.000 2.342 243 Y HA 0.617 5.172 4.550 0.008 0.000 0.334 243 Y C -0.053 175.780 175.900 -0.112 0.000 1.067 243 Y CA -0.694 57.283 58.100 -0.204 0.000 1.128 243 Y CB 1.223 39.599 38.460 -0.140 0.000 1.200 243 Y HN 0.436 nan 8.280 nan 0.000 0.464 244 F N -0.187 119.830 119.950 0.111 0.000 2.789 244 F HA 0.824 5.356 4.527 0.008 0.000 0.319 244 F C -1.697 174.137 175.800 0.056 0.000 1.168 244 F CA -2.025 55.998 58.000 0.038 0.000 0.934 244 F CB 0.921 39.900 39.000 -0.036 0.000 1.375 244 F HN 0.166 nan 8.300 nan 0.000 0.480 245 I N 0.640 121.423 120.570 0.355 0.000 2.603 245 I HA 0.722 4.896 4.170 0.008 0.000 0.300 245 I C -0.380 175.888 176.117 0.251 0.000 1.017 245 I CA -0.616 60.835 61.300 0.252 0.000 1.098 245 I CB 2.208 40.302 38.000 0.157 0.000 1.279 245 I HN 0.862 nan 8.210 nan 0.000 0.437 246 T N 1.759 116.431 114.554 0.197 0.000 2.827 246 T HA 0.215 4.570 4.350 0.008 0.000 0.328 246 T C -1.808 172.928 174.700 0.059 0.000 1.598 246 T CA -0.659 61.481 62.100 0.067 0.000 1.043 246 T CB 1.308 70.128 68.868 -0.079 0.000 1.447 246 T HN 0.760 nan 8.240 nan 0.000 0.491 247 D N 2.468 122.892 120.400 0.039 0.000 2.788 247 D HA 0.171 4.816 4.640 0.008 0.000 0.289 247 D C 1.248 177.573 176.300 0.042 0.000 1.340 247 D CA -0.429 53.595 54.000 0.039 0.000 0.831 247 D CB -0.169 40.677 40.800 0.076 0.000 1.103 247 D HN 0.373 nan 8.370 nan 0.000 0.476 248 I N 0.561 121.114 120.570 -0.027 0.000 2.423 248 I HA -0.220 3.955 4.170 0.008 0.000 0.254 248 I C 0.693 176.826 176.117 0.027 0.000 1.151 248 I CA 1.465 62.739 61.300 -0.043 0.000 1.421 248 I CB 0.216 38.128 38.000 -0.147 0.000 1.079 248 I HN -0.101 nan 8.210 nan 0.000 0.431 249 D N -0.170 120.281 120.400 0.085 0.000 2.339 249 D HA 0.248 4.893 4.640 0.008 0.000 0.217 249 D C 1.631 177.996 176.300 0.108 0.000 1.050 249 D CA 0.982 55.043 54.000 0.102 0.000 0.856 249 D CB 0.636 41.519 40.800 0.137 0.000 0.922 249 D HN 0.469 nan 8.370 nan 0.000 0.518 250 G N -0.095 108.781 108.800 0.128 0.000 2.284 250 G HA2 -0.180 3.785 3.960 0.008 0.000 0.201 250 G HA3 -0.180 3.785 3.960 0.008 0.000 0.201 250 G C 0.043 175.101 174.900 0.263 0.000 0.998 250 G CA -0.356 44.848 45.100 0.174 0.000 0.651 250 G HN 0.276 nan 8.290 nan 0.000 0.489 251 F N 0.738 120.660 119.950 -0.047 0.000 2.645 251 F HA 0.613 5.145 4.527 0.008 0.000 0.310 251 F C 0.469 175.983 175.800 -0.477 0.000 1.102 251 F CA -0.115 57.711 58.000 -0.289 0.000 0.952 251 F CB 1.417 40.320 39.000 -0.161 0.000 1.326 251 F HN 0.369 nan 8.300 nan 0.000 0.456 252 G N 3.412 111.315 108.800 -1.496 0.000 2.343 252 G HA2 0.492 4.457 3.960 0.008 0.000 0.254 252 G HA3 0.492 4.457 3.960 0.008 0.000 0.254 252 G C -1.205 173.652 174.900 -0.070 0.000 1.277 252 G CA -0.123 44.550 45.100 -0.712 0.000 0.909 252 G HN 0.426 nan 8.290 nan 0.000 0.502 253 Q N 0.895 120.741 119.800 0.076 0.000 2.511 253 Q HA 0.380 4.725 4.340 0.008 0.000 0.289 253 Q C -0.510 175.518 176.000 0.047 0.000 1.021 253 Q CA -0.729 55.092 55.803 0.030 0.000 0.785 253 Q CB 2.442 31.131 28.738 -0.081 0.000 1.472 253 Q HN 0.540 nan 8.270 nan 0.000 0.411 254 I N 1.431 121.880 120.570 -0.203 0.000 2.396 254 I HA 0.361 4.536 4.170 0.008 0.000 0.292 254 I C -0.732 175.234 176.117 -0.252 0.000 0.999 254 I CA -0.336 60.839 61.300 -0.208 0.000 1.310 254 I CB 0.491 38.225 38.000 -0.444 0.000 1.404 254 I HN 0.443 nan 8.210 nan 0.000 0.496 255 Y N 2.802 122.879 120.300 -0.372 0.000 2.705 255 Y HA 0.632 5.187 4.550 0.008 0.000 0.332 255 Y C 0.062 175.462 175.900 -0.832 0.000 1.157 255 Y CA -0.699 57.153 58.100 -0.412 0.000 1.091 255 Y CB 2.106 40.325 38.460 -0.402 0.000 1.301 255 Y HN 0.587 nan 8.280 nan 0.000 0.488 256 S N -0.639 114.778 115.700 -0.472 0.000 2.567 256 S HA 0.811 5.286 4.470 0.008 0.000 0.270 256 S C -1.052 173.402 174.600 -0.244 0.000 1.152 256 S CA -0.384 57.403 58.200 -0.688 0.000 0.835 256 S CB 1.802 64.244 63.200 -1.264 0.000 1.115 256 S HN 1.038 nan 8.310 nan 0.000 0.459 257 T N -1.546 112.926 114.554 -0.137 0.000 2.816 257 T HA 0.705 5.060 4.350 0.008 0.000 0.299 257 T C -1.100 173.598 174.700 -0.002 0.000 1.230 257 T CA -0.541 61.565 62.100 0.008 0.000 1.007 257 T CB 0.896 69.838 68.868 0.123 0.000 1.289 257 T HN 0.842 nan 8.240 nan 0.000 0.508 258 D N 0.568 120.984 120.400 0.026 0.000 2.414 258 D HA 0.212 4.856 4.640 0.008 0.000 0.251 258 D C 1.189 177.525 176.300 0.061 0.000 1.252 258 D CA -0.908 53.122 54.000 0.049 0.000 0.999 258 D CB 0.162 40.992 40.800 0.051 0.000 1.093 258 D HN 0.529 nan 8.370 nan 0.000 0.515 259 L N -0.468 120.802 121.223 0.079 0.000 2.786 259 L HA 0.038 4.383 4.340 0.008 0.000 0.250 259 L C 0.324 177.222 176.870 0.046 0.000 1.151 259 L CA 0.624 55.506 54.840 0.071 0.000 0.910 259 L CB -0.588 41.524 42.059 0.089 0.000 1.082 259 L HN 0.351 nan 8.230 nan 0.000 0.433 260 D N -0.474 119.946 120.400 0.033 0.000 2.500 260 D HA 0.137 4.782 4.640 0.008 0.000 0.217 260 D C 1.546 177.842 176.300 -0.005 0.000 1.159 260 D CA 0.814 54.820 54.000 0.010 0.000 0.828 260 D CB 1.326 42.131 40.800 0.008 0.000 1.039 260 D HN 0.274 nan 8.370 nan 0.000 0.512 261 G N 1.644 110.450 108.800 0.011 0.000 2.179 261 G HA2 -0.262 3.703 3.960 0.008 0.000 0.260 261 G HA3 -0.262 3.703 3.960 0.008 0.000 0.260 261 G C 0.508 175.414 174.900 0.010 0.000 0.977 261 G CA 0.229 45.331 45.100 0.004 0.000 0.641 261 G HN 0.134 nan 8.290 nan 0.000 0.533 262 K N 0.445 120.852 120.400 0.011 0.000 2.109 262 K HA 0.501 4.826 4.320 0.008 0.000 0.243 262 K C 0.501 177.112 176.600 0.019 0.000 1.006 262 K CA -0.112 56.181 56.287 0.009 0.000 0.917 262 K CB 0.495 32.997 32.500 0.004 0.000 1.081 262 K HN 0.209 nan 8.250 nan 0.000 0.468 263 D N 0.768 121.176 120.400 0.014 0.000 2.848 263 D HA -0.170 4.475 4.640 0.008 0.000 0.245 263 D C -0.914 175.399 176.300 0.021 0.000 1.122 263 D CA 0.162 54.169 54.000 0.013 0.000 0.769 263 D CB -0.841 39.965 40.800 0.011 0.000 1.025 263 D HN 0.379 nan 8.370 nan 0.000 0.423 264 L N 1.347 122.593 121.223 0.039 0.000 2.461 264 L HA 0.461 4.806 4.340 0.008 0.000 0.272 264 L C 0.355 177.253 176.870 0.047 0.000 1.197 264 L CA 0.691 55.578 54.840 0.078 0.000 0.836 264 L CB 0.524 42.649 42.059 0.109 0.000 1.105 264 L HN 0.289 nan 8.230 nan 0.000 0.477 265 R N 3.274 123.802 120.500 0.046 0.000 2.626 265 R HA 0.370 4.715 4.340 0.008 0.000 0.274 265 R C -1.351 174.802 176.300 -0.244 0.000 1.031 265 R CA -0.980 55.047 56.100 -0.123 0.000 0.898 265 R CB 1.714 31.868 30.300 -0.243 0.000 1.222 265 R HN 0.538 nan 8.270 nan 0.000 0.455 266 K N 1.577 121.704 120.400 -0.455 0.000 2.240 266 K HA 0.245 4.570 4.320 0.008 0.000 0.271 266 K C -0.331 175.896 176.600 -0.622 0.000 1.018 266 K CA -0.341 55.481 56.287 -0.775 0.000 0.874 266 K CB 0.660 32.772 32.500 -0.647 0.000 1.098 266 K HN 0.648 nan 8.250 nan 0.000 0.458 267 H N 0.711 119.469 119.070 -0.520 0.000 2.705 267 H HA 0.117 4.678 4.556 0.008 0.000 0.269 267 H C -0.258 174.789 175.328 -0.469 0.000 0.998 267 H CA 0.280 56.112 56.048 -0.361 0.000 1.193 267 H CB 0.980 30.551 29.762 -0.319 0.000 1.485 267 H HN 0.675 nan 8.280 nan 0.000 0.521 268 T N -3.020 111.218 114.554 -0.527 0.000 2.896 268 T HA 0.558 4.913 4.350 0.008 0.000 0.297 268 T C 0.075 174.364 174.700 -0.684 0.000 1.108 268 T CA -0.966 60.673 62.100 -0.768 0.000 1.004 268 T CB 2.090 70.136 68.868 -1.370 0.000 1.159 268 T HN -0.095 nan 8.240 nan 0.000 0.499 269 S N 0.651 115.942 115.700 -0.683 0.000 2.740 269 S HA 0.374 4.849 4.470 0.008 0.000 0.244 269 S C -0.193 174.242 174.600 -0.274 0.000 1.101 269 S CA -0.810 57.157 58.200 -0.389 0.000 1.123 269 S CB -0.622 62.430 63.200 -0.247 0.000 1.012 269 S HN 0.617 nan 8.310 nan 0.000 0.491 270 F N 1.978 121.870 119.950 -0.098 0.000 2.628 270 F HA 0.104 4.636 4.527 0.008 0.000 0.346 270 F C 2.023 177.615 175.800 -0.346 0.000 1.188 270 F CA 0.567 58.514 58.000 -0.089 0.000 1.376 270 F CB 0.611 39.660 39.000 0.082 0.000 1.104 270 F HN 0.298 nan 8.300 nan 0.000 0.616 271 T N -4.578 109.827 114.554 -0.247 0.000 3.147 271 T HA 0.014 4.368 4.350 0.008 0.000 0.275 271 T C 0.678 175.030 174.700 -0.580 0.000 0.879 271 T CA 0.188 61.824 62.100 -0.773 0.000 0.863 271 T CB -0.164 68.453 68.868 -0.418 0.000 1.236 271 T HN 0.572 nan 8.240 nan 0.000 0.582 272 D N 1.043 121.326 120.400 -0.195 0.000 2.214 272 D HA 0.109 4.754 4.640 0.008 0.000 0.217 272 D C -0.006 176.098 176.300 -0.326 0.000 0.973 272 D CA 0.788 54.632 54.000 -0.259 0.000 0.880 272 D CB -0.273 40.442 40.800 -0.141 0.000 1.031 272 D HN 0.557 nan 8.370 nan 0.000 0.468 273 Y N -1.553 118.963 120.300 0.361 0.000 2.504 273 Y HA 0.351 4.906 4.550 0.008 0.000 0.344 273 Y C -0.719 175.398 175.900 0.361 0.000 1.023 273 Y CA -1.533 56.783 58.100 0.360 0.000 1.020 273 Y CB 1.265 39.805 38.460 0.134 0.000 1.282 273 Y HN -0.230 nan 8.280 nan 0.000 0.454 274 Y N 4.124 124.482 120.300 0.096 0.000 2.702 274 Y HA 0.072 4.627 4.550 0.008 0.000 0.336 274 Y C -1.970 173.945 175.900 0.026 0.000 1.235 274 Y CA -1.712 56.326 58.100 -0.103 0.000 1.492 274 Y CB 0.002 38.372 38.460 -0.149 0.000 1.308 274 Y HN 0.251 nan 8.280 nan 0.000 0.589 275 P HA 0.406 nan 4.420 nan 0.000 0.282 275 P C -0.723 176.682 177.300 0.174 0.000 1.259 275 P CA -0.501 62.611 63.100 0.020 0.000 0.826 275 P CB 1.768 33.316 31.700 -0.253 0.000 1.064 276 R N -0.163 120.499 120.500 0.269 0.000 2.734 276 R HA 0.287 4.632 4.340 0.008 0.000 0.271 276 R C -0.618 175.938 176.300 0.426 0.000 1.021 276 R CA -0.951 55.339 56.100 0.317 0.000 0.893 276 R CB -0.007 30.479 30.300 0.309 0.000 1.244 276 R HN 0.727 nan 8.270 nan 0.000 0.464 277 H N 0.386 119.620 119.070 0.274 0.000 2.765 277 H HA -0.134 4.427 4.556 0.008 0.000 0.332 277 H C -0.834 174.674 175.328 0.301 0.000 1.180 277 H CA 0.207 56.428 56.048 0.289 0.000 1.142 277 H CB -1.030 28.900 29.762 0.281 0.000 1.576 277 H HN 0.377 nan 8.280 nan 0.000 0.420 278 L N 1.922 123.271 121.223 0.210 0.000 2.453 278 L HA 0.188 4.533 4.340 0.008 0.000 0.272 278 L C 0.888 177.843 176.870 0.143 0.000 1.182 278 L CA 0.718 55.686 54.840 0.213 0.000 0.858 278 L CB 0.674 42.830 42.059 0.161 0.000 1.120 278 L HN 0.623 nan 8.230 nan 0.000 0.474 279 N N 0.422 119.248 118.700 0.210 0.000 2.494 279 N HA 0.554 5.299 4.740 0.008 0.000 0.270 279 N C -1.288 174.346 175.510 0.207 0.000 1.285 279 N CA -0.529 52.641 53.050 0.199 0.000 0.812 279 N CB 2.569 41.197 38.487 0.235 0.000 1.557 279 N HN 0.487 nan 8.380 nan 0.000 0.487 280 T N -1.090 113.579 114.554 0.191 0.000 2.792 280 T HA 0.245 4.600 4.350 0.008 0.000 0.303 280 T C -1.228 173.555 174.700 0.138 0.000 1.310 280 T CA -0.478 61.709 62.100 0.145 0.000 1.007 280 T CB 1.137 70.061 68.868 0.093 0.000 1.335 280 T HN 0.690 nan 8.240 nan 0.000 0.504 281 D N -0.646 119.792 120.400 0.063 0.000 2.474 281 D HA 0.328 4.972 4.640 0.008 0.000 0.213 281 D C 1.334 177.615 176.300 -0.031 0.000 1.120 281 D CA 0.887 54.884 54.000 -0.004 0.000 0.836 281 D CB 0.247 40.961 40.800 -0.144 0.000 1.019 281 D HN 1.077 nan 8.370 nan 0.000 0.507 282 G N 0.527 109.325 108.800 -0.005 0.000 2.255 282 G HA2 -0.258 3.707 3.960 0.008 0.000 0.196 282 G HA3 -0.258 3.707 3.960 0.008 0.000 0.196 282 G C 1.301 176.183 174.900 -0.029 0.000 0.998 282 G CA 0.123 45.219 45.100 -0.006 0.000 0.656 282 G HN 0.362 nan 8.290 nan 0.000 0.490 283 R N -0.440 120.028 120.500 -0.053 0.000 2.197 283 R HA 0.368 4.713 4.340 0.008 0.000 0.188 283 R C 0.929 177.176 176.300 -0.087 0.000 1.015 283 R CA 0.167 56.228 56.100 -0.066 0.000 1.132 283 R CB 0.454 30.711 30.300 -0.071 0.000 1.134 283 R HN 0.259 nan 8.270 nan 0.000 0.560 284 R N 0.441 120.903 120.500 -0.063 0.000 2.787 284 R HA 0.519 4.864 4.340 0.008 0.000 0.271 284 R C -0.705 175.603 176.300 0.013 0.000 0.993 284 R CA -0.566 55.504 56.100 -0.051 0.000 0.993 284 R CB 1.876 32.161 30.300 -0.024 0.000 1.155 284 R HN -0.040 nan 8.270 nan 0.000 0.486 285 I N 1.944 122.558 120.570 0.073 0.000 2.441 285 I HA 0.323 4.498 4.170 0.008 0.000 0.295 285 I C -0.974 175.311 176.117 0.279 0.000 0.994 285 I CA -0.939 60.471 61.300 0.184 0.000 1.144 285 I CB 1.703 39.850 38.000 0.245 0.000 1.314 285 I HN 0.233 nan 8.210 nan 0.000 0.445 286 L N 7.508 128.901 121.223 0.283 0.000 2.333 286 L HA 0.724 5.069 4.340 0.008 0.000 0.269 286 L C -1.045 176.056 176.870 0.385 0.000 1.010 286 L CA -0.286 54.703 54.840 0.247 0.000 0.818 286 L CB 1.669 43.862 42.059 0.223 0.000 1.306 286 L HN 0.516 nan 8.230 nan 0.000 0.430 287 F N 0.025 120.119 119.950 0.241 0.000 2.770 287 F HA 0.749 5.281 4.527 0.008 0.000 0.313 287 F C -1.091 174.850 175.800 0.235 0.000 1.154 287 F CA -0.827 57.320 58.000 0.245 0.000 0.923 287 F CB 0.765 39.892 39.000 0.211 0.000 1.301 287 F HN 0.457 nan 8.300 nan 0.000 0.449 288 S N 1.004 116.967 115.700 0.438 0.000 2.621 288 S HA 0.841 5.316 4.470 0.008 0.000 0.302 288 S C -1.166 173.658 174.600 0.373 0.000 1.093 288 S CA -0.787 57.578 58.200 0.276 0.000 1.017 288 S CB 2.117 65.419 63.200 0.170 0.000 1.077 288 S HN 1.031 nan 8.310 nan 0.000 0.517 289 K N -0.019 120.547 120.400 0.277 0.000 2.575 289 K HA 0.473 4.797 4.320 0.008 0.000 0.255 289 K C 0.331 176.988 176.600 0.095 0.000 0.953 289 K CA 0.091 56.495 56.287 0.196 0.000 0.840 289 K CB 0.814 33.349 32.500 0.059 0.000 1.303 289 K HN 1.419 nan 8.250 nan 0.000 0.438 290 G N 2.415 111.148 108.800 -0.110 0.000 2.361 290 G HA2 -0.206 3.759 3.960 0.008 0.000 0.294 290 G HA3 -0.206 3.759 3.960 0.008 0.000 0.294 290 G C 0.775 175.480 174.900 -0.325 0.000 1.004 290 G CA 0.976 45.727 45.100 -0.582 0.000 0.870 290 G HN 1.675 nan 8.290 nan 0.000 0.510 291 G N -2.657 106.038 108.800 -0.174 0.000 2.136 291 G HA2 0.033 3.998 3.960 0.008 0.000 0.242 291 G HA3 0.033 3.998 3.960 0.008 0.000 0.242 291 G C 0.278 175.084 174.900 -0.156 0.000 0.989 291 G CA 0.763 45.775 45.100 -0.147 0.000 0.682 291 G HN 1.722 nan 8.290 nan 0.000 0.522 292 S N -0.583 115.044 115.700 -0.123 0.000 2.632 292 S HA 0.814 5.289 4.470 0.008 0.000 0.289 292 S C -0.261 174.163 174.600 -0.293 0.000 1.115 292 S CA -0.843 57.202 58.200 -0.258 0.000 0.889 292 S CB 1.761 64.773 63.200 -0.315 0.000 1.116 292 S HN 0.299 nan 8.310 nan 0.000 0.486 293 I N 2.320 122.591 120.570 -0.498 0.000 2.354 293 I HA 0.430 4.605 4.170 0.008 0.000 0.292 293 I C -1.030 174.684 176.117 -0.671 0.000 0.989 293 I CA -0.426 60.606 61.300 -0.445 0.000 1.188 293 I CB 0.406 38.158 38.000 -0.414 0.000 1.342 293 I HN 0.609 nan 8.210 nan 0.000 0.457 294 Y N 5.427 125.382 120.300 -0.575 0.000 2.587 294 Y HA 0.620 5.175 4.550 0.008 0.000 0.337 294 Y C 0.217 175.769 175.900 -0.579 0.000 1.065 294 Y CA -0.747 56.957 58.100 -0.661 0.000 1.126 294 Y CB 2.331 40.168 38.460 -1.039 0.000 1.279 294 Y HN 0.306 nan 8.280 nan 0.000 0.489 295 I N 1.982 122.511 120.570 -0.069 0.000 2.545 295 I HA 0.271 4.446 4.170 0.008 0.000 0.292 295 I C -1.634 174.665 176.117 0.304 0.000 1.040 295 I CA -0.843 60.505 61.300 0.080 0.000 1.068 295 I CB 2.172 40.203 38.000 0.051 0.000 1.251 295 I HN 0.449 nan 8.210 nan 0.000 0.424 296 F N 6.807 126.873 119.950 0.193 0.000 2.477 296 F HA 0.393 4.925 4.527 0.008 0.000 0.335 296 F C -0.478 175.359 175.800 0.062 0.000 1.130 296 F CA -0.722 57.396 58.000 0.196 0.000 0.948 296 F CB 1.196 40.361 39.000 0.275 0.000 1.154 296 F HN 0.387 nan 8.300 nan 0.000 0.439 297 N N 7.786 126.173 118.700 -0.522 0.000 2.457 297 N HA 0.325 5.070 4.740 0.008 0.000 0.250 297 N C -2.165 172.816 175.510 -0.881 0.000 0.982 297 N CA -1.948 50.795 53.050 -0.511 0.000 0.941 297 N CB 1.716 40.059 38.487 -0.239 0.000 1.120 297 N HN 0.295 nan 8.380 nan 0.000 0.505 298 P HA -0.097 nan 4.420 nan 0.000 0.216 298 P C 0.053 177.209 177.300 -0.239 0.000 1.150 298 P CA 1.062 63.808 63.100 -0.591 0.000 0.837 298 P CB 0.269 31.744 31.700 -0.375 0.000 0.786 299 D N -2.201 118.089 120.400 -0.185 0.000 2.371 299 D HA -0.028 4.617 4.640 0.008 0.000 0.221 299 D C 1.146 177.402 176.300 -0.073 0.000 0.986 299 D CA 1.152 55.103 54.000 -0.082 0.000 0.899 299 D CB -0.397 40.366 40.800 -0.062 0.000 0.902 299 D HN 0.189 nan 8.370 nan 0.000 0.530 300 T N -1.312 113.167 114.554 -0.126 0.000 2.966 300 T HA 0.038 4.393 4.350 0.008 0.000 0.254 300 T C 0.657 175.327 174.700 -0.051 0.000 0.961 300 T CA -0.125 61.931 62.100 -0.074 0.000 0.915 300 T CB 1.146 69.970 68.868 -0.073 0.000 1.186 300 T HN 0.118 nan 8.240 nan 0.000 0.505 301 E N 0.955 121.072 120.200 -0.139 0.000 3.070 301 E HA -0.206 4.149 4.350 0.008 0.000 0.285 301 E C -0.001 176.687 176.600 0.147 0.000 0.972 301 E CA 0.502 56.935 56.400 0.055 0.000 0.915 301 E CB -0.717 29.101 29.700 0.197 0.000 1.466 301 E HN 0.427 nan 8.360 nan 0.000 0.432 302 K N 0.867 121.275 120.400 0.013 0.000 2.143 302 K HA 0.567 4.892 4.320 0.008 0.000 0.272 302 K C -0.398 176.328 176.600 0.209 0.000 1.001 302 K CA -0.447 55.902 56.287 0.103 0.000 0.915 302 K CB 0.722 33.248 32.500 0.043 0.000 1.047 302 K HN 0.162 nan 8.250 nan 0.000 0.458 303 I N 3.448 124.188 120.570 0.282 0.000 2.545 303 I HA 0.281 4.455 4.170 0.008 0.000 0.292 303 I C -0.894 175.404 176.117 0.301 0.000 1.040 303 I CA -0.651 60.880 61.300 0.385 0.000 1.068 303 I CB 2.130 40.434 38.000 0.508 0.000 1.251 303 I HN 0.696 nan 8.210 nan 0.000 0.424 304 E N 4.879 125.247 120.200 0.281 0.000 2.343 304 E HA 0.373 4.728 4.350 0.008 0.000 0.278 304 E C -1.419 175.243 176.600 0.102 0.000 0.910 304 E CA -1.219 55.300 56.400 0.199 0.000 0.757 304 E CB 2.464 32.222 29.700 0.096 0.000 1.218 304 E HN 0.407 nan 8.360 nan 0.000 0.435 305 K N 3.546 123.929 120.400 -0.029 0.000 2.322 305 K HA 0.247 4.572 4.320 0.008 0.000 0.283 305 K C -0.483 175.912 176.600 -0.342 0.000 1.042 305 K CA -0.419 55.565 56.287 -0.504 0.000 0.958 305 K CB 0.565 32.771 32.500 -0.490 0.000 0.984 305 K HN 0.524 nan 8.250 nan 0.000 0.473 306 I N 3.891 124.206 120.570 -0.425 0.000 2.474 306 I HA 0.048 4.223 4.170 0.008 0.000 0.287 306 I C 0.411 176.312 176.117 -0.359 0.000 1.048 306 I CA -0.432 60.670 61.300 -0.329 0.000 1.383 306 I CB 1.108 38.887 38.000 -0.369 0.000 1.412 306 I HN 0.520 nan 8.210 nan 0.000 0.531 307 E N 6.168 126.214 120.200 -0.256 0.000 2.152 307 E HA 0.214 4.569 4.350 0.008 0.000 0.285 307 E C 0.159 176.610 176.600 -0.249 0.000 1.043 307 E CA -0.047 56.227 56.400 -0.210 0.000 0.839 307 E CB 1.882 31.525 29.700 -0.094 0.000 1.069 307 E HN 0.461 nan 8.360 nan 0.000 0.399 308 I N 1.311 121.715 120.570 -0.277 0.000 4.033 308 I HA 0.143 4.318 4.170 0.008 0.000 0.296 308 I C 1.169 177.200 176.117 -0.144 0.000 1.210 308 I CA 0.945 62.100 61.300 -0.242 0.000 1.341 308 I CB -0.160 37.586 38.000 -0.424 0.000 1.369 308 I HN 0.717 nan 8.210 nan 0.000 0.453 309 G N 0.988 109.690 108.800 -0.164 0.000 2.697 309 G HA2 -0.240 3.725 3.960 0.008 0.000 0.240 309 G HA3 -0.240 3.725 3.960 0.008 0.000 0.240 309 G C -0.726 174.101 174.900 -0.122 0.000 1.346 309 G CA -0.356 44.674 45.100 -0.117 0.000 0.887 309 G HN 0.252 nan 8.290 nan 0.000 0.569 310 D N -0.451 119.898 120.400 -0.086 0.000 2.525 310 D HA 0.322 4.967 4.640 0.008 0.000 0.235 310 D C 1.106 177.351 176.300 -0.092 0.000 1.137 310 D CA 0.224 54.175 54.000 -0.081 0.000 0.868 310 D CB 1.104 41.876 40.800 -0.046 0.000 1.180 310 D HN 0.384 nan 8.370 nan 0.000 0.465 311 L N 1.207 122.350 121.223 -0.133 0.000 2.815 311 L HA 0.284 4.629 4.340 0.008 0.000 0.241 311 L C -0.043 176.801 176.870 -0.042 0.000 1.047 311 L CA 0.568 55.284 54.840 -0.207 0.000 0.939 311 L CB 0.349 42.050 42.059 -0.598 0.000 1.490 311 L HN 0.568 nan 8.230 nan 0.000 0.510 312 E N -1.203 118.990 120.200 -0.011 0.000 2.451 312 E HA 0.328 4.683 4.350 0.008 0.000 0.295 312 E C -1.503 175.131 176.600 0.057 0.000 0.966 312 E CA -0.099 56.362 56.400 0.102 0.000 0.808 312 E CB 1.546 31.399 29.700 0.255 0.000 1.242 312 E HN -0.175 nan 8.360 nan 0.000 0.412 313 S N 5.271 121.002 115.700 0.051 0.000 2.539 313 S HA 0.422 4.897 4.470 0.008 0.000 0.235 313 S C -2.253 172.363 174.600 0.027 0.000 1.326 313 S CA -1.021 57.193 58.200 0.024 0.000 1.183 313 S CB 0.659 63.860 63.200 0.002 0.000 1.073 313 S HN 0.477 nan 8.310 nan 0.000 0.480 314 P HA 0.275 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 -0.462 62.652 63.100 0.023 0.000 0.795 314 P CB 0.419 32.139 31.700 0.033 0.000 1.038 315 E N 0.277 120.475 120.200 -0.003 0.000 2.558 315 E HA -0.110 4.245 4.350 0.008 0.000 0.255 315 E C 0.614 177.196 176.600 -0.030 0.000 0.968 315 E CA 0.510 56.902 56.400 -0.013 0.000 0.939 315 E CB -0.158 29.536 29.700 -0.010 0.000 0.921 315 E HN 0.323 nan 8.360 nan 0.000 0.477 316 D N 3.444 123.825 120.400 -0.031 0.000 2.183 316 D HA -0.091 4.554 4.640 0.008 0.000 0.203 316 D C 0.280 176.550 176.300 -0.049 0.000 0.969 316 D CA 0.643 54.619 54.000 -0.041 0.000 0.842 316 D CB 0.225 41.022 40.800 -0.004 0.000 0.957 316 D HN 0.331 nan 8.370 nan 0.000 0.484 317 R N 0.501 120.982 120.500 -0.033 0.000 2.248 317 R HA 0.354 4.699 4.340 0.008 0.000 0.328 317 R C -0.383 175.894 176.300 -0.038 0.000 1.067 317 R CA -0.269 55.811 56.100 -0.034 0.000 0.924 317 R CB 0.131 30.420 30.300 -0.018 0.000 1.013 317 R HN 0.205 nan 8.270 nan 0.000 0.454 318 I N 1.415 121.954 120.570 -0.051 0.000 2.740 318 I HA 0.525 4.700 4.170 0.008 0.000 0.303 318 I C -0.589 175.510 176.117 -0.030 0.000 1.044 318 I CA -1.161 60.113 61.300 -0.043 0.000 1.064 318 I CB 1.980 39.942 38.000 -0.064 0.000 1.249 318 I HN 0.410 nan 8.210 nan 0.000 0.433 319 I N 2.956 123.519 120.570 -0.011 0.000 2.460 319 I HA 0.495 4.670 4.170 0.008 0.000 0.298 319 I C -0.166 175.968 176.117 0.028 0.000 0.989 319 I CA -0.203 61.101 61.300 0.007 0.000 1.173 319 I CB 1.940 39.946 38.000 0.010 0.000 1.338 319 I HN 0.672 nan 8.210 nan 0.000 0.456 320 S N 5.399 121.132 115.700 0.054 0.000 2.564 320 S HA 0.572 5.047 4.470 0.008 0.000 0.274 320 S C -0.471 174.232 174.600 0.172 0.000 1.124 320 S CA -0.623 57.663 58.200 0.144 0.000 0.869 320 S CB 2.025 65.300 63.200 0.124 0.000 1.105 320 S HN 0.342 nan 8.310 nan 0.000 0.472 321 I N 4.220 124.922 120.570 0.220 0.000 2.363 321 I HA 0.178 4.353 4.170 0.008 0.000 0.292 321 I C -1.212 175.002 176.117 0.162 0.000 1.075 321 I CA -1.876 59.489 61.300 0.108 0.000 1.333 321 I CB 0.880 38.893 38.000 0.021 0.000 1.415 321 I HN 0.485 nan 8.210 nan 0.000 0.502 322 P HA -0.229 nan 4.420 nan 0.000 0.216 322 P C 1.507 178.860 177.300 0.090 0.000 1.150 322 P CA 1.598 64.794 63.100 0.161 0.000 0.843 322 P CB 0.131 31.869 31.700 0.065 0.000 0.787 323 S N -0.505 115.154 115.700 -0.068 0.000 2.383 323 S HA -0.111 4.364 4.470 0.008 0.000 0.227 323 S C 2.056 176.559 174.600 -0.163 0.000 1.026 323 S CA 0.781 58.896 58.200 -0.141 0.000 0.981 323 S CB -0.884 62.209 63.200 -0.179 0.000 0.818 323 S HN -0.042 nan 8.310 nan 0.000 0.472 324 K N 0.946 121.185 120.400 -0.268 0.000 2.160 324 K HA -0.012 4.313 4.320 0.008 0.000 0.206 324 K C 0.650 176.751 176.600 -0.831 0.000 1.047 324 K CA 1.192 57.110 56.287 -0.615 0.000 0.930 324 K CB -0.447 31.483 32.500 -0.949 0.000 0.720 324 K HN 0.672 nan 8.250 nan 0.000 0.450 325 F N -0.450 119.531 119.950 0.052 0.000 2.698 325 F HA 0.357 4.888 4.527 0.008 0.000 0.304 325 F C 0.530 176.400 175.800 0.117 0.000 1.108 325 F CA -0.765 57.281 58.000 0.076 0.000 1.263 325 F CB -0.076 38.969 39.000 0.075 0.000 1.013 325 F HN -0.254 nan 8.300 nan 0.000 0.532 326 A N 1.750 124.680 122.820 0.184 0.000 2.462 326 A HA 0.506 4.830 4.320 0.008 0.000 0.243 326 A C 0.252 177.975 177.584 0.233 0.000 1.076 326 A CA 0.052 52.238 52.037 0.247 0.000 0.773 326 A CB 0.014 19.077 19.000 0.105 0.000 1.010 326 A HN 0.551 nan 8.150 nan 0.000 0.493 327 E N 1.161 121.543 120.200 0.303 0.000 2.372 327 E HA 0.497 4.852 4.350 0.008 0.000 0.279 327 E C -1.445 175.345 176.600 0.317 0.000 0.946 327 E CA -1.032 55.529 56.400 0.269 0.000 0.769 327 E CB 1.136 30.946 29.700 0.183 0.000 1.230 327 E HN 0.464 nan 8.360 nan 0.000 0.442 328 D N 0.737 121.320 120.400 0.305 0.000 5.070 328 D HA -0.172 4.473 4.640 0.008 0.000 0.239 328 D C -1.665 174.816 176.300 0.301 0.000 1.194 328 D CA 0.929 55.057 54.000 0.214 0.000 1.284 328 D CB -0.636 40.294 40.800 0.217 0.000 0.729 328 D HN 0.497 nan 8.370 nan 0.000 0.365 329 F N 1.105 121.168 119.950 0.188 0.000 2.518 329 F HA 0.707 5.239 4.527 0.008 0.000 0.323 329 F C -0.205 175.685 175.800 0.151 0.000 1.129 329 F CA -0.917 57.197 58.000 0.190 0.000 0.920 329 F CB 2.062 41.137 39.000 0.125 0.000 1.160 329 F HN 0.127 nan 8.300 nan 0.000 0.440 330 S N 4.129 119.919 115.700 0.149 0.000 2.547 330 S HA 0.695 5.170 4.470 0.008 0.000 0.281 330 S C -3.225 171.454 174.600 0.132 0.000 1.118 330 S CA -1.557 56.681 58.200 0.063 0.000 0.947 330 S CB 2.257 65.484 63.200 0.045 0.000 1.053 330 S HN 0.570 nan 8.310 nan 0.000 0.482 331 P HA 0.392 nan 4.420 nan 0.000 0.286 331 P C -0.899 176.455 177.300 0.089 0.000 1.269 331 P CA -0.473 62.686 63.100 0.098 0.000 0.787 331 P CB 0.806 32.548 31.700 0.071 0.000 0.920 332 L N 1.732 123.013 121.223 0.096 0.000 2.299 332 L HA 0.492 4.837 4.340 0.008 0.000 0.268 332 L C 0.739 177.669 176.870 0.101 0.000 1.012 332 L CA -1.184 53.723 54.840 0.111 0.000 0.816 332 L CB 0.483 42.621 42.059 0.132 0.000 1.355 332 L HN 0.202 nan 8.230 nan 0.000 0.457 333 D N 0.249 120.720 120.400 0.119 0.000 2.363 333 D HA 0.243 4.887 4.640 0.008 0.000 0.240 333 D C 0.973 177.332 176.300 0.098 0.000 1.236 333 D CA 1.137 55.194 54.000 0.095 0.000 0.927 333 D CB 0.479 41.333 40.800 0.090 0.000 1.150 333 D HN 0.804 nan 8.370 nan 0.000 0.458 334 G N 0.990 109.833 108.800 0.073 0.000 2.225 334 G HA2 -0.353 3.611 3.960 0.008 0.000 0.267 334 G HA3 -0.353 3.611 3.960 0.008 0.000 0.267 334 G C 0.458 175.392 174.900 0.057 0.000 1.024 334 G CA 0.825 45.963 45.100 0.063 0.000 0.784 334 G HN 0.797 nan 8.290 nan 0.000 0.507 335 D N -2.109 118.325 120.400 0.057 0.000 2.870 335 D HA -0.177 4.468 4.640 0.008 0.000 0.228 335 D C 0.650 176.986 176.300 0.060 0.000 1.147 335 D CA 1.501 55.534 54.000 0.055 0.000 0.757 335 D CB -1.263 39.567 40.800 0.051 0.000 1.091 335 D HN 0.771 nan 8.370 nan 0.000 0.429 336 L N -0.308 120.952 121.223 0.061 0.000 2.387 336 L HA 0.620 4.965 4.340 0.008 0.000 0.266 336 L C 0.694 177.607 176.870 0.072 0.000 1.059 336 L CA -1.092 53.777 54.840 0.049 0.000 0.801 336 L CB 1.065 43.120 42.059 -0.006 0.000 1.223 336 L HN -0.096 nan 8.230 nan 0.000 0.456 337 I N 0.661 121.285 120.570 0.090 0.000 2.569 337 I HA 0.618 4.793 4.170 0.008 0.000 0.296 337 I C -0.312 175.919 176.117 0.190 0.000 1.028 337 I CA -0.093 61.298 61.300 0.150 0.000 1.082 337 I CB 2.042 40.143 38.000 0.169 0.000 1.264 337 I HN 0.576 nan 8.210 nan 0.000 0.429 338 A N 5.712 128.669 122.820 0.229 0.000 2.374 338 A HA 0.958 5.283 4.320 0.008 0.000 0.317 338 A C -1.264 176.549 177.584 0.381 0.000 1.094 338 A CA -0.423 51.753 52.037 0.232 0.000 0.765 338 A CB 1.102 20.195 19.000 0.155 0.000 1.268 338 A HN 0.676 nan 8.150 nan 0.000 0.438 339 F N -0.174 119.893 119.950 0.195 0.000 2.678 339 F HA 0.683 5.214 4.527 0.007 0.000 0.308 339 F C -1.629 174.315 175.800 0.239 0.000 1.118 339 F CA -1.078 57.053 58.000 0.220 0.000 0.959 339 F CB 0.901 40.035 39.000 0.222 0.000 1.305 339 F HN 0.386 nan 8.300 nan 0.000 0.443 340 V N 2.205 122.272 119.914 0.255 0.000 2.472 340 V HA 0.751 4.876 4.120 0.008 0.000 0.290 340 V C -0.572 175.713 176.094 0.319 0.000 1.037 340 V CA -0.356 62.017 62.300 0.122 0.000 0.908 340 V CB 1.577 33.449 31.823 0.081 0.000 0.985 340 V HN 0.919 nan 8.190 nan 0.000 0.454 341 S N 4.020 119.882 115.700 0.270 0.000 2.603 341 S HA 0.512 4.987 4.470 0.008 0.000 0.274 341 S C 0.023 174.769 174.600 0.242 0.000 1.168 341 S CA -0.710 57.709 58.200 0.364 0.000 0.963 341 S CB 0.796 64.327 63.200 0.551 0.000 1.078 341 S HN 0.773 nan 8.310 nan 0.000 0.477 342 R N 2.689 123.304 120.500 0.192 0.000 3.405 342 R HA -0.224 4.121 4.340 0.008 0.000 0.258 342 R C 0.981 177.273 176.300 -0.013 0.000 1.030 342 R CA 1.170 57.288 56.100 0.031 0.000 0.691 342 R CB -1.803 28.440 30.300 -0.095 0.000 1.093 342 R HN 1.729 nan 8.270 nan 0.000 0.448 343 G N -1.142 107.650 108.800 -0.013 0.000 2.162 343 G HA2 -0.351 3.614 3.960 0.008 0.000 0.260 343 G HA3 -0.351 3.614 3.960 0.008 0.000 0.260 343 G C -0.014 174.819 174.900 -0.112 0.000 0.976 343 G CA 0.840 45.898 45.100 -0.070 0.000 0.655 343 G HN 0.530 nan 8.290 nan 0.000 0.533 344 Q N -0.502 119.234 119.800 -0.107 0.000 2.297 344 Q HA 0.788 5.133 4.340 0.008 0.000 0.269 344 Q C -0.088 175.650 176.000 -0.437 0.000 1.051 344 Q CA -0.241 55.388 55.803 -0.290 0.000 0.869 344 Q CB 2.197 30.794 28.738 -0.235 0.000 1.346 344 Q HN 0.804 nan 8.270 nan 0.000 0.457 345 A N 1.109 123.440 122.820 -0.815 0.000 2.413 345 A HA 0.881 5.205 4.320 0.008 0.000 0.307 345 A C -1.557 175.305 177.584 -1.203 0.000 1.087 345 A CA -0.466 51.129 52.037 -0.737 0.000 0.750 345 A CB 0.953 19.678 19.000 -0.458 0.000 1.296 345 A HN 0.555 nan 8.150 nan 0.000 0.423 346 F N 0.161 119.803 119.950 -0.513 0.000 2.608 346 F HA 0.594 5.126 4.527 0.008 0.000 0.309 346 F C -0.664 175.016 175.800 -0.201 0.000 1.103 346 F CA -0.496 57.272 58.000 -0.386 0.000 0.954 346 F CB 1.948 40.637 39.000 -0.518 0.000 1.267 346 F HN 0.277 nan 8.300 nan 0.000 0.444 347 I N 2.748 123.370 120.570 0.085 0.000 2.354 347 I HA 0.486 4.660 4.170 0.008 0.000 0.292 347 I C -0.497 175.664 176.117 0.073 0.000 0.989 347 I CA -0.259 61.041 61.300 0.001 0.000 1.188 347 I CB 1.558 39.417 38.000 -0.235 0.000 1.342 347 I HN 0.703 nan 8.210 nan 0.000 0.457 348 Q N 4.834 124.700 119.800 0.110 0.000 2.626 348 Q HA 0.535 4.880 4.340 0.008 0.000 0.300 348 Q C -1.744 174.327 176.000 0.118 0.000 0.988 348 Q CA -1.105 54.783 55.803 0.143 0.000 0.761 348 Q CB 1.974 30.836 28.738 0.206 0.000 1.494 348 Q HN 0.535 nan 8.270 nan 0.000 0.439 349 D N 0.380 120.868 120.400 0.146 0.000 2.348 349 D HA 0.072 4.717 4.640 0.008 0.000 0.249 349 D C 1.334 177.695 176.300 0.101 0.000 1.110 349 D CA -0.070 54.010 54.000 0.133 0.000 0.967 349 D CB 1.662 42.591 40.800 0.215 0.000 1.139 349 D HN 0.607 nan 8.370 nan 0.000 0.466 350 V N -0.122 119.840 119.914 0.080 0.000 2.392 350 V HA -0.261 3.864 4.120 0.008 0.000 0.249 350 V C 2.240 178.345 176.094 0.018 0.000 1.059 350 V CA 2.745 65.073 62.300 0.046 0.000 1.051 350 V CB -1.402 30.448 31.823 0.044 0.000 0.658 350 V HN 0.714 nan 8.190 nan 0.000 0.455 351 S N 0.934 116.655 115.700 0.035 0.000 2.442 351 S HA 0.131 4.606 4.470 0.008 0.000 0.236 351 S C 1.900 176.484 174.600 -0.025 0.000 1.007 351 S CA 1.355 59.556 58.200 0.002 0.000 0.965 351 S CB -0.795 62.415 63.200 0.017 0.000 0.773 351 S HN 2.234 nan 8.310 nan 0.000 0.504 352 G N 0.145 108.945 108.800 0.000 0.000 2.147 352 G HA2 -0.298 3.666 3.960 0.008 0.000 0.244 352 G HA3 -0.298 3.666 3.960 0.008 0.000 0.244 352 G C 0.629 175.494 174.900 -0.058 0.000 1.005 352 G CA 0.983 46.072 45.100 -0.017 0.000 0.713 352 G HN 0.772 nan 8.290 nan 0.000 0.515 353 T N -1.496 112.995 114.554 -0.105 0.000 3.010 353 T HA 0.251 4.606 4.350 0.008 0.000 0.252 353 T C 0.793 175.259 174.700 -0.391 0.000 1.047 353 T CA 1.045 62.968 62.100 -0.295 0.000 1.140 353 T CB 0.075 68.682 68.868 -0.436 0.000 0.885 353 T HN 0.376 nan 8.240 nan 0.000 0.464 354 Y N 1.908 122.225 120.300 0.027 0.000 2.491 354 Y HA 0.602 5.155 4.550 0.006 0.000 0.334 354 Y C -0.558 175.372 175.900 0.050 0.000 0.969 354 Y CA -1.032 57.090 58.100 0.037 0.000 1.241 354 Y CB 1.139 39.620 38.460 0.034 0.000 1.105 354 Y HN -0.119 nan 8.280 nan 0.000 0.503 355 V N 5.484 125.494 119.914 0.160 0.000 2.495 355 V HA 0.480 4.604 4.120 0.008 0.000 0.298 355 V C -0.347 175.852 176.094 0.175 0.000 1.031 355 V CA -1.004 61.391 62.300 0.159 0.000 0.871 355 V CB 2.073 33.967 31.823 0.117 0.000 0.988 355 V HN 0.579 nan 8.190 nan 0.000 0.432 356 L N 4.048 125.382 121.223 0.186 0.000 2.356 356 L HA 0.586 4.931 4.340 0.008 0.000 0.277 356 L C -0.198 176.754 176.870 0.136 0.000 0.996 356 L CA -0.579 54.358 54.840 0.162 0.000 0.822 356 L CB 2.072 44.225 42.059 0.157 0.000 1.256 356 L HN 0.597 nan 8.230 nan 0.000 0.413 357 K N 2.269 122.695 120.400 0.044 0.000 2.172 357 K HA 0.458 4.783 4.320 0.008 0.000 0.276 357 K C -0.738 175.631 176.600 -0.387 0.000 1.013 357 K CA -0.601 55.520 56.287 -0.275 0.000 0.913 357 K CB 1.467 33.843 32.500 -0.208 0.000 1.055 357 K HN 0.329 nan 8.250 nan 0.000 0.461 358 V N 6.673 126.217 119.914 -0.617 0.000 2.572 358 V HA 0.111 4.236 4.120 0.008 0.000 0.291 358 V C -1.748 173.939 176.094 -0.678 0.000 1.039 358 V CA -1.195 60.622 62.300 -0.804 0.000 1.055 358 V CB 0.787 32.119 31.823 -0.819 0.000 0.969 358 V HN 0.846 nan 8.190 nan 0.000 0.482 359 P HA 0.288 nan 4.420 nan 0.000 0.237 359 P C -0.438 176.634 177.300 -0.380 0.000 1.788 359 P CA 0.047 62.910 63.100 -0.395 0.000 1.061 359 P CB 0.335 31.877 31.700 -0.262 0.000 1.967 360 E N 2.703 122.662 120.200 -0.401 0.000 2.304 360 E HA 0.317 4.671 4.350 0.008 0.000 0.277 360 E C -2.272 174.184 176.600 -0.240 0.000 0.898 360 E CA -1.813 54.371 56.400 -0.360 0.000 0.764 360 E CB 2.429 31.813 29.700 -0.528 0.000 1.216 360 E HN 0.272 nan 8.360 nan 0.000 0.419 361 P HA 0.045 nan 4.420 nan 0.000 0.272 361 P C 0.419 177.765 177.300 0.076 0.000 1.248 361 P CA -0.367 62.711 63.100 -0.038 0.000 0.799 361 P CB 0.925 32.620 31.700 -0.007 0.000 0.997 362 L N 0.391 121.634 121.223 0.032 0.000 2.554 362 L HA -0.073 4.272 4.340 0.008 0.000 0.293 362 L C 1.029 177.877 176.870 -0.038 0.000 1.252 362 L CA 0.570 55.405 54.840 -0.008 0.000 0.862 362 L CB -0.300 41.735 42.059 -0.040 0.000 1.113 362 L HN 0.533 nan 8.230 nan 0.000 0.510 363 R N 3.180 123.613 120.500 -0.112 0.000 2.814 363 R HA -0.065 4.280 4.340 0.008 0.000 0.292 363 R C -1.460 174.711 176.300 -0.216 0.000 0.983 363 R CA 0.351 56.336 56.100 -0.191 0.000 0.646 363 R CB -1.796 28.363 30.300 -0.234 0.000 1.571 363 R HN 0.499 nan 8.270 nan 0.000 0.422 364 I N 3.553 124.045 120.570 -0.130 0.000 2.321 364 I HA 0.254 4.428 4.170 0.008 0.000 0.291 364 I C 1.653 177.687 176.117 -0.138 0.000 0.998 364 I CA -0.531 60.721 61.300 -0.079 0.000 1.227 364 I CB 1.326 39.236 38.000 -0.150 0.000 1.368 364 I HN 0.344 nan 8.210 nan 0.000 0.466 365 R N 4.505 124.900 120.500 -0.175 0.000 2.105 365 R HA 0.163 4.508 4.340 0.008 0.000 0.214 365 R C -0.515 175.405 176.300 -0.633 0.000 1.091 365 R CA 0.817 56.622 56.100 -0.492 0.000 1.007 365 R CB 0.316 30.195 30.300 -0.702 0.000 0.912 365 R HN 0.466 nan 8.270 nan 0.000 0.450 366 Y N -0.981 119.365 120.300 0.076 0.000 2.553 366 Y HA 0.500 5.055 4.550 0.008 0.000 0.347 366 Y C -0.671 175.320 175.900 0.151 0.000 1.019 366 Y CA -1.296 56.860 58.100 0.093 0.000 1.032 366 Y CB 2.306 40.814 38.460 0.080 0.000 1.284 366 Y HN -0.383 nan 8.280 nan 0.000 0.466 367 V N 2.149 122.250 119.914 0.312 0.000 2.686 367 V HA 0.713 4.838 4.120 0.008 0.000 0.306 367 V C -0.950 175.272 176.094 0.213 0.000 1.065 367 V CA -0.822 61.636 62.300 0.264 0.000 0.894 367 V CB 2.001 33.934 31.823 0.185 0.000 1.004 367 V HN 0.653 nan 8.190 nan 0.000 0.424 368 R N 2.027 122.651 120.500 0.207 0.000 2.604 368 R HA 0.557 4.902 4.340 0.008 0.000 0.281 368 R C -0.632 175.759 176.300 0.151 0.000 1.020 368 R CA -0.969 55.222 56.100 0.152 0.000 0.899 368 R CB 1.440 31.814 30.300 0.123 0.000 1.205 368 R HN 0.840 nan 8.270 nan 0.000 0.450 369 R N 1.320 121.897 120.500 0.128 0.000 2.485 369 R HA 0.105 4.450 4.340 0.008 0.000 0.304 369 R C 0.319 176.673 176.300 0.090 0.000 0.934 369 R CA 1.487 57.661 56.100 0.124 0.000 1.102 369 R CB -0.019 30.340 30.300 0.098 0.000 0.906 369 R HN 0.765 nan 8.270 nan 0.000 0.407 370 G N 1.848 110.699 108.800 0.087 0.000 3.079 370 G HA2 0.447 4.412 3.960 0.008 0.000 0.233 370 G HA3 0.447 4.412 3.960 0.008 0.000 0.233 370 G C 0.241 175.146 174.900 0.008 0.000 1.062 370 G CA 0.249 45.375 45.100 0.043 0.000 0.809 370 G HN 0.979 nan 8.290 nan 0.000 0.535 371 G N -0.440 108.365 108.800 0.010 0.000 2.317 371 G HA2 0.281 4.245 3.960 0.008 0.000 0.293 371 G HA3 0.281 4.245 3.960 0.008 0.000 0.293 371 G C -0.315 174.570 174.900 -0.026 0.000 1.287 371 G CA 0.130 45.218 45.100 -0.020 0.000 0.850 371 G HN -0.176 nan 8.290 nan 0.000 0.515 372 D N -0.046 120.327 120.400 -0.046 0.000 2.160 372 D HA -0.146 4.499 4.640 0.008 0.000 0.189 372 D C 2.280 178.525 176.300 -0.092 0.000 1.003 372 D CA 2.793 56.766 54.000 -0.044 0.000 0.846 372 D CB -0.114 40.651 40.800 -0.059 0.000 0.949 372 D HN 0.734 nan 8.370 nan 0.000 0.446 373 T N -2.984 111.405 114.554 -0.274 0.000 3.288 373 T HA 0.349 4.704 4.350 0.008 0.000 0.293 373 T C 0.226 174.316 174.700 -1.016 0.000 1.008 373 T CA -0.640 61.000 62.100 -0.768 0.000 0.929 373 T CB 0.629 69.105 68.868 -0.654 0.000 1.152 373 T HN -0.118 nan 8.240 nan 0.000 0.517 374 K N 0.494 120.648 120.400 -0.410 0.000 2.267 374 K HA 0.805 5.130 4.320 0.008 0.000 0.246 374 K C -1.598 175.031 176.600 0.048 0.000 0.954 374 K CA -1.059 55.101 56.287 -0.211 0.000 0.824 374 K CB 2.974 35.401 32.500 -0.121 0.000 1.167 374 K HN 0.070 nan 8.250 nan 0.000 0.431 375 V N 1.030 121.045 119.914 0.167 0.000 2.808 375 V HA 0.658 4.783 4.120 0.008 0.000 0.308 375 V C -1.471 174.788 176.094 0.275 0.000 1.099 375 V CA -0.518 61.943 62.300 0.269 0.000 0.920 375 V CB 1.830 33.891 31.823 0.397 0.000 1.014 375 V HN 0.941 nan 8.190 nan 0.000 0.425 376 A N 5.931 128.873 122.820 0.202 0.000 2.303 376 A HA 1.002 5.327 4.320 0.008 0.000 0.317 376 A C -0.863 176.856 177.584 0.225 0.000 1.149 376 A CA -0.353 51.754 52.037 0.116 0.000 0.822 376 A CB 0.836 19.882 19.000 0.076 0.000 1.131 376 A HN 1.517 nan 8.150 nan 0.000 0.493 377 F N -0.179 119.866 119.950 0.159 0.000 2.643 377 F HA 0.766 5.298 4.527 0.008 0.000 0.314 377 F C -1.182 174.731 175.800 0.188 0.000 1.096 377 F CA -1.595 56.501 58.000 0.160 0.000 0.953 377 F CB 1.111 40.176 39.000 0.109 0.000 1.345 377 F HN 0.244 nan 8.300 nan 0.000 0.468 378 I N 2.595 123.447 120.570 0.470 0.000 2.362 378 I HA 0.235 4.410 4.170 0.008 0.000 0.289 378 I C -0.636 175.726 176.117 0.408 0.000 0.994 378 I CA -0.326 61.195 61.300 0.369 0.000 1.158 378 I CB 0.942 39.159 38.000 0.362 0.000 1.315 378 I HN 0.786 nan 8.210 nan 0.000 0.451 379 H N 5.488 124.773 119.070 0.358 0.000 2.504 379 H HA 0.547 5.107 4.556 0.008 0.000 0.322 379 H C -0.404 175.074 175.328 0.250 0.000 1.055 379 H CA -0.369 55.857 56.048 0.298 0.000 1.231 379 H CB 1.703 31.688 29.762 0.371 0.000 1.417 379 H HN 0.757 nan 8.280 nan 0.000 0.472 380 G N 3.192 111.788 108.800 -0.340 0.000 2.356 380 G HA2 0.428 4.393 3.960 0.008 0.000 0.322 380 G HA3 0.428 4.393 3.960 0.008 0.000 0.322 380 G C -0.176 174.576 174.900 -0.247 0.000 1.125 380 G CA -0.247 44.732 45.100 -0.203 0.000 0.885 380 G HN 0.707 nan 8.290 nan 0.000 0.467 381 T N -0.999 113.574 114.554 0.032 0.000 2.742 381 T HA 0.387 4.742 4.350 0.008 0.000 0.282 381 T C 1.269 176.042 174.700 0.121 0.000 1.025 381 T CA -0.734 61.427 62.100 0.101 0.000 1.020 381 T CB 1.773 70.793 68.868 0.254 0.000 1.317 381 T HN 0.383 nan 8.240 nan 0.000 0.538 382 R N 0.052 120.632 120.500 0.134 0.000 2.120 382 R HA -0.047 4.298 4.340 0.008 0.000 0.234 382 R C 1.798 178.187 176.300 0.148 0.000 1.123 382 R CA 1.448 57.632 56.100 0.140 0.000 0.975 382 R CB -0.126 30.248 30.300 0.123 0.000 0.866 382 R HN 0.635 nan 8.270 nan 0.000 0.446 383 E N -0.539 119.771 120.200 0.184 0.000 2.216 383 E HA 0.097 4.452 4.350 0.008 0.000 0.192 383 E C 0.931 177.601 176.600 0.118 0.000 0.988 383 E CA 1.039 57.553 56.400 0.190 0.000 0.834 383 E CB 0.371 30.247 29.700 0.292 0.000 0.772 383 E HN 0.507 nan 8.360 nan 0.000 0.479 384 G N 0.365 109.218 108.800 0.089 0.000 2.352 384 G HA2 0.001 3.966 3.960 0.008 0.000 0.283 384 G HA3 0.001 3.966 3.960 0.008 0.000 0.283 384 G C -1.815 172.899 174.900 -0.310 0.000 1.308 384 G CA -0.815 44.197 45.100 -0.147 0.000 0.892 384 G HN -0.086 nan 8.290 nan 0.000 0.504 385 D N -0.001 120.137 120.400 -0.436 0.000 2.175 385 D HA 0.725 5.370 4.640 0.008 0.000 0.248 385 D C -0.713 175.201 176.300 -0.643 0.000 1.047 385 D CA 0.461 54.260 54.000 -0.335 0.000 0.883 385 D CB 1.333 42.050 40.800 -0.139 0.000 1.180 385 D HN 0.198 nan 8.370 nan 0.000 0.438 386 F N 0.545 120.575 119.950 0.133 0.000 2.588 386 F HA 0.279 4.810 4.527 0.008 0.000 0.310 386 F C -0.088 175.799 175.800 0.146 0.000 1.082 386 F CA -1.128 56.961 58.000 0.149 0.000 0.929 386 F CB 1.531 40.635 39.000 0.173 0.000 1.254 386 F HN -0.010 nan 8.300 nan 0.000 0.455 387 L N 2.157 123.569 121.223 0.315 0.000 2.326 387 L HA 0.802 5.147 4.340 0.008 0.000 0.278 387 L C -0.138 176.774 176.870 0.070 0.000 1.092 387 L CA 0.313 55.276 54.840 0.204 0.000 0.810 387 L CB 0.709 42.919 42.059 0.252 0.000 1.153 387 L HN 0.800 nan 8.230 nan 0.000 0.439 388 G N 5.178 113.687 108.800 -0.486 0.000 2.642 388 G HA2 0.694 4.659 3.960 0.008 0.000 0.293 388 G HA3 0.694 4.659 3.960 0.008 0.000 0.293 388 G C -1.435 172.769 174.900 -1.160 0.000 1.341 388 G CA -0.524 43.890 45.100 -1.143 0.000 0.916 388 G HN 0.541 nan 8.290 nan 0.000 0.474 389 I N -0.019 120.147 120.570 -0.673 0.000 2.730 389 I HA 0.485 4.660 4.170 0.008 0.000 0.298 389 I C -1.630 174.630 176.117 0.240 0.000 1.089 389 I CA -1.014 60.191 61.300 -0.158 0.000 1.041 389 I CB 2.750 40.690 38.000 -0.100 0.000 1.235 389 I HN 0.533 nan 8.210 nan 0.000 0.423 390 Y N 4.238 124.656 120.300 0.197 0.000 2.441 390 Y HA 0.393 4.948 4.550 0.008 0.000 0.334 390 Y C -1.571 174.393 175.900 0.108 0.000 1.061 390 Y CA -1.142 57.080 58.100 0.204 0.000 1.032 390 Y CB 1.637 40.275 38.460 0.296 0.000 1.266 390 Y HN 0.497 nan 8.280 nan 0.000 0.441 391 D N 5.435 125.552 120.400 -0.472 0.000 2.443 391 D HA 0.091 4.736 4.640 0.008 0.000 0.221 391 D C 0.215 175.960 176.300 -0.923 0.000 1.097 391 D CA -0.338 53.303 54.000 -0.598 0.000 0.865 391 D CB 0.381 40.988 40.800 -0.322 0.000 1.034 391 D HN 0.681 nan 8.370 nan 0.000 0.511 392 Y N 2.775 122.569 120.300 -0.843 0.000 2.616 392 Y HA 0.117 4.671 4.550 0.007 0.000 0.296 392 Y C 2.059 177.819 175.900 -0.233 0.000 1.154 392 Y CA 0.136 57.878 58.100 -0.596 0.000 1.325 392 Y CB -0.284 38.039 38.460 -0.227 0.000 1.007 392 Y HN 0.259 nan 8.280 nan 0.000 0.542 393 R N 1.160 121.493 120.500 -0.278 0.000 2.064 393 R HA -0.074 4.271 4.340 0.008 0.000 0.221 393 R C 2.190 178.439 176.300 -0.085 0.000 1.136 393 R CA 1.715 57.744 56.100 -0.118 0.000 0.980 393 R CB -0.477 29.716 30.300 -0.179 0.000 0.876 393 R HN 0.467 nan 8.270 nan 0.000 0.437 394 T N -3.348 111.127 114.554 -0.131 0.000 2.985 394 T HA 0.170 4.525 4.350 0.008 0.000 0.266 394 T C 1.476 176.154 174.700 -0.037 0.000 1.076 394 T CA 1.010 63.065 62.100 -0.074 0.000 1.135 394 T CB 0.320 69.139 68.868 -0.082 0.000 0.890 394 T HN 0.521 nan 8.240 nan 0.000 0.480 395 G N 2.109 110.874 108.800 -0.059 0.000 2.234 395 G HA2 -0.271 3.694 3.960 0.008 0.000 0.235 395 G HA3 -0.271 3.694 3.960 0.008 0.000 0.235 395 G C 0.152 175.129 174.900 0.127 0.000 0.997 395 G CA 0.169 45.310 45.100 0.068 0.000 0.623 395 G HN 1.023 nan 8.290 nan 0.000 0.514 396 K N -0.056 120.364 120.400 0.034 0.000 2.440 396 K HA 0.575 4.900 4.320 0.008 0.000 0.270 396 K C 0.019 176.718 176.600 0.165 0.000 0.980 396 K CA 0.412 56.735 56.287 0.061 0.000 0.953 396 K CB 1.100 33.602 32.500 0.003 0.000 0.925 396 K HN 1.401 nan 8.250 nan 0.000 0.497 397 A N 2.235 125.148 122.820 0.154 0.000 2.893 397 A HA 0.122 4.447 4.320 0.008 0.000 0.298 397 A C -0.682 176.943 177.584 0.069 0.000 1.227 397 A CA -0.739 51.432 52.037 0.224 0.000 0.845 397 A CB 0.237 19.424 19.000 0.311 0.000 1.430 397 A HN 0.882 nan 8.150 nan 0.000 0.493 398 E N 1.284 121.462 120.200 -0.037 0.000 2.391 398 E HA 0.435 4.789 4.350 0.008 0.000 0.255 398 E C -0.289 176.148 176.600 -0.272 0.000 1.187 398 E CA -0.118 56.180 56.400 -0.170 0.000 0.941 398 E CB 0.620 30.168 29.700 -0.253 0.000 1.010 398 E HN 0.423 nan 8.360 nan 0.000 0.458 399 K N 2.983 123.174 120.400 -0.348 0.000 2.695 399 K HA 0.180 4.504 4.320 0.008 0.000 0.255 399 K C -1.315 175.104 176.600 -0.301 0.000 1.016 399 K CA -0.421 55.657 56.287 -0.348 0.000 0.928 399 K CB 0.431 32.850 32.500 -0.135 0.000 1.235 399 K HN 0.370 nan 8.250 nan 0.000 0.467 400 F N 2.352 122.289 119.950 -0.022 0.000 2.586 400 F HA -0.063 4.468 4.527 0.008 0.000 0.344 400 F C 1.982 177.794 175.800 0.022 0.000 1.188 400 F CA 0.206 58.214 58.000 0.013 0.000 1.359 400 F CB 0.602 39.627 39.000 0.041 0.000 1.129 400 F HN 0.585 nan 8.300 nan 0.000 0.609 401 E N -0.018 120.324 120.200 0.238 0.000 2.498 401 E HA 0.026 4.381 4.350 0.008 0.000 0.203 401 E C -0.376 176.418 176.600 0.322 0.000 1.013 401 E CA 0.163 56.622 56.400 0.098 0.000 0.927 401 E CB -0.265 29.445 29.700 0.017 0.000 1.012 401 E HN 0.523 nan 8.360 nan 0.000 0.482 402 E N 2.042 122.452 120.200 0.351 0.000 2.299 402 E HA 0.091 4.445 4.350 0.008 0.000 0.272 402 E C -0.424 176.386 176.600 0.349 0.000 1.043 402 E CA -0.145 56.419 56.400 0.274 0.000 0.895 402 E CB 0.533 30.305 29.700 0.119 0.000 1.011 402 E HN 0.247 nan 8.360 nan 0.000 0.432 403 N N 3.357 122.189 118.700 0.219 0.000 2.470 403 N HA 0.043 4.788 4.740 0.008 0.000 0.268 403 N C 0.552 175.940 175.510 -0.203 0.000 1.136 403 N CA -0.266 52.649 53.050 -0.225 0.000 0.961 403 N CB 0.493 38.916 38.487 -0.106 0.000 1.067 403 N HN 0.357 nan 8.380 nan 0.000 0.468 404 L N 3.122 124.167 121.223 -0.297 0.000 2.607 404 L HA 0.347 4.692 4.340 0.008 0.000 0.228 404 L C 1.324 178.122 176.870 -0.121 0.000 1.123 404 L CA 0.084 54.837 54.840 -0.145 0.000 0.890 404 L CB -0.647 41.359 42.059 -0.089 0.000 1.103 404 L HN 0.899 nan 8.230 nan 0.000 0.468 405 G N 0.683 109.379 108.800 -0.174 0.000 2.508 405 G HA2 -0.229 3.735 3.960 0.008 0.000 0.220 405 G HA3 -0.229 3.735 3.960 0.008 0.000 0.220 405 G C -0.534 174.321 174.900 -0.076 0.000 1.287 405 G CA -0.694 44.346 45.100 -0.100 0.000 0.916 405 G HN 0.171 nan 8.290 nan 0.000 0.574 406 N N 0.810 119.522 118.700 0.020 0.000 2.500 406 N HA 0.432 5.177 4.740 0.008 0.000 0.236 406 N C 0.106 175.711 175.510 0.158 0.000 1.022 406 N CA -0.125 52.971 53.050 0.076 0.000 0.935 406 N CB 1.594 40.211 38.487 0.215 0.000 1.147 406 N HN 0.548 nan 8.380 nan 0.000 0.512 407 V N 2.792 122.715 119.914 0.014 0.000 2.530 407 V HA 0.194 4.319 4.120 0.008 0.000 0.282 407 V C 0.617 176.705 176.094 -0.010 0.000 1.048 407 V CA 0.148 62.504 62.300 0.093 0.000 0.997 407 V CB 0.345 32.231 31.823 0.107 0.000 0.987 407 V HN 0.540 nan 8.190 nan 0.000 0.477 408 F N 2.079 122.130 119.950 0.168 0.000 2.767 408 F HA 0.650 5.182 4.527 0.008 0.000 0.323 408 F C 0.788 176.564 175.800 -0.040 0.000 1.091 408 F CA 0.431 58.536 58.000 0.175 0.000 1.192 408 F CB 0.635 39.717 39.000 0.137 0.000 1.056 408 F HN 0.567 nan 8.300 nan 0.000 0.571 409 A N 0.825 123.650 122.820 0.009 0.000 2.594 409 A HA 0.798 5.123 4.320 0.008 0.000 0.295 409 A C -1.346 176.230 177.584 -0.014 0.000 1.071 409 A CA -0.496 51.454 52.037 -0.145 0.000 0.685 409 A CB 2.098 21.103 19.000 0.008 0.000 1.285 409 A HN -0.008 nan 8.150 nan 0.000 0.405 410 M N 1.185 120.757 119.600 -0.048 0.000 2.414 410 M HA 0.609 5.094 4.480 0.008 0.000 0.287 410 M C -0.858 175.559 176.300 0.196 0.000 1.181 410 M CA 0.012 55.388 55.300 0.127 0.000 0.933 410 M CB 2.023 34.620 32.600 -0.005 0.000 1.732 410 M HN 1.528 nan 8.290 nan 0.000 0.486 411 G N 2.174 111.158 108.800 0.306 0.000 2.704 411 G HA2 0.698 4.663 3.960 0.008 0.000 0.293 411 G HA3 0.698 4.663 3.960 0.008 0.000 0.293 411 G C -2.200 172.796 174.900 0.160 0.000 1.421 411 G CA -0.444 44.819 45.100 0.270 0.000 0.870 411 G HN 0.571 nan 8.290 nan 0.000 0.492 412 V N 1.528 121.490 119.914 0.080 0.000 2.735 412 V HA 0.452 4.577 4.120 0.008 0.000 0.310 412 V C -0.584 175.435 176.094 -0.125 0.000 1.061 412 V CA -0.979 61.301 62.300 -0.033 0.000 0.913 412 V CB 1.969 33.786 31.823 -0.011 0.000 1.005 412 V HN 0.954 nan 8.190 nan 0.000 0.428 413 D N 3.324 123.493 120.400 -0.385 0.000 2.362 413 D HA 0.053 4.697 4.640 0.008 0.000 0.242 413 D C 0.959 177.130 176.300 -0.215 0.000 1.132 413 D CA -0.551 53.205 54.000 -0.408 0.000 0.907 413 D CB 1.311 41.563 40.800 -0.914 0.000 1.195 413 D HN 0.498 nan 8.370 nan 0.000 0.429 414 R N 1.624 122.055 120.500 -0.115 0.000 2.170 414 R HA -0.176 4.169 4.340 0.008 0.000 0.242 414 R C 0.705 176.965 176.300 -0.066 0.000 1.145 414 R CA 1.473 57.540 56.100 -0.056 0.000 0.984 414 R CB -0.236 30.055 30.300 -0.015 0.000 0.869 414 R HN 0.564 nan 8.270 nan 0.000 0.455 415 N N -0.684 117.953 118.700 -0.104 0.000 2.313 415 N HA 0.110 4.855 4.740 0.008 0.000 0.207 415 N C 0.251 175.708 175.510 -0.088 0.000 1.141 415 N CA 0.322 53.326 53.050 -0.077 0.000 0.830 415 N CB 0.990 39.442 38.487 -0.058 0.000 1.008 415 N HN 0.318 nan 8.380 nan 0.000 0.481 416 G N 1.260 109.991 108.800 -0.115 0.000 2.337 416 G HA2 -0.373 3.592 3.960 0.008 0.000 0.290 416 G HA3 -0.373 3.592 3.960 0.008 0.000 0.290 416 G C 0.961 175.817 174.900 -0.073 0.000 1.003 416 G CA 1.111 46.157 45.100 -0.090 0.000 0.825 416 G HN 0.358 nan 8.290 nan 0.000 0.509 417 K N -1.135 119.194 120.400 -0.118 0.000 2.099 417 K HA 0.372 4.697 4.320 0.008 0.000 0.203 417 K C 0.975 177.627 176.600 0.087 0.000 1.047 417 K CA 1.279 57.572 56.287 0.010 0.000 0.963 417 K CB 0.117 32.683 32.500 0.111 0.000 0.759 417 K HN 0.666 nan 8.250 nan 0.000 0.451 418 F N -1.820 118.134 119.950 0.005 0.000 2.675 418 F HA 0.802 5.334 4.527 0.009 0.000 0.324 418 F C -0.992 174.813 175.800 0.009 0.000 1.106 418 F CA -1.824 56.172 58.000 -0.006 0.000 0.970 418 F CB 1.008 39.996 39.000 -0.020 0.000 1.385 418 F HN -0.205 nan 8.300 nan 0.000 0.489 419 A N 0.539 123.504 122.820 0.242 0.000 2.387 419 A HA 0.870 5.194 4.320 0.008 0.000 0.303 419 A C -1.717 175.990 177.584 0.205 0.000 1.145 419 A CA -0.944 51.179 52.037 0.143 0.000 0.801 419 A CB 1.726 20.783 19.000 0.094 0.000 1.342 419 A HN 0.800 nan 8.150 nan 0.000 0.440 420 V N 0.440 120.404 119.914 0.085 0.000 2.604 420 V HA 0.632 4.757 4.120 0.008 0.000 0.305 420 V C -0.768 175.241 176.094 -0.141 0.000 1.043 420 V CA -0.381 61.827 62.300 -0.154 0.000 0.888 420 V CB 1.670 33.198 31.823 -0.491 0.000 0.995 420 V HN 0.729 nan 8.190 nan 0.000 0.429 421 V N 2.894 122.705 119.914 -0.171 0.000 2.841 421 V HA 0.895 5.020 4.120 0.008 0.000 0.310 421 V C -0.114 175.978 176.094 -0.004 0.000 1.090 421 V CA -0.584 61.710 62.300 -0.009 0.000 0.930 421 V CB 2.090 33.922 31.823 0.015 0.000 1.014 421 V HN 1.020 nan 8.190 nan 0.000 0.425 422 A N 3.956 126.866 122.820 0.149 0.000 2.350 422 A HA 0.906 5.230 4.320 0.008 0.000 0.324 422 A C -0.436 177.268 177.584 0.200 0.000 1.118 422 A CA -0.666 51.474 52.037 0.172 0.000 0.783 422 A CB 1.080 20.249 19.000 0.280 0.000 1.236 422 A HN 1.038 nan 8.150 nan 0.000 0.457 423 N N -0.012 118.800 118.700 0.187 0.000 2.761 423 N HA 0.392 5.137 4.740 0.008 0.000 0.283 423 N C -0.725 174.927 175.510 0.236 0.000 1.377 423 N CA -0.474 52.715 53.050 0.232 0.000 0.791 423 N CB 1.118 39.675 38.487 0.117 0.000 1.540 423 N HN 0.396 nan 8.380 nan 0.000 0.539 424 D N -0.539 119.987 120.400 0.211 0.000 2.363 424 D HA -0.042 4.603 4.640 0.008 0.000 0.226 424 D C 0.781 177.002 176.300 -0.131 0.000 1.020 424 D CA 0.341 54.391 54.000 0.082 0.000 0.892 424 D CB -0.210 40.613 40.800 0.038 0.000 0.900 424 D HN 0.442 nan 8.370 nan 0.000 0.531 425 R N -0.419 120.033 120.500 -0.080 0.000 2.310 425 R HA 0.235 4.580 4.340 0.008 0.000 0.202 425 R C 0.168 176.410 176.300 -0.096 0.000 0.933 425 R CA -0.185 55.786 56.100 -0.213 0.000 1.054 425 R CB -0.359 29.877 30.300 -0.106 0.000 0.985 425 R HN 0.135 nan 8.270 nan 0.000 0.489 426 F N 0.254 120.182 119.950 -0.037 0.000 2.965 426 F HA -0.273 4.258 4.527 0.008 0.000 0.287 426 F C -0.290 175.494 175.800 -0.027 0.000 0.790 426 F CA 0.052 58.024 58.000 -0.047 0.000 1.279 426 F CB -1.491 37.467 39.000 -0.070 0.000 1.409 426 F HN 0.221 nan 8.300 nan 0.000 0.446 427 E N 1.205 121.491 120.200 0.143 0.000 2.202 427 E HA 0.588 4.943 4.350 0.008 0.000 0.272 427 E C -0.307 176.286 176.600 -0.012 0.000 0.951 427 E CA -0.920 55.509 56.400 0.049 0.000 0.813 427 E CB 2.723 32.425 29.700 0.004 0.000 1.151 427 E HN 0.108 nan 8.360 nan 0.000 0.398 428 I N 4.594 125.099 120.570 -0.108 0.000 2.433 428 I HA 0.432 4.607 4.170 0.008 0.000 0.292 428 I C -0.824 175.127 176.117 -0.276 0.000 1.001 428 I CA -0.694 60.459 61.300 -0.245 0.000 1.119 428 I CB 1.121 38.841 38.000 -0.467 0.000 1.289 428 I HN 0.745 nan 8.210 nan 0.000 0.438 429 M N 5.774 125.210 119.600 -0.273 0.000 2.721 429 M HA 0.559 5.044 4.480 0.008 0.000 0.271 429 M C -1.569 174.597 176.300 -0.224 0.000 1.259 429 M CA -0.608 54.546 55.300 -0.243 0.000 0.835 429 M CB 2.321 34.825 32.600 -0.161 0.000 1.689 429 M HN 0.477 nan 8.290 nan 0.000 0.470 430 T N -0.145 114.290 114.554 -0.198 0.000 2.829 430 T HA 0.746 5.101 4.350 0.008 0.000 0.280 430 T C -0.744 173.903 174.700 -0.087 0.000 0.999 430 T CA -0.714 61.308 62.100 -0.130 0.000 0.983 430 T CB 1.766 70.488 68.868 -0.243 0.000 0.968 430 T HN 0.561 nan 8.240 nan 0.000 0.446 431 V N 3.034 122.940 119.914 -0.013 0.000 2.378 431 V HA 0.306 4.431 4.120 0.008 0.000 0.288 431 V C 0.188 176.263 176.094 -0.032 0.000 1.016 431 V CA -0.969 61.295 62.300 -0.060 0.000 0.840 431 V CB 1.478 33.261 31.823 -0.066 0.000 0.994 431 V HN 1.065 nan 8.190 nan 0.000 0.431 432 D N 4.662 125.006 120.400 -0.092 0.000 2.368 432 D HA 0.039 4.684 4.640 0.008 0.000 0.268 432 D C 1.082 177.306 176.300 -0.127 0.000 1.298 432 D CA -0.003 53.963 54.000 -0.057 0.000 0.938 432 D CB 0.985 41.733 40.800 -0.087 0.000 1.101 432 D HN 0.532 nan 8.370 nan 0.000 0.509 433 L N 3.280 124.505 121.223 0.003 0.000 2.447 433 L HA -0.131 4.214 4.340 0.008 0.000 0.225 433 L C 2.302 179.267 176.870 0.158 0.000 1.148 433 L CA 0.704 55.588 54.840 0.074 0.000 0.808 433 L CB -0.257 41.873 42.059 0.118 0.000 0.928 433 L HN 0.543 nan 8.230 nan 0.000 0.448 434 E N -0.072 120.164 120.200 0.060 0.000 2.042 434 E HA -0.168 4.186 4.350 0.008 0.000 0.189 434 E C 2.101 178.761 176.600 0.100 0.000 0.974 434 E CA 1.693 58.149 56.400 0.094 0.000 0.806 434 E CB 0.192 29.921 29.700 0.048 0.000 0.769 434 E HN 0.486 nan 8.360 nan 0.000 0.451 435 T N -3.810 110.712 114.554 -0.052 0.000 2.980 435 T HA 0.319 4.674 4.350 0.008 0.000 0.239 435 T C 1.523 175.982 174.700 -0.402 0.000 1.011 435 T CA 1.018 63.070 62.100 -0.081 0.000 1.171 435 T CB 0.694 69.515 68.868 -0.078 0.000 0.873 435 T HN 0.336 nan 8.240 nan 0.000 0.431 436 G N 0.951 109.315 108.800 -0.726 0.000 2.318 436 G HA2 -0.128 3.837 3.960 0.008 0.000 0.172 436 G HA3 -0.128 3.837 3.960 0.008 0.000 0.172 436 G C -0.002 174.617 174.900 -0.468 0.000 1.002 436 G CA -0.028 44.369 45.100 -1.172 0.000 0.697 436 G HN 0.736 nan 8.290 nan 0.000 0.483 437 K N 2.649 122.883 120.400 -0.277 0.000 2.430 437 K HA 0.269 4.594 4.320 0.008 0.000 0.280 437 K C -1.972 174.542 176.600 -0.143 0.000 1.063 437 K CA -0.771 55.423 56.287 -0.155 0.000 1.071 437 K CB 0.651 33.087 32.500 -0.106 0.000 0.899 437 K HN 0.199 nan 8.250 nan 0.000 0.473 438 P HA 0.149 nan 4.420 nan 0.000 0.281 438 P C -1.122 176.119 177.300 -0.098 0.000 1.249 438 P CA -0.455 62.584 63.100 -0.102 0.000 0.810 438 P CB 1.360 33.013 31.700 -0.078 0.000 1.008 439 T N 1.132 115.617 114.554 -0.116 0.000 3.066 439 T HA 0.196 4.551 4.350 0.008 0.000 0.318 439 T C -0.199 174.402 174.700 -0.165 0.000 0.979 439 T CA -0.383 61.641 62.100 -0.127 0.000 1.025 439 T CB 0.581 69.371 68.868 -0.129 0.000 1.002 439 T HN 0.074 nan 8.240 nan 0.000 0.453 440 V N 5.051 124.878 119.914 -0.143 0.000 2.540 440 V HA 0.078 4.203 4.120 0.008 0.000 0.297 440 V C 1.102 177.061 176.094 -0.225 0.000 1.024 440 V CA 0.231 62.435 62.300 -0.160 0.000 1.105 440 V CB 0.167 31.927 31.823 -0.105 0.000 0.938 440 V HN 0.766 nan 8.190 nan 0.000 0.482 441 I N 2.913 123.298 120.570 -0.309 0.000 2.385 441 I HA 0.180 4.355 4.170 0.008 0.000 0.244 441 I C 1.023 176.987 176.117 -0.255 0.000 1.089 441 I CA 1.076 62.110 61.300 -0.444 0.000 1.410 441 I CB 0.126 37.752 38.000 -0.624 0.000 1.117 441 I HN 0.807 nan 8.210 nan 0.000 0.429 442 E N -0.453 119.642 120.200 -0.174 0.000 2.407 442 E HA 0.462 4.817 4.350 0.008 0.000 0.279 442 E C -0.985 175.661 176.600 0.076 0.000 1.012 442 E CA -0.822 55.565 56.400 -0.022 0.000 0.800 442 E CB 1.865 31.592 29.700 0.045 0.000 1.276 442 E HN -0.027 nan 8.360 nan 0.000 0.452 443 R N 1.702 122.319 120.500 0.195 0.000 2.575 443 R HA 0.420 4.765 4.340 0.008 0.000 0.293 443 R C -1.353 175.168 176.300 0.368 0.000 0.983 443 R CA -0.428 55.806 56.100 0.224 0.000 0.887 443 R CB 2.004 32.379 30.300 0.124 0.000 1.184 443 R HN 0.427 nan 8.270 nan 0.000 0.445 444 S N 1.935 117.768 115.700 0.223 0.000 2.646 444 S HA 0.300 4.775 4.470 0.008 0.000 0.276 444 S C 0.549 175.211 174.600 0.103 0.000 1.222 444 S CA -0.787 57.343 58.200 -0.116 0.000 1.014 444 S CB 0.878 63.704 63.200 -0.624 0.000 0.991 444 S HN 0.786 nan 8.310 nan 0.000 0.533 445 R N 1.397 121.926 120.500 0.047 0.000 2.509 445 R HA 0.398 4.743 4.340 0.008 0.000 0.300 445 R C -0.048 176.361 176.300 0.182 0.000 0.985 445 R CA -0.329 55.898 56.100 0.212 0.000 1.092 445 R CB 0.118 30.491 30.300 0.122 0.000 1.237 445 R HN 0.448 nan 8.270 nan 0.000 0.546 446 E N 0.878 120.992 120.200 -0.143 0.000 2.288 446 E HA 0.328 4.683 4.350 0.008 0.000 0.200 446 E C 0.357 176.507 176.600 -0.750 0.000 0.880 446 E CA 0.747 56.985 56.400 -0.270 0.000 0.971 446 E CB 1.026 30.567 29.700 -0.265 0.000 0.954 446 E HN 0.331 nan 8.360 nan 0.000 0.489 447 A N 0.383 122.417 122.820 -1.310 0.000 2.581 447 A HA 0.635 4.960 4.320 0.008 0.000 0.290 447 A C -0.854 175.961 177.584 -1.283 0.000 1.119 447 A CA -0.709 50.454 52.037 -1.458 0.000 0.670 447 A CB 0.702 19.326 19.000 -0.628 0.000 1.280 447 A HN 0.013 nan 8.150 nan 0.000 0.425 448 M N 0.651 119.858 119.600 -0.654 0.000 2.248 448 M HA 0.250 4.734 4.480 0.008 0.000 0.337 448 M C -0.403 175.827 176.300 -0.116 0.000 1.121 448 M CA 0.647 55.831 55.300 -0.195 0.000 1.155 448 M CB 0.169 32.743 32.600 -0.042 0.000 1.514 448 M HN 0.471 nan 8.290 nan 0.000 0.452 449 I N 2.657 123.233 120.570 0.010 0.000 2.261 449 I HA 0.048 4.223 4.170 0.008 0.000 0.285 449 I C 1.177 177.429 176.117 0.224 0.000 1.113 449 I CA -0.116 61.241 61.300 0.095 0.000 1.377 449 I CB -0.295 37.753 38.000 0.079 0.000 1.530 449 I HN 0.795 nan 8.210 nan 0.000 0.607 450 T N -2.447 112.200 114.554 0.155 0.000 3.081 450 T HA 0.032 4.386 4.350 0.008 0.000 0.250 450 T C 0.681 175.351 174.700 -0.049 0.000 1.100 450 T CA -0.062 62.109 62.100 0.118 0.000 1.038 450 T CB 0.017 68.918 68.868 0.056 0.000 0.962 450 T HN 0.219 nan 8.240 nan 0.000 0.516 451 D N 1.631 122.078 120.400 0.077 0.000 2.479 451 D HA 0.410 5.054 4.640 0.008 0.000 0.218 451 D C -0.720 175.697 176.300 0.194 0.000 1.131 451 D CA -0.947 53.075 54.000 0.036 0.000 0.916 451 D CB -0.267 40.602 40.800 0.115 0.000 1.022 451 D HN 0.527 nan 8.370 nan 0.000 0.515 452 F N -0.217 119.827 119.950 0.157 0.000 2.643 452 F HA 0.715 5.246 4.527 0.008 0.000 0.314 452 F C -0.659 175.256 175.800 0.192 0.000 1.096 452 F CA -0.987 57.143 58.000 0.216 0.000 0.953 452 F CB 1.920 41.064 39.000 0.240 0.000 1.345 452 F HN -0.040 nan 8.300 nan 0.000 0.468 453 T N 1.440 116.356 114.554 0.603 0.000 2.868 453 T HA 0.695 5.050 4.350 0.008 0.000 0.306 453 T C -1.599 173.457 174.700 0.594 0.000 1.224 453 T CA -0.635 61.766 62.100 0.502 0.000 1.012 453 T CB 1.576 70.633 68.868 0.315 0.000 1.221 453 T HN 0.669 nan 8.240 nan 0.000 0.499 454 I N 3.172 124.044 120.570 0.503 0.000 2.433 454 I HA 0.401 4.576 4.170 0.008 0.000 0.292 454 I C 0.752 177.065 176.117 0.327 0.000 1.001 454 I CA -0.953 60.599 61.300 0.420 0.000 1.119 454 I CB 2.192 40.365 38.000 0.288 0.000 1.289 454 I HN 0.717 nan 8.210 nan 0.000 0.438 455 S N 2.378 118.102 115.700 0.040 0.000 2.584 455 S HA 0.095 4.570 4.470 0.008 0.000 0.270 455 S C 0.486 175.077 174.600 -0.015 0.000 1.346 455 S CA -0.545 57.521 58.200 -0.223 0.000 1.018 455 S CB 1.045 63.792 63.200 -0.756 0.000 0.899 455 S HN 0.580 nan 8.310 nan 0.000 0.542 456 D N 1.450 121.867 120.400 0.029 0.000 2.218 456 D HA -0.110 4.535 4.640 0.008 0.000 0.204 456 D C 1.384 177.690 176.300 0.009 0.000 0.976 456 D CA 1.498 55.521 54.000 0.037 0.000 0.853 456 D CB -0.489 40.348 40.800 0.062 0.000 0.939 456 D HN 0.828 nan 8.370 nan 0.000 0.481 457 N N -0.709 117.987 118.700 -0.007 0.000 2.383 457 N HA -0.005 4.740 4.740 0.008 0.000 0.192 457 N C -0.033 175.455 175.510 -0.038 0.000 1.141 457 N CA 0.204 53.245 53.050 -0.015 0.000 0.851 457 N CB 0.240 38.728 38.487 0.001 0.000 0.976 457 N HN -0.229 nan 8.380 nan 0.000 0.465 458 S N -1.247 114.441 115.700 -0.021 0.000 3.380 458 S HA -0.270 4.205 4.470 0.008 0.000 0.300 458 S C 1.053 175.678 174.600 0.042 0.000 1.255 458 S CA 1.167 59.416 58.200 0.082 0.000 0.963 458 S CB -1.406 61.864 63.200 0.117 0.000 1.106 458 S HN 0.767 nan 8.310 nan 0.000 0.629 459 R N -0.080 120.276 120.500 -0.241 0.000 2.112 459 R HA 0.282 4.627 4.340 0.008 0.000 0.216 459 R C 0.077 175.935 176.300 -0.737 0.000 1.080 459 R CA 1.004 56.739 56.100 -0.608 0.000 0.996 459 R CB 0.254 29.929 30.300 -1.043 0.000 0.902 459 R HN 0.385 nan 8.270 nan 0.000 0.449 460 F N -0.034 119.802 119.950 -0.190 0.000 2.538 460 F HA 0.508 5.040 4.527 0.008 0.000 0.325 460 F C -0.332 175.540 175.800 0.119 0.000 1.066 460 F CA -1.192 56.739 58.000 -0.115 0.000 0.946 460 F CB 1.777 40.629 39.000 -0.247 0.000 1.199 460 F HN -0.236 nan 8.300 nan 0.000 0.473 461 I N 2.007 122.894 120.570 0.528 0.000 2.439 461 I HA 0.541 4.716 4.170 0.008 0.000 0.285 461 I C -0.772 175.729 176.117 0.640 0.000 1.021 461 I CA -0.647 61.008 61.300 0.592 0.000 1.091 461 I CB 1.688 39.991 38.000 0.504 0.000 1.242 461 I HN 0.700 nan 8.210 nan 0.000 0.439 462 A N 6.913 130.104 122.820 0.619 0.000 2.304 462 A HA 0.863 5.188 4.320 0.008 0.000 0.323 462 A C -1.210 176.593 177.584 0.365 0.000 1.195 462 A CA -0.284 51.932 52.037 0.297 0.000 0.826 462 A CB 0.569 19.567 19.000 -0.002 0.000 1.184 462 A HN 0.695 nan 8.150 nan 0.000 0.496 463 Y N -0.541 119.890 120.300 0.218 0.000 2.609 463 Y HA 0.708 5.262 4.550 0.008 0.000 0.336 463 Y C 0.187 176.177 175.900 0.149 0.000 1.129 463 Y CA -1.027 57.213 58.100 0.232 0.000 1.040 463 Y CB 0.704 39.340 38.460 0.294 0.000 1.310 463 Y HN 0.812 nan 8.280 nan 0.000 0.460 464 G N 1.457 110.436 108.800 0.298 0.000 2.370 464 G HA2 0.387 4.352 3.960 0.008 0.000 0.272 464 G HA3 0.387 4.352 3.960 0.008 0.000 0.272 464 G C -1.886 173.162 174.900 0.246 0.000 1.208 464 G CA -0.368 44.836 45.100 0.173 0.000 0.856 464 G HN 0.698 nan 8.290 nan 0.000 0.500 465 F N 5.993 125.895 119.950 -0.081 0.000 2.366 465 F HA 0.442 4.974 4.527 0.008 0.000 0.366 465 F C -1.987 173.746 175.800 -0.113 0.000 1.096 465 F CA -2.848 55.070 58.000 -0.137 0.000 1.060 465 F CB 2.136 40.778 39.000 -0.597 0.000 1.282 465 F HN 0.266 nan 8.300 nan 0.000 0.450 466 P HA 0.227 nan 4.420 nan 0.000 0.268 466 P C -1.312 175.666 177.300 -0.536 0.000 1.205 466 P CA 0.142 62.994 63.100 -0.413 0.000 0.771 466 P CB 1.481 32.947 31.700 -0.391 0.000 0.858 467 L N -0.300 120.788 121.223 -0.225 0.000 2.600 467 L HA 0.743 5.088 4.340 0.008 0.000 0.257 467 L C -1.029 175.843 176.870 0.003 0.000 1.048 467 L CA -0.906 53.879 54.840 -0.092 0.000 0.869 467 L CB 1.984 44.099 42.059 0.094 0.000 1.482 467 L HN 0.112 nan 8.230 nan 0.000 0.408 468 K N -0.660 119.777 120.400 0.061 0.000 2.435 468 K HA 0.481 4.806 4.320 0.008 0.000 0.251 468 K C -0.159 176.568 176.600 0.211 0.000 0.954 468 K CA -0.733 55.607 56.287 0.088 0.000 0.820 468 K CB 2.058 34.577 32.500 0.031 0.000 1.292 468 K HN 0.773 nan 8.250 nan 0.000 0.436 469 H N -0.019 119.062 119.070 0.019 0.000 2.415 469 H HA 0.055 4.616 4.556 0.008 0.000 0.297 469 H C 0.789 176.127 175.328 0.016 0.000 1.048 469 H CA 0.146 56.206 56.048 0.021 0.000 1.365 469 H CB 0.723 30.497 29.762 0.021 0.000 1.421 469 H HN 0.605 nan 8.280 nan 0.000 0.533 470 G N -0.242 108.644 108.800 0.144 0.000 2.498 470 G HA2 0.155 4.120 3.960 0.008 0.000 0.312 470 G HA3 0.155 4.120 3.960 0.008 0.000 0.312 470 G C 0.216 175.140 174.900 0.040 0.000 1.230 470 G CA -0.432 44.712 45.100 0.073 0.000 0.968 470 G HN 0.246 nan 8.290 nan 0.000 0.481 471 E N -0.583 119.629 120.200 0.019 0.000 2.153 471 E HA -0.152 4.203 4.350 0.008 0.000 0.194 471 E C 1.848 178.437 176.600 -0.017 0.000 0.988 471 E CA 1.848 58.248 56.400 0.001 0.000 0.811 471 E CB 0.074 29.768 29.700 -0.010 0.000 0.746 471 E HN 0.454 nan 8.360 nan 0.000 0.466 472 T N -1.317 113.226 114.554 -0.019 0.000 3.223 472 T HA 0.101 4.456 4.350 0.008 0.000 0.259 472 T C 0.182 174.865 174.700 -0.028 0.000 1.015 472 T CA -0.498 61.580 62.100 -0.036 0.000 0.908 472 T CB 0.115 68.959 68.868 -0.041 0.000 1.054 472 T HN -0.031 nan 8.240 nan 0.000 0.567 473 D N 1.312 121.703 120.400 -0.014 0.000 2.424 473 D HA 0.189 4.833 4.640 0.008 0.000 0.244 473 D C 1.400 177.668 176.300 -0.052 0.000 1.134 473 D CA 0.281 54.277 54.000 -0.007 0.000 0.881 473 D CB 1.371 42.178 40.800 0.012 0.000 1.191 473 D HN 0.333 nan 8.370 nan 0.000 0.445 474 G N 2.799 111.560 108.800 -0.065 0.000 2.650 474 G HA2 -0.108 3.857 3.960 0.008 0.000 0.214 474 G HA3 -0.108 3.857 3.960 0.008 0.000 0.214 474 G C 0.046 174.649 174.900 -0.494 0.000 1.136 474 G CA 0.496 45.447 45.100 -0.249 0.000 0.789 474 G HN 0.457 nan 8.290 nan 0.000 0.536 475 Y N -1.302 118.945 120.300 -0.088 0.000 2.462 475 Y HA 0.544 5.099 4.550 0.008 0.000 0.346 475 Y C -0.395 175.428 175.900 -0.128 0.000 0.976 475 Y CA -0.999 57.033 58.100 -0.114 0.000 1.044 475 Y CB 2.507 40.897 38.460 -0.118 0.000 1.230 475 Y HN -0.196 nan 8.280 nan 0.000 0.455 476 V N 4.981 124.890 119.914 -0.008 0.000 2.398 476 V HA 0.355 4.479 4.120 0.008 0.000 0.286 476 V C -0.032 176.033 176.094 -0.049 0.000 1.026 476 V CA -0.733 61.529 62.300 -0.063 0.000 0.868 476 V CB 1.128 32.874 31.823 -0.129 0.000 0.982 476 V HN 0.715 nan 8.190 nan 0.000 0.443 477 M N 3.570 123.152 119.600 -0.029 0.000 2.513 477 M HA 0.553 5.038 4.480 0.008 0.000 0.291 477 M C -0.354 175.971 176.300 0.043 0.000 1.190 477 M CA -0.387 54.921 55.300 0.014 0.000 0.960 477 M CB 1.116 33.734 32.600 0.030 0.000 1.517 477 M HN 0.734 nan 8.290 nan 0.000 0.499 478 Q N 0.312 120.188 119.800 0.126 0.000 2.280 478 Q HA 0.660 5.005 4.340 0.008 0.000 0.259 478 Q C -2.157 173.906 176.000 0.106 0.000 0.964 478 Q CA -0.400 55.483 55.803 0.135 0.000 0.844 478 Q CB 2.012 30.924 28.738 0.289 0.000 1.334 478 Q HN 0.850 nan 8.270 nan 0.000 0.423 479 A N 4.453 127.313 122.820 0.066 0.000 2.356 479 A HA 0.720 5.045 4.320 0.008 0.000 0.323 479 A C -0.707 176.853 177.584 -0.039 0.000 1.119 479 A CA -0.712 51.338 52.037 0.021 0.000 0.790 479 A CB 0.994 20.045 19.000 0.085 0.000 1.273 479 A HN 0.722 nan 8.150 nan 0.000 0.452 480 I N 2.214 122.712 120.570 -0.121 0.000 2.395 480 I HA 0.260 4.435 4.170 0.008 0.000 0.289 480 I C -0.316 175.771 176.117 -0.049 0.000 1.023 480 I CA 0.035 61.227 61.300 -0.180 0.000 1.350 480 I CB 0.517 38.286 38.000 -0.384 0.000 1.409 480 I HN 0.580 nan 8.210 nan 0.000 0.507 481 H N 4.229 123.015 119.070 -0.473 0.000 2.569 481 H HA 0.619 5.180 4.556 0.008 0.000 0.357 481 H C -0.689 174.319 175.328 -0.534 0.000 1.153 481 H CA -0.727 54.985 56.048 -0.560 0.000 1.193 481 H CB 2.175 31.445 29.762 -0.819 0.000 1.602 481 H HN 0.185 nan 8.280 nan 0.000 0.523 482 V N 3.286 123.154 119.914 -0.077 0.000 2.487 482 V HA 0.153 4.278 4.120 0.008 0.000 0.298 482 V C -1.102 175.193 176.094 0.334 0.000 1.028 482 V CA -0.906 61.474 62.300 0.133 0.000 0.860 482 V CB 1.483 33.376 31.823 0.118 0.000 0.991 482 V HN 0.640 nan 8.190 nan 0.000 0.427 483 Y N 3.547 124.037 120.300 0.318 0.000 2.331 483 Y HA 0.530 5.085 4.550 0.008 0.000 0.338 483 Y C -0.154 175.928 175.900 0.303 0.000 0.992 483 Y CA -1.073 57.204 58.100 0.295 0.000 1.121 483 Y CB 1.410 40.032 38.460 0.269 0.000 1.184 483 Y HN 0.692 nan 8.280 nan 0.000 0.469 484 D N 7.028 127.242 120.400 -0.309 0.000 2.359 484 D HA 0.109 4.754 4.640 0.008 0.000 0.230 484 D C 0.958 176.782 176.300 -0.794 0.000 1.118 484 D CA -0.173 53.643 54.000 -0.306 0.000 0.844 484 D CB 0.971 41.789 40.800 0.031 0.000 1.059 484 D HN 0.702 nan 8.370 nan 0.000 0.493 485 M N 1.874 121.081 119.600 -0.656 0.000 2.195 485 M HA -0.142 4.342 4.480 0.008 0.000 0.260 485 M C 0.336 176.433 176.300 -0.338 0.000 1.066 485 M CA 1.329 56.331 55.300 -0.497 0.000 1.089 485 M CB -0.525 31.883 32.600 -0.321 0.000 1.377 485 M HN 0.363 nan 8.290 nan 0.000 0.411 486 E N -0.233 119.787 120.200 -0.301 0.000 2.167 486 E HA 0.413 4.768 4.350 0.008 0.000 0.284 486 E C 0.940 177.464 176.600 -0.127 0.000 1.016 486 E CA 0.212 56.507 56.400 -0.175 0.000 0.817 486 E CB 0.785 30.398 29.700 -0.146 0.000 1.080 486 E HN 0.454 nan 8.360 nan 0.000 0.397 487 G N 3.727 112.480 108.800 -0.079 0.000 2.258 487 G HA2 -0.401 3.564 3.960 0.008 0.000 0.233 487 G HA3 -0.401 3.564 3.960 0.008 0.000 0.233 487 G C 0.496 175.370 174.900 -0.043 0.000 1.006 487 G CA -0.061 45.022 45.100 -0.028 0.000 0.620 487 G HN 0.608 nan 8.290 nan 0.000 0.511 488 R N 0.008 120.425 120.500 -0.137 0.000 3.225 488 R HA -0.207 4.138 4.340 0.008 0.000 0.245 488 R C 0.369 176.707 176.300 0.062 0.000 0.928 488 R CA 1.750 57.799 56.100 -0.086 0.000 0.632 488 R CB -1.615 28.746 30.300 0.101 0.000 1.038 488 R HN 0.880 nan 8.270 nan 0.000 0.461 489 K N -0.083 120.289 120.400 -0.048 0.000 2.385 489 K HA 0.624 4.949 4.320 0.008 0.000 0.248 489 K C -0.360 176.183 176.600 -0.094 0.000 0.955 489 K CA -1.001 55.236 56.287 -0.083 0.000 0.816 489 K CB 2.096 34.452 32.500 -0.240 0.000 1.250 489 K HN -0.017 nan 8.250 nan 0.000 0.434 490 I N 2.418 122.864 120.570 -0.207 0.000 2.359 490 I HA 0.343 4.518 4.170 0.008 0.000 0.294 490 I C -0.866 174.940 176.117 -0.520 0.000 0.987 490 I CA -0.814 60.408 61.300 -0.130 0.000 1.225 490 I CB 0.592 38.557 38.000 -0.058 0.000 1.366 490 I HN 0.452 nan 8.210 nan 0.000 0.466 491 F N 3.612 123.494 119.950 -0.113 0.000 2.556 491 F HA 0.643 5.175 4.527 0.008 0.000 0.327 491 F C 0.426 176.062 175.800 -0.273 0.000 1.059 491 F CA -0.908 56.999 58.000 -0.155 0.000 0.953 491 F CB 1.554 40.505 39.000 -0.081 0.000 1.227 491 F HN 0.358 nan 8.300 nan 0.000 0.478 492 A N 0.970 123.756 122.820 -0.056 0.000 2.316 492 A HA 0.610 4.935 4.320 0.008 0.000 0.311 492 A C 0.773 178.364 177.584 0.012 0.000 1.339 492 A CA 0.069 52.003 52.037 -0.172 0.000 0.960 492 A CB 0.030 18.867 19.000 -0.271 0.000 1.152 492 A HN 0.963 nan 8.150 nan 0.000 0.547 493 A N 2.316 125.106 122.820 -0.050 0.000 2.014 493 A HA 0.271 4.596 4.320 0.008 0.000 0.218 493 A C 1.305 178.841 177.584 -0.080 0.000 1.163 493 A CA 1.914 53.905 52.037 -0.076 0.000 0.652 493 A CB -0.070 18.805 19.000 -0.208 0.000 0.808 493 A HN 0.877 nan 8.150 nan 0.000 0.449 494 T N -1.801 112.677 114.554 -0.126 0.000 2.843 494 T HA 0.482 4.837 4.350 0.008 0.000 0.302 494 T C -0.074 174.521 174.700 -0.175 0.000 1.232 494 T CA 0.103 62.120 62.100 -0.139 0.000 1.009 494 T CB 1.218 69.894 68.868 -0.320 0.000 1.254 494 T HN 0.461 nan 8.240 nan 0.000 0.504 495 T N 0.434 114.898 114.554 -0.151 0.000 2.813 495 T HA 0.338 4.693 4.350 0.008 0.000 0.297 495 T C 0.587 175.246 174.700 -0.068 0.000 1.036 495 T CA -0.388 61.608 62.100 -0.173 0.000 1.044 495 T CB 0.401 69.213 68.868 -0.093 0.000 0.993 495 T HN 0.734 nan 8.240 nan 0.000 0.535 496 E N 0.043 120.230 120.200 -0.022 0.000 2.405 496 E HA 0.223 4.578 4.350 0.008 0.000 0.214 496 E C 0.150 176.860 176.600 0.184 0.000 1.101 496 E CA -0.381 56.071 56.400 0.087 0.000 1.254 496 E CB -0.643 29.125 29.700 0.114 0.000 1.240 496 E HN 0.714 nan 8.360 nan 0.000 0.439 497 N N 0.597 119.358 118.700 0.102 0.000 2.236 497 N HA -0.005 4.739 4.740 0.008 0.000 0.196 497 N C 0.176 175.699 175.510 0.021 0.000 1.114 497 N CA 0.263 53.365 53.050 0.087 0.000 0.859 497 N CB 0.658 39.181 38.487 0.060 0.000 0.982 497 N HN 0.286 nan 8.380 nan 0.000 0.493 498 S N -1.186 114.541 115.700 0.045 0.000 3.497 498 S HA 0.122 4.596 4.470 0.008 0.000 0.319 498 S C -1.562 173.138 174.600 0.166 0.000 1.195 498 S CA -0.846 57.393 58.200 0.065 0.000 1.118 498 S CB 1.085 64.319 63.200 0.056 0.000 1.495 498 S HN 0.113 nan 8.310 nan 0.000 0.655 499 H N 1.394 120.527 119.070 0.105 0.000 2.685 499 H HA 0.481 5.042 4.556 0.008 0.000 0.307 499 H C -1.524 173.974 175.328 0.283 0.000 1.017 499 H CA -0.547 55.605 56.048 0.174 0.000 1.237 499 H CB 0.397 30.291 29.762 0.220 0.000 1.409 499 H HN 0.513 nan 8.280 nan 0.000 0.488 500 D N 5.619 126.061 120.400 0.070 0.000 2.256 500 D HA 0.206 4.851 4.640 0.008 0.000 0.246 500 D C -0.470 175.881 176.300 0.084 0.000 1.042 500 D CA -0.107 53.933 54.000 0.068 0.000 0.841 500 D CB 2.178 42.940 40.800 -0.064 0.000 1.223 500 D HN 0.594 nan 8.370 nan 0.000 0.470 501 Y N -2.357 117.867 120.300 -0.127 0.000 2.853 501 Y HA 0.533 5.088 4.550 0.008 0.000 0.326 501 Y C -0.072 175.836 175.900 0.013 0.000 1.384 501 Y CA -1.376 56.665 58.100 -0.099 0.000 1.077 501 Y CB 0.570 38.900 38.460 -0.217 0.000 1.395 501 Y HN 0.406 nan 8.280 nan 0.000 0.451 502 A N -0.185 122.679 122.820 0.074 0.000 2.745 502 A HA -0.136 4.189 4.320 0.008 0.000 0.296 502 A C -2.471 175.106 177.584 -0.012 0.000 1.500 502 A CA 0.347 52.387 52.037 0.005 0.000 0.766 502 A CB -2.664 16.291 19.000 -0.074 0.000 1.030 502 A HN 0.609 nan 8.150 nan 0.000 0.489 503 P HA 0.393 nan 4.420 nan 0.000 0.267 503 P C -0.140 177.141 177.300 -0.033 0.000 1.200 503 P CA 1.045 64.136 63.100 -0.015 0.000 0.772 503 P CB 0.973 32.631 31.700 -0.071 0.000 0.855 504 A N 2.659 125.433 122.820 -0.076 0.000 2.513 504 A HA 0.617 4.942 4.320 0.008 0.000 0.296 504 A C -1.143 176.437 177.584 -0.007 0.000 1.052 504 A CA -0.570 51.460 52.037 -0.012 0.000 0.714 504 A CB 0.639 19.657 19.000 0.030 0.000 1.279 504 A HN 0.312 nan 8.150 nan 0.000 0.397 505 F N 1.630 121.692 119.950 0.187 0.000 2.377 505 F HA 0.435 4.966 4.527 0.008 0.000 0.328 505 F C 0.795 176.708 175.800 0.188 0.000 1.094 505 F CA -0.082 58.043 58.000 0.209 0.000 1.093 505 F CB 1.322 40.430 39.000 0.182 0.000 1.214 505 F HN 0.708 nan 8.300 nan 0.000 0.518 506 D N 1.125 121.790 120.400 0.442 0.000 2.329 506 D HA 0.289 4.934 4.640 0.008 0.000 0.246 506 D C 0.839 177.276 176.300 0.229 0.000 1.111 506 D CA -0.398 53.762 54.000 0.267 0.000 0.941 506 D CB 0.875 41.853 40.800 0.297 0.000 1.169 506 D HN 0.566 nan 8.370 nan 0.000 0.441 507 A N 1.357 124.265 122.820 0.147 0.000 1.927 507 A HA -0.271 4.054 4.320 0.008 0.000 0.220 507 A C 1.527 179.186 177.584 0.124 0.000 1.185 507 A CA 1.905 54.014 52.037 0.120 0.000 0.639 507 A CB -0.708 18.341 19.000 0.082 0.000 0.820 507 A HN 0.610 nan 8.150 nan 0.000 0.451 508 D N -0.514 119.965 120.400 0.132 0.000 2.371 508 D HA 0.091 4.736 4.640 0.008 0.000 0.221 508 D C 0.572 176.971 176.300 0.165 0.000 0.986 508 D CA 1.058 55.133 54.000 0.125 0.000 0.899 508 D CB -0.127 40.739 40.800 0.111 0.000 0.902 508 D HN 0.307 nan 8.370 nan 0.000 0.530 509 S N -0.986 114.837 115.700 0.205 0.000 3.698 509 S HA -0.217 4.258 4.470 0.008 0.000 0.338 509 S C 1.170 175.958 174.600 0.314 0.000 1.089 509 S CA 0.609 58.947 58.200 0.230 0.000 0.991 509 S CB -1.182 62.132 63.200 0.189 0.000 0.909 509 S HN 0.447 nan 8.310 nan 0.000 0.485 510 K N -0.300 120.266 120.400 0.276 0.000 2.370 510 K HA 0.167 4.492 4.320 0.008 0.000 0.194 510 K C 0.065 176.784 176.600 0.198 0.000 1.070 510 K CA 0.357 56.793 56.287 0.249 0.000 0.998 510 K CB 0.248 32.841 32.500 0.154 0.000 0.911 510 K HN 0.473 nan 8.250 nan 0.000 0.533 511 N N 0.592 119.425 118.700 0.222 0.000 2.225 511 N HA 0.267 5.012 4.740 0.008 0.000 0.298 511 N C -1.935 173.660 175.510 0.142 0.000 1.076 511 N CA -0.678 52.431 53.050 0.098 0.000 0.792 511 N CB 2.158 40.633 38.487 -0.020 0.000 1.498 511 N HN -0.134 nan 8.380 nan 0.000 0.474 512 L N 2.550 123.748 121.223 -0.043 0.000 2.265 512 L HA 0.521 4.866 4.340 0.008 0.000 0.289 512 L C -1.627 175.152 176.870 -0.152 0.000 1.033 512 L CA -0.444 54.310 54.840 -0.143 0.000 0.814 512 L CB -0.242 41.676 42.059 -0.235 0.000 1.203 512 L HN 0.487 nan 8.230 nan 0.000 0.423 513 Y N 5.413 125.675 120.300 -0.063 0.000 2.419 513 Y HA 0.663 5.218 4.550 0.008 0.000 0.328 513 Y C -0.248 175.657 175.900 0.009 0.000 1.162 513 Y CA -0.121 57.950 58.100 -0.049 0.000 1.174 513 Y CB 1.426 39.834 38.460 -0.088 0.000 1.228 513 Y HN 0.649 nan 8.280 nan 0.000 0.473 514 Y N -1.499 118.799 120.300 -0.004 0.000 2.818 514 Y HA 0.754 5.309 4.550 0.008 0.000 0.341 514 Y C -2.332 173.468 175.900 -0.167 0.000 1.283 514 Y CA -1.844 56.180 58.100 -0.126 0.000 1.075 514 Y CB 0.871 39.231 38.460 -0.166 0.000 1.370 514 Y HN 0.396 nan 8.280 nan 0.000 0.448 515 L N 1.430 122.457 121.223 -0.327 0.000 2.301 515 L HA 0.889 5.234 4.340 0.008 0.000 0.264 515 L C -0.745 175.872 176.870 -0.422 0.000 1.016 515 L CA -0.967 53.546 54.840 -0.545 0.000 0.821 515 L CB 2.360 43.856 42.059 -0.937 0.000 1.346 515 L HN 0.853 nan 8.230 nan 0.000 0.429 516 S N -0.945 114.669 115.700 -0.142 0.000 2.570 516 S HA 0.439 4.914 4.470 0.008 0.000 0.270 516 S C -1.171 173.462 174.600 0.055 0.000 1.149 516 S CA -0.543 57.700 58.200 0.072 0.000 0.837 516 S CB 1.499 64.736 63.200 0.062 0.000 1.124 516 S HN 0.367 nan 8.310 nan 0.000 0.465 517 Y N 1.089 121.564 120.300 0.291 0.000 2.833 517 Y HA 0.320 4.875 4.550 0.008 0.000 0.339 517 Y C 1.509 177.464 175.900 0.092 0.000 1.032 517 Y CA -0.510 57.708 58.100 0.196 0.000 1.450 517 Y CB -0.166 38.400 38.460 0.176 0.000 1.296 517 Y HN 0.531 nan 8.280 nan 0.000 0.535 518 R N -1.412 119.213 120.500 0.208 0.000 2.290 518 R HA 0.134 4.478 4.340 0.008 0.000 0.197 518 R C 0.728 177.095 176.300 0.112 0.000 0.913 518 R CA 0.184 56.355 56.100 0.119 0.000 1.040 518 R CB 0.322 30.668 30.300 0.077 0.000 0.992 518 R HN -0.006 nan 8.270 nan 0.000 0.500 519 S N 2.175 117.970 115.700 0.157 0.000 4.069 519 S HA 0.178 4.653 4.470 0.008 0.000 0.192 519 S C 0.236 174.891 174.600 0.091 0.000 1.441 519 S CA -0.112 58.164 58.200 0.126 0.000 0.994 519 S CB -0.301 62.976 63.200 0.128 0.000 1.456 519 S HN 0.207 nan 8.310 nan 0.000 0.458 520 L N 2.666 123.899 121.223 0.016 0.000 2.559 520 L HA 0.155 4.500 4.340 0.008 0.000 0.274 520 L C 0.259 177.226 176.870 0.162 0.000 1.205 520 L CA 0.323 55.151 54.840 -0.021 0.000 0.907 520 L CB 0.015 41.950 42.059 -0.206 0.000 1.153 520 L HN 0.337 nan 8.230 nan 0.000 0.490 521 D N 4.891 125.496 120.400 0.341 0.000 2.614 521 D HA 0.277 4.922 4.640 0.008 0.000 0.203 521 D C -2.722 173.753 176.300 0.292 0.000 1.312 521 D CA -0.955 53.201 54.000 0.260 0.000 0.889 521 D CB 2.268 43.163 40.800 0.158 0.000 1.615 521 D HN 0.089 nan 8.370 nan 0.000 0.567 522 P HA 0.355 nan 4.420 nan 0.000 0.277 522 P C -0.702 176.641 177.300 0.072 0.000 1.240 522 P CA -0.465 62.612 63.100 -0.039 0.000 0.798 522 P CB 1.103 32.697 31.700 -0.175 0.000 0.979 523 S N 2.491 118.237 115.700 0.077 0.000 2.482 523 S HA 0.511 4.986 4.470 0.008 0.000 0.303 523 S C -2.446 172.230 174.600 0.126 0.000 1.091 523 S CA -1.296 56.967 58.200 0.105 0.000 1.057 523 S CB 1.523 64.740 63.200 0.029 0.000 1.031 523 S HN 0.439 nan 8.310 nan 0.000 0.485 524 P HA 0.133 nan 4.420 nan 0.000 0.278 524 P C -0.980 176.115 177.300 -0.342 0.000 1.238 524 P CA -0.358 62.533 63.100 -0.348 0.000 0.794 524 P CB 0.666 32.294 31.700 -0.121 0.000 0.955 525 D N 2.510 122.606 120.400 -0.507 0.000 2.304 525 D HA 0.054 4.699 4.640 0.008 0.000 0.250 525 D C 0.926 177.073 176.300 -0.255 0.000 1.107 525 D CA -0.326 53.475 54.000 -0.332 0.000 0.885 525 D CB 0.927 41.504 40.800 -0.372 0.000 1.192 525 D HN 0.124 nan 8.370 nan 0.000 0.436 526 R N 2.613 123.014 120.500 -0.166 0.000 2.297 526 R HA 0.064 4.409 4.340 0.008 0.000 0.197 526 R C 1.135 177.373 176.300 -0.102 0.000 0.943 526 R CA 0.245 56.275 56.100 -0.116 0.000 1.038 526 R CB 0.031 30.287 30.300 -0.074 0.000 0.957 526 R HN 0.325 nan 8.270 nan 0.000 0.484 527 V N -0.700 119.139 119.914 -0.126 0.000 3.090 527 V HA 0.159 4.284 4.120 0.008 0.000 0.237 527 V C 0.692 176.719 176.094 -0.112 0.000 1.209 527 V CA 0.356 62.598 62.300 -0.096 0.000 1.209 527 V CB 0.791 32.568 31.823 -0.076 0.000 0.971 527 V HN -0.212 nan 8.190 nan 0.000 0.477 528 V N 1.366 121.165 119.914 -0.192 0.000 2.769 528 V HA 0.441 4.566 4.120 0.008 0.000 0.312 528 V C -0.300 175.672 176.094 -0.203 0.000 1.058 528 V CA -0.717 61.466 62.300 -0.195 0.000 0.952 528 V CB 2.098 33.682 31.823 -0.398 0.000 1.019 528 V HN 0.311 nan 8.190 nan 0.000 0.445 529 L N 4.888 126.041 121.223 -0.117 0.000 2.536 529 L HA 0.347 4.692 4.340 0.008 0.000 0.282 529 L C -0.039 176.739 176.870 -0.154 0.000 1.174 529 L CA 1.120 55.890 54.840 -0.115 0.000 0.989 529 L CB -1.368 40.689 42.059 -0.004 0.000 1.311 529 L HN 0.857 nan 8.230 nan 0.000 0.455 530 N N 3.103 121.579 118.700 -0.373 0.000 2.927 530 N HA 0.514 5.259 4.740 0.008 0.000 0.248 530 N C -1.829 173.252 175.510 -0.715 0.000 1.443 530 N CA -0.589 52.275 53.050 -0.309 0.000 0.870 530 N CB 1.102 39.441 38.487 -0.246 0.000 1.444 530 N HN 0.235 nan 8.380 nan 0.000 0.519 531 F N 0.374 120.240 119.950 -0.141 0.000 2.641 531 F HA 0.464 4.996 4.527 0.008 0.000 0.308 531 F C -0.084 175.540 175.800 -0.292 0.000 1.105 531 F CA -0.372 57.509 58.000 -0.198 0.000 0.964 531 F CB 2.127 41.003 39.000 -0.208 0.000 1.294 531 F HN 0.528 nan 8.300 nan 0.000 0.442 532 S N 0.352 115.948 115.700 -0.174 0.000 2.638 532 S HA 0.743 5.218 4.470 0.008 0.000 0.274 532 S C -1.456 172.885 174.600 -0.431 0.000 1.157 532 S CA -0.886 57.117 58.200 -0.328 0.000 0.826 532 S CB 1.425 64.541 63.200 -0.140 0.000 1.139 532 S HN 0.329 nan 8.310 nan 0.000 0.474 533 F N 2.039 122.004 119.950 0.025 0.000 2.368 533 F HA 0.434 4.965 4.527 0.008 0.000 0.362 533 F C 1.466 177.265 175.800 -0.002 0.000 1.137 533 F CA -0.506 57.506 58.000 0.019 0.000 1.161 533 F CB 0.868 39.872 39.000 0.006 0.000 1.265 533 F HN 0.608 nan 8.300 nan 0.000 0.530 534 E N 1.758 122.030 120.200 0.121 0.000 2.132 534 E HA 0.044 4.399 4.350 0.008 0.000 0.193 534 E C 0.663 177.317 176.600 0.089 0.000 0.951 534 E CA 0.726 57.166 56.400 0.066 0.000 0.843 534 E CB 0.186 29.899 29.700 0.022 0.000 0.807 534 E HN 0.326 nan 8.360 nan 0.000 0.467 535 V N 0.568 120.545 119.914 0.105 0.000 2.235 535 V HA 0.382 4.507 4.120 0.008 0.000 0.266 535 V C 0.377 176.543 176.094 0.120 0.000 1.055 535 V CA -0.585 61.761 62.300 0.077 0.000 0.844 535 V CB 0.711 32.557 31.823 0.039 0.000 1.097 535 V HN 0.019 nan 8.190 nan 0.000 0.453 536 V N 0.105 120.129 119.914 0.182 0.000 3.111 536 V HA 0.523 4.648 4.120 0.008 0.000 0.343 536 V C 0.390 176.623 176.094 0.231 0.000 1.417 536 V CA 0.557 62.982 62.300 0.209 0.000 1.142 536 V CB 0.146 32.112 31.823 0.238 0.000 1.114 536 V HN 0.679 nan 8.190 nan 0.000 0.520 537 S N 1.471 117.251 115.700 0.134 0.000 2.462 537 S HA 0.737 5.212 4.470 0.008 0.000 0.294 537 S C -0.577 174.068 174.600 0.074 0.000 1.144 537 S CA -0.414 57.803 58.200 0.028 0.000 1.088 537 S CB 1.374 64.516 63.200 -0.097 0.000 1.009 537 S HN 0.703 nan 8.310 nan 0.000 0.484 538 K N 3.727 124.207 120.400 0.135 0.000 2.546 538 K HA 0.581 4.905 4.320 0.008 0.000 0.264 538 K C -3.006 173.571 176.600 -0.038 0.000 0.937 538 K CA -2.079 54.257 56.287 0.082 0.000 0.833 538 K CB 2.143 34.605 32.500 -0.064 0.000 1.378 538 K HN 0.382 nan 8.250 nan 0.000 0.432 539 P HA 0.398 nan 4.420 nan 0.000 0.284 539 P C -1.164 175.803 177.300 -0.554 0.000 1.258 539 P CA -0.353 62.565 63.100 -0.304 0.000 0.824 539 P CB 0.746 32.263 31.700 -0.306 0.000 1.038 540 F N -0.287 119.311 119.950 -0.587 0.000 2.629 540 F HA 0.581 5.113 4.527 0.008 0.000 0.316 540 F C -0.049 175.384 175.800 -0.612 0.000 1.081 540 F CA -0.897 56.746 58.000 -0.595 0.000 0.954 540 F CB 1.973 40.520 39.000 -0.754 0.000 1.337 540 F HN 0.078 nan 8.300 nan 0.000 0.474 541 V N 2.437 122.219 119.914 -0.220 0.000 3.078 541 V HA 0.728 4.853 4.120 0.008 0.000 0.311 541 V C -1.596 174.417 176.094 -0.135 0.000 1.138 541 V CA -0.765 61.313 62.300 -0.370 0.000 1.007 541 V CB 2.502 33.953 31.823 -0.620 0.000 1.045 541 V HN 0.600 nan 8.190 nan 0.000 0.432 542 I N 5.653 126.131 120.570 -0.153 0.000 2.534 542 I HA 0.409 4.584 4.170 0.008 0.000 0.286 542 I C -2.718 173.342 176.117 -0.094 0.000 1.094 542 I CA -1.638 59.625 61.300 -0.062 0.000 1.055 542 I CB 2.782 40.785 38.000 0.006 0.000 1.225 542 I HN 0.470 nan 8.210 nan 0.000 0.435 543 P HA 0.203 nan 4.420 nan 0.000 0.282 543 P C 0.573 177.858 177.300 -0.026 0.000 1.262 543 P CA -0.231 62.846 63.100 -0.038 0.000 0.773 543 P CB 1.284 32.966 31.700 -0.030 0.000 0.879 544 L N 2.706 123.938 121.223 0.014 0.000 2.465 544 L HA 0.074 4.419 4.340 0.008 0.000 0.224 544 L C 1.116 178.046 176.870 0.100 0.000 1.145 544 L CA 0.875 55.720 54.840 0.008 0.000 0.834 544 L CB -0.314 41.758 42.059 0.021 0.000 0.944 544 L HN 0.346 nan 8.230 nan 0.000 0.451 545 I N 0.715 121.328 120.570 0.070 0.000 2.359 545 I HA 0.272 4.447 4.170 0.008 0.000 0.284 545 I C -2.225 173.887 176.117 -0.008 0.000 1.018 545 I CA -2.084 59.233 61.300 0.029 0.000 1.173 545 I CB 1.437 39.430 38.000 -0.012 0.000 1.326 545 I HN -0.281 nan 8.210 nan 0.000 0.462 546 P HA 0.018 nan 4.420 nan 0.000 0.264 546 P C 0.915 178.198 177.300 -0.028 0.000 1.183 546 P CA 0.855 63.934 63.100 -0.034 0.000 0.763 546 P CB 0.594 32.271 31.700 -0.039 0.000 0.807 547 G N 1.291 110.074 108.800 -0.029 0.000 2.217 547 G HA2 -0.238 3.727 3.960 0.008 0.000 0.246 547 G HA3 -0.238 3.727 3.960 0.008 0.000 0.246 547 G C 0.508 175.397 174.900 -0.019 0.000 0.990 547 G CA 0.117 45.203 45.100 -0.023 0.000 0.627 547 G HN 0.708 nan 8.290 nan 0.000 0.522 548 S N 2.584 118.273 115.700 -0.019 0.000 2.537 548 S HA 0.655 5.130 4.470 0.008 0.000 0.275 548 S C -1.572 173.020 174.600 -0.014 0.000 1.272 548 S CA -0.699 57.493 58.200 -0.013 0.000 1.050 548 S CB 1.589 64.784 63.200 -0.008 0.000 0.961 548 S HN 0.397 nan 8.310 nan 0.000 0.496 549 P HA 0.202 nan 4.420 nan 0.000 0.281 549 P C -0.965 176.327 177.300 -0.013 0.000 1.281 549 P CA -0.844 62.249 63.100 -0.011 0.000 0.811 549 P CB 0.427 32.124 31.700 -0.004 0.000 1.154 550 N N 1.972 120.661 118.700 -0.019 0.000 2.429 550 N HA -0.010 4.735 4.740 0.008 0.000 0.271 550 N C -1.200 174.311 175.510 0.002 0.000 1.272 550 N CA -1.476 51.556 53.050 -0.030 0.000 0.921 550 N CB -0.024 38.441 38.487 -0.036 0.000 1.128 550 N HN 0.191 nan 8.380 nan 0.000 0.481 551 P HA -0.189 nan 4.420 nan 0.000 0.216 551 P C 0.992 178.341 177.300 0.081 0.000 1.150 551 P CA 1.682 64.820 63.100 0.065 0.000 0.843 551 P CB -0.223 31.544 31.700 0.112 0.000 0.787 552 T N -3.375 111.238 114.554 0.099 0.000 3.113 552 T HA 0.009 4.364 4.350 0.008 0.000 0.263 552 T C 1.627 176.377 174.700 0.083 0.000 1.143 552 T CA 0.621 62.795 62.100 0.123 0.000 1.090 552 T CB -0.664 68.301 68.868 0.162 0.000 0.922 552 T HN 0.161 nan 8.240 nan 0.000 0.521 553 K N 0.703 121.130 120.400 0.045 0.000 2.486 553 K HA 0.279 4.604 4.320 0.008 0.000 0.194 553 K C 0.417 177.034 176.600 0.029 0.000 1.033 553 K CA 0.022 56.327 56.287 0.030 0.000 1.004 553 K CB -0.371 32.136 32.500 0.012 0.000 0.798 553 K HN 0.391 nan 8.250 nan 0.000 0.495 554 L N 1.050 122.293 121.223 0.034 0.000 3.677 554 L HA -0.195 4.150 4.340 0.008 0.000 0.464 554 L C -0.636 176.243 176.870 0.016 0.000 1.278 554 L CA -0.239 54.616 54.840 0.025 0.000 0.806 554 L CB -1.899 40.172 42.059 0.021 0.000 1.610 554 L HN -0.109 nan 8.230 nan 0.000 0.867 555 V N 0.215 120.138 119.914 0.014 0.000 2.461 555 V HA 0.260 4.385 4.120 0.008 0.000 0.275 555 V C -1.332 174.767 176.094 0.008 0.000 1.047 555 V CA -1.297 61.009 62.300 0.009 0.000 0.955 555 V CB 0.937 32.764 31.823 0.006 0.000 0.988 555 V HN 0.153 nan 8.190 nan 0.000 0.471 556 P HA 0.039 nan 4.420 nan 0.000 0.262 556 P C 0.704 178.006 177.300 0.004 0.000 1.182 556 P CA -0.116 62.987 63.100 0.005 0.000 0.761 556 P CB 0.469 32.171 31.700 0.003 0.000 0.795 557 R N 3.803 124.306 120.500 0.005 0.000 2.105 557 R HA -0.166 4.179 4.340 0.008 0.000 0.239 557 R C 1.833 178.134 176.300 0.001 0.000 1.135 557 R CA 2.416 58.518 56.100 0.003 0.000 0.967 557 R CB -1.268 29.034 30.300 0.004 0.000 0.861 557 R HN 0.526 nan 8.270 nan 0.000 0.442 558 S N -0.735 114.965 115.700 0.001 0.000 2.423 558 S HA -0.119 4.356 4.470 0.008 0.000 0.231 558 S C 1.835 176.434 174.600 -0.001 0.000 1.014 558 S CA 1.351 59.551 58.200 -0.001 0.000 0.965 558 S CB -0.226 62.974 63.200 -0.001 0.000 0.785 558 S HN 0.405 nan 8.310 nan 0.000 0.495 559 M N 2.137 121.736 119.600 -0.001 0.000 2.495 559 M HA 0.130 4.615 4.480 0.008 0.000 0.237 559 M C 0.200 176.499 176.300 -0.002 0.000 1.131 559 M CA 0.270 55.569 55.300 -0.001 0.000 1.032 559 M CB 0.237 32.837 32.600 -0.000 0.000 1.513 559 M HN 0.434 nan 8.290 nan 0.000 0.488 560 T N -1.407 113.146 114.554 -0.002 0.000 2.792 560 T HA 0.453 4.808 4.350 0.008 0.000 0.280 560 T C 0.183 174.879 174.700 -0.006 0.000 0.990 560 T CA -0.887 61.211 62.100 -0.004 0.000 0.960 560 T CB 1.486 70.353 68.868 -0.002 0.000 0.939 560 T HN 0.167 nan 8.240 nan 0.000 0.439 561 S N 2.303 117.998 115.700 -0.008 0.000 3.489 561 S HA 0.390 4.865 4.470 0.008 0.000 0.227 561 S C 0.087 174.679 174.600 -0.013 0.000 1.360 561 S CA -0.743 57.451 58.200 -0.010 0.000 0.934 561 S CB -0.001 63.193 63.200 -0.010 0.000 1.410 561 S HN 0.733 nan 8.310 nan 0.000 0.483 562 E N 2.505 122.697 120.200 -0.013 0.000 3.753 562 E HA 0.678 5.033 4.350 0.008 0.000 0.554 562 E C 0.919 177.505 176.600 -0.023 0.000 0.301 562 E CA 0.465 56.855 56.400 -0.017 0.000 3.317 562 E CB -0.366 29.326 29.700 -0.015 0.000 2.350 562 E HN 1.060 nan 8.360 nan 0.000 0.382 563 A N -0.786 122.016 122.820 -0.029 0.000 2.914 563 A HA -0.052 4.272 4.320 0.008 0.000 0.280 563 A C 0.616 178.173 177.584 -0.044 0.000 1.447 563 A CA 0.684 52.699 52.037 -0.037 0.000 0.759 563 A CB -2.271 16.712 19.000 -0.028 0.000 1.034 563 A HN 0.447 nan 8.150 nan 0.000 0.529 564 G N -1.294 107.475 108.800 -0.052 0.000 2.702 564 G HA2 0.637 4.602 3.960 0.008 0.000 0.254 564 G HA3 0.637 4.602 3.960 0.008 0.000 0.254 564 G C -0.236 174.613 174.900 -0.086 0.000 1.380 564 G CA 0.312 45.380 45.100 -0.053 0.000 1.042 564 G HN 0.731 nan 8.290 nan 0.000 0.557 565 E N -1.710 118.445 120.200 -0.076 0.000 2.359 565 E HA 0.356 4.710 4.350 0.008 0.000 0.266 565 E C -1.082 175.493 176.600 -0.042 0.000 0.920 565 E CA -0.816 55.519 56.400 -0.109 0.000 0.788 565 E CB 1.775 31.440 29.700 -0.060 0.000 1.279 565 E HN 0.441 nan 8.360 nan 0.000 0.438 566 Y N 1.308 121.605 120.300 -0.005 0.000 2.717 566 Y HA -0.000 4.555 4.550 0.008 0.000 0.330 566 Y C 0.387 176.243 175.900 -0.073 0.000 1.217 566 Y CA 0.410 58.496 58.100 -0.023 0.000 1.506 566 Y CB 0.519 39.020 38.460 0.068 0.000 1.268 566 Y HN 0.298 nan 8.280 nan 0.000 0.561 567 D N 4.744 125.177 120.400 0.056 0.000 2.470 567 D HA 0.135 4.780 4.640 0.008 0.000 0.233 567 D C -0.463 175.703 176.300 -0.224 0.000 1.372 567 D CA -0.309 53.640 54.000 -0.085 0.000 0.994 567 D CB 0.868 41.640 40.800 -0.046 0.000 1.377 567 D HN 0.543 nan 8.370 nan 0.000 0.586 568 L N 2.288 123.213 121.223 -0.497 0.000 2.611 568 L HA 0.230 4.575 4.340 0.008 0.000 0.229 568 L C 0.411 177.047 176.870 -0.390 0.000 1.137 568 L CA -0.086 54.370 54.840 -0.640 0.000 0.901 568 L CB -0.540 40.803 42.059 -1.193 0.000 1.098 568 L HN 0.100 nan 8.230 nan 0.000 0.456 569 N N 0.910 119.501 118.700 -0.181 0.000 2.513 569 N HA 0.004 4.749 4.740 0.008 0.000 0.268 569 N C 0.057 175.558 175.510 -0.015 0.000 1.180 569 N CA -0.149 52.937 53.050 0.060 0.000 0.948 569 N CB 0.335 38.867 38.487 0.074 0.000 1.083 569 N HN 0.059 nan 8.380 nan 0.000 0.455 570 D N 1.177 121.593 120.400 0.026 0.000 2.792 570 D HA -0.237 4.408 4.640 0.008 0.000 0.231 570 D C 1.194 177.255 176.300 -0.397 0.000 1.160 570 D CA 0.643 54.472 54.000 -0.286 0.000 0.697 570 D CB -0.692 39.941 40.800 -0.279 0.000 1.070 570 D HN 0.709 nan 8.370 nan 0.000 0.426 571 M N -1.625 117.888 119.600 -0.145 0.000 2.296 571 M HA -0.202 4.283 4.480 0.008 0.000 0.265 571 M C 2.167 178.399 176.300 -0.113 0.000 1.064 571 M CA 1.214 56.439 55.300 -0.125 0.000 1.109 571 M CB -0.735 31.810 32.600 -0.091 0.000 1.396 571 M HN 0.165 nan 8.290 nan 0.000 0.430 572 Y N 0.489 120.760 120.300 -0.050 0.000 2.483 572 Y HA 0.096 4.651 4.550 0.008 0.000 0.291 572 Y C 1.667 177.551 175.900 -0.026 0.000 1.143 572 Y CA 0.804 58.874 58.100 -0.050 0.000 1.289 572 Y CB -1.069 37.354 38.460 -0.060 0.000 0.983 572 Y HN 0.236 nan 8.280 nan 0.000 0.556 573 K N 0.658 120.750 120.400 -0.514 0.000 2.228 573 K HA 0.056 4.380 4.320 0.008 0.000 0.202 573 K C 1.769 178.288 176.600 -0.135 0.000 1.051 573 K CA 0.795 56.894 56.287 -0.314 0.000 0.960 573 K CB -0.034 32.230 32.500 -0.393 0.000 0.743 573 K HN 0.384 nan 8.250 nan 0.000 0.458 574 R N 1.237 121.664 120.500 -0.121 0.000 2.297 574 R HA 0.039 4.384 4.340 0.008 0.000 0.197 574 R C 0.678 176.970 176.300 -0.013 0.000 0.943 574 R CA 0.095 56.158 56.100 -0.062 0.000 1.038 574 R CB 0.000 30.260 30.300 -0.068 0.000 0.957 574 R HN 0.085 nan 8.270 nan 0.000 0.484 575 S N 0.651 116.362 115.700 0.020 0.000 2.558 575 S HA 0.076 4.551 4.470 0.008 0.000 0.287 575 S C 0.172 174.840 174.600 0.113 0.000 1.321 575 S CA -0.421 57.834 58.200 0.092 0.000 1.048 575 S CB 1.408 64.688 63.200 0.132 0.000 0.844 575 S HN 0.122 nan 8.310 nan 0.000 0.512 576 S N 2.206 117.995 115.700 0.149 0.000 2.537 576 S HA 0.711 5.186 4.470 0.008 0.000 0.270 576 S C -3.113 171.526 174.600 0.065 0.000 1.142 576 S CA -1.314 56.949 58.200 0.105 0.000 0.870 576 S CB 1.862 65.067 63.200 0.008 0.000 1.112 576 S HN 0.725 nan 8.310 nan 0.000 0.466 577 P HA 0.506 nan 4.420 nan 0.000 0.283 577 P C -0.926 176.148 177.300 -0.378 0.000 1.278 577 P CA -0.793 61.950 63.100 -0.595 0.000 0.834 577 P CB 0.897 32.125 31.700 -0.788 0.000 1.150 578 I N -0.733 119.573 120.570 -0.440 0.000 2.441 578 I HA 0.397 4.572 4.170 0.008 0.000 0.295 578 I C 0.146 176.068 176.117 -0.324 0.000 0.994 578 I CA -0.874 60.236 61.300 -0.315 0.000 1.144 578 I CB 1.361 39.172 38.000 -0.316 0.000 1.314 578 I HN 0.075 nan 8.210 nan 0.000 0.445 579 N N 6.011 124.588 118.700 -0.205 0.000 2.736 579 N HA 0.103 4.848 4.740 0.008 0.000 0.307 579 N C -1.259 174.174 175.510 -0.128 0.000 1.212 579 N CA 0.280 53.258 53.050 -0.120 0.000 1.158 579 N CB -0.300 38.185 38.487 -0.004 0.000 1.460 579 N HN 0.460 nan 8.380 nan 0.000 0.514 580 V N 1.680 121.477 119.914 -0.195 0.000 2.656 580 V HA 0.136 4.261 4.120 0.008 0.000 0.307 580 V C -0.302 175.778 176.094 -0.023 0.000 1.051 580 V CA -1.115 61.096 62.300 -0.148 0.000 0.893 580 V CB 2.159 33.780 31.823 -0.336 0.000 0.999 580 V HN 0.281 nan 8.190 nan 0.000 0.426 581 D N 5.604 126.036 120.400 0.053 0.000 2.525 581 D HA 0.136 4.781 4.640 0.008 0.000 0.235 581 D C -2.315 174.076 176.300 0.151 0.000 1.137 581 D CA -0.407 53.646 54.000 0.088 0.000 0.868 581 D CB 0.769 41.629 40.800 0.100 0.000 1.180 581 D HN 0.296 nan 8.370 nan 0.000 0.465 582 P HA 0.272 nan 4.420 nan 0.000 0.269 582 P C 0.089 177.375 177.300 -0.023 0.000 1.209 582 P CA -0.064 63.076 63.100 0.067 0.000 0.776 582 P CB 0.997 32.731 31.700 0.056 0.000 0.876 583 G N 0.662 109.279 108.800 -0.305 0.000 2.694 583 G HA2 0.392 4.357 3.960 0.008 0.000 0.246 583 G HA3 0.392 4.357 3.960 0.008 0.000 0.246 583 G C -1.675 172.888 174.900 -0.561 0.000 1.205 583 G CA -0.209 44.598 45.100 -0.489 0.000 0.891 583 G HN 0.412 nan 8.290 nan 0.000 0.515 584 D N -0.034 120.028 120.400 -0.564 0.000 2.378 584 D HA 0.441 5.086 4.640 0.008 0.000 0.265 584 D C -1.307 174.949 176.300 -0.075 0.000 1.229 584 D CA -0.410 53.503 54.000 -0.145 0.000 0.914 584 D CB 0.108 40.953 40.800 0.075 0.000 1.140 584 D HN 0.293 nan 8.370 nan 0.000 0.516 585 Y N 1.618 122.052 120.300 0.223 0.000 2.334 585 Y HA 0.426 4.981 4.550 0.008 0.000 0.328 585 Y C 1.662 177.745 175.900 0.305 0.000 1.130 585 Y CA -1.010 57.217 58.100 0.212 0.000 1.163 585 Y CB 1.461 39.973 38.460 0.086 0.000 1.207 585 Y HN 0.059 nan 8.280 nan 0.000 0.471 586 R N 2.030 122.834 120.500 0.507 0.000 2.476 586 R HA 0.303 4.648 4.340 0.008 0.000 0.276 586 R C -0.655 175.790 176.300 0.241 0.000 0.941 586 R CA 0.050 56.386 56.100 0.394 0.000 1.088 586 R CB 0.829 31.292 30.300 0.272 0.000 1.216 586 R HN 0.855 nan 8.270 nan 0.000 0.533 587 M N 0.155 119.878 119.600 0.205 0.000 2.569 587 M HA 0.394 4.879 4.480 0.008 0.000 0.287 587 M C -2.101 174.226 176.300 0.044 0.000 1.130 587 M CA -0.598 54.754 55.300 0.087 0.000 0.885 587 M CB 2.366 35.000 32.600 0.057 0.000 1.759 587 M HN 0.016 nan 8.290 nan 0.000 0.515 588 I N 4.867 125.424 120.570 -0.022 0.000 2.499 588 I HA 0.572 4.747 4.170 0.008 0.000 0.288 588 I C -1.876 174.197 176.117 -0.073 0.000 1.048 588 I CA -0.741 60.514 61.300 -0.075 0.000 1.062 588 I CB 1.639 39.567 38.000 -0.120 0.000 1.238 588 I HN 0.773 nan 8.210 nan 0.000 0.426 589 I N 9.739 130.257 120.570 -0.087 0.000 2.437 589 I HA 0.370 4.545 4.170 0.008 0.000 0.279 589 I C -2.353 173.662 176.117 -0.170 0.000 1.028 589 I CA -1.830 59.416 61.300 -0.089 0.000 1.142 589 I CB 1.759 39.746 38.000 -0.022 0.000 1.266 589 I HN 0.347 nan 8.210 nan 0.000 0.461 590 P HA 0.281 nan 4.420 nan 0.000 0.276 590 P C -0.837 176.352 177.300 -0.186 0.000 1.243 590 P CA 0.041 62.878 63.100 -0.438 0.000 0.768 590 P CB 1.399 32.520 31.700 -0.965 0.000 0.856 591 L N 1.797 122.948 121.223 -0.119 0.000 2.260 591 L HA 0.359 4.704 4.340 0.008 0.000 0.265 591 L C 2.235 179.094 176.870 -0.019 0.000 1.015 591 L CA -0.843 53.972 54.840 -0.042 0.000 0.826 591 L CB 0.811 42.858 42.059 -0.019 0.000 1.373 591 L HN 0.313 nan 8.230 nan 0.000 0.450 592 E N 0.539 120.741 120.200 0.004 0.000 2.026 592 E HA -0.252 4.102 4.350 0.008 0.000 0.206 592 E C 1.164 177.774 176.600 0.017 0.000 1.028 592 E CA 2.345 58.755 56.400 0.017 0.000 0.845 592 E CB 0.061 29.771 29.700 0.018 0.000 0.772 592 E HN 0.625 nan 8.360 nan 0.000 0.462 593 S N -0.859 114.845 115.700 0.007 0.000 2.663 593 S HA 0.252 4.726 4.470 0.008 0.000 0.243 593 S C -0.170 174.421 174.600 -0.014 0.000 1.009 593 S CA -0.078 58.122 58.200 -0.000 0.000 0.988 593 S CB 0.595 63.791 63.200 -0.008 0.000 0.896 593 S HN 0.298 nan 8.310 nan 0.000 0.502 594 S N 0.479 116.177 115.700 -0.004 0.000 2.643 594 S HA 0.781 5.256 4.470 0.008 0.000 0.270 594 S C -1.422 173.188 174.600 0.016 0.000 1.166 594 S CA -1.031 57.169 58.200 0.001 0.000 0.815 594 S CB 0.775 63.965 63.200 -0.017 0.000 1.139 594 S HN 0.309 nan 8.310 nan 0.000 0.472 595 I N 1.411 122.018 120.570 0.062 0.000 2.534 595 I HA 0.365 4.540 4.170 0.008 0.000 0.288 595 I C -1.073 175.049 176.117 0.008 0.000 1.077 595 I CA -0.866 60.431 61.300 -0.005 0.000 1.051 595 I CB 1.816 39.807 38.000 -0.015 0.000 1.234 595 I HN 0.471 nan 8.210 nan 0.000 0.425 596 L N 6.532 127.741 121.223 -0.024 0.000 2.334 596 L HA 0.593 4.938 4.340 0.008 0.000 0.277 596 L C -0.226 176.628 176.870 -0.027 0.000 1.075 596 L CA -0.348 54.495 54.840 0.005 0.000 0.804 596 L CB 1.492 43.574 42.059 0.038 0.000 1.174 596 L HN 0.505 nan 8.230 nan 0.000 0.438 597 I N 2.669 123.225 120.570 -0.024 0.000 2.619 597 I HA 0.238 4.412 4.170 0.008 0.000 0.292 597 I C -1.202 174.954 176.117 0.065 0.000 1.100 597 I CA -0.759 60.503 61.300 -0.064 0.000 1.043 597 I CB 2.572 40.388 38.000 -0.307 0.000 1.239 597 I HN 0.392 nan 8.210 nan 0.000 0.420 598 Y N 5.066 125.390 120.300 0.040 0.000 2.341 598 Y HA 0.470 5.025 4.550 0.008 0.000 0.340 598 Y C 0.157 176.203 175.900 0.244 0.000 0.997 598 Y CA 0.139 58.316 58.100 0.128 0.000 1.149 598 Y CB 1.382 39.922 38.460 0.134 0.000 1.171 598 Y HN 0.554 nan 8.280 nan 0.000 0.494 599 S N 4.988 120.741 115.700 0.087 0.000 2.482 599 S HA 0.716 5.190 4.470 0.008 0.000 0.303 599 S C -1.710 172.951 174.600 0.102 0.000 1.091 599 S CA -0.621 57.740 58.200 0.268 0.000 1.057 599 S CB 1.046 64.426 63.200 0.299 0.000 1.031 599 S HN 0.468 nan 8.310 nan 0.000 0.485 600 V N 6.571 126.601 119.914 0.194 0.000 2.326 600 V HA 0.418 4.542 4.120 0.008 0.000 0.281 600 V C -2.289 173.906 176.094 0.168 0.000 1.015 600 V CA -1.812 60.602 62.300 0.190 0.000 0.823 600 V CB 1.073 33.072 31.823 0.293 0.000 1.009 600 V HN 0.764 nan 8.190 nan 0.000 0.436 601 P HA 0.060 nan 4.420 nan 0.000 0.267 601 P C -0.115 177.296 177.300 0.186 0.000 1.200 601 P CA 0.008 63.184 63.100 0.127 0.000 0.772 601 P CB 0.474 32.234 31.700 0.100 0.000 0.855 602 V N 4.790 124.764 119.914 0.100 0.000 2.599 602 V HA 0.098 4.223 4.120 0.008 0.000 0.300 602 V C 0.703 176.846 176.094 0.082 0.000 1.034 602 V CA 0.741 63.062 62.300 0.034 0.000 1.115 602 V CB -0.688 31.136 31.823 0.002 0.000 0.934 602 V HN 0.745 nan 8.190 nan 0.000 0.485 603 H N 2.330 121.429 119.070 0.048 0.000 3.016 603 H HA 0.581 5.142 4.556 0.008 0.000 0.362 603 H C -0.046 175.318 175.328 0.060 0.000 1.233 603 H CA -0.573 55.506 56.048 0.052 0.000 1.124 603 H CB 1.736 31.535 29.762 0.062 0.000 1.850 603 H HN 0.688 nan 8.280 nan 0.000 0.549 604 G N -0.017 108.885 108.800 0.170 0.000 2.606 604 G HA2 0.134 4.099 3.960 0.008 0.000 0.252 604 G HA3 0.134 4.099 3.960 0.008 0.000 0.252 604 G C 0.339 175.394 174.900 0.257 0.000 1.206 604 G CA -0.349 44.838 45.100 0.146 0.000 0.861 604 G HN 0.686 nan 8.290 nan 0.000 0.561 605 E N 0.602 120.925 120.200 0.205 0.000 2.498 605 E HA 0.041 4.396 4.350 0.008 0.000 0.203 605 E C 1.518 178.264 176.600 0.242 0.000 1.013 605 E CA -0.378 56.155 56.400 0.221 0.000 0.927 605 E CB 0.211 29.987 29.700 0.127 0.000 1.012 605 E HN 0.520 nan 8.360 nan 0.000 0.482 606 F N 2.341 122.379 119.950 0.146 0.000 2.095 606 F HA -0.235 4.297 4.527 0.008 0.000 0.298 606 F C 2.230 178.186 175.800 0.260 0.000 1.104 606 F CA 1.821 59.955 58.000 0.223 0.000 1.232 606 F CB -0.113 38.984 39.000 0.163 0.000 0.987 606 F HN 0.032 nan 8.300 nan 0.000 0.475 607 A N 0.010 123.102 122.820 0.454 0.000 1.933 607 A HA -0.052 4.273 4.320 0.008 0.000 0.218 607 A C 2.328 180.007 177.584 0.158 0.000 1.175 607 A CA 1.700 53.920 52.037 0.306 0.000 0.628 607 A CB -1.498 17.635 19.000 0.221 0.000 0.814 607 A HN 0.472 nan 8.150 nan 0.000 0.444 608 A N -2.327 120.578 122.820 0.141 0.000 2.014 608 A HA -0.003 4.322 4.320 0.008 0.000 0.218 608 A C 2.048 179.638 177.584 0.010 0.000 1.163 608 A CA 1.412 53.497 52.037 0.080 0.000 0.652 608 A CB -0.568 18.501 19.000 0.115 0.000 0.808 608 A HN 0.658 nan 8.150 nan 0.000 0.449 609 Y N -1.970 118.212 120.300 -0.196 0.000 2.365 609 Y HA -0.000 4.555 4.550 0.008 0.000 0.293 609 Y C 1.387 176.889 175.900 -0.663 0.000 1.119 609 Y CA 1.469 59.289 58.100 -0.466 0.000 1.203 609 Y CB 0.218 38.277 38.460 -0.667 0.000 1.026 609 Y HN 0.381 nan 8.280 nan 0.000 0.549 610 Y N -1.534 118.687 120.300 -0.131 0.000 2.453 610 Y HA 0.214 4.769 4.550 0.008 0.000 0.247 610 Y C 0.840 176.682 175.900 -0.098 0.000 1.124 610 Y CA -0.099 57.888 58.100 -0.189 0.000 1.243 610 Y CB 0.662 38.895 38.460 -0.377 0.000 1.213 610 Y HN 0.003 nan 8.280 nan 0.000 0.523 611 Q N -0.625 119.217 119.800 0.069 0.000 2.086 611 Q HA 0.272 4.617 4.340 0.008 0.000 0.220 611 Q C 1.245 177.263 176.000 0.030 0.000 0.792 611 Q CA 0.287 56.129 55.803 0.066 0.000 1.062 611 Q CB 1.564 30.367 28.738 0.108 0.000 1.198 611 Q HN 0.407 nan 8.270 nan 0.000 0.466 612 G N 1.517 110.315 108.800 -0.004 0.000 2.200 612 G HA2 -0.380 3.584 3.960 0.008 0.000 0.267 612 G HA3 -0.380 3.584 3.960 0.008 0.000 0.267 612 G C 0.440 175.350 174.900 0.016 0.000 0.993 612 G CA 0.287 45.383 45.100 -0.007 0.000 0.701 612 G HN 0.600 nan 8.290 nan 0.000 0.524 613 A N 1.179 124.020 122.820 0.035 0.000 2.548 613 A HA 0.515 4.840 4.320 0.008 0.000 0.247 613 A C -0.431 177.168 177.584 0.025 0.000 1.067 613 A CA 0.083 52.143 52.037 0.038 0.000 0.757 613 A CB 0.231 19.267 19.000 0.059 0.000 0.996 613 A HN 0.432 nan 8.150 nan 0.000 0.504 614 P HA 0.120 nan 4.420 nan 0.000 0.272 614 P C -0.395 176.896 177.300 -0.014 0.000 1.230 614 P CA -0.322 62.791 63.100 0.022 0.000 0.788 614 P CB 0.699 32.419 31.700 0.035 0.000 0.949 615 E N 1.470 121.668 120.200 -0.004 0.000 2.223 615 E HA 0.086 4.441 4.350 0.008 0.000 0.282 615 E C -0.278 176.315 176.600 -0.012 0.000 1.046 615 E CA -0.370 55.986 56.400 -0.074 0.000 0.857 615 E CB 0.370 30.093 29.700 0.039 0.000 1.055 615 E HN 0.229 nan 8.360 nan 0.000 0.409 616 K N 2.622 122.970 120.400 -0.086 0.000 2.276 616 K HA 0.336 4.660 4.320 0.008 0.000 0.285 616 K C 0.040 176.658 176.600 0.029 0.000 1.062 616 K CA -0.423 55.859 56.287 -0.008 0.000 0.918 616 K CB 1.610 34.088 32.500 -0.036 0.000 1.055 616 K HN 0.507 nan 8.250 nan 0.000 0.477 617 G N 0.903 109.730 108.800 0.045 0.000 2.735 617 G HA2 0.633 4.598 3.960 0.008 0.000 0.301 617 G HA3 0.633 4.598 3.960 0.008 0.000 0.301 617 G C -1.440 173.291 174.900 -0.282 0.000 1.279 617 G CA -0.537 44.484 45.100 -0.132 0.000 1.019 617 G HN 0.405 nan 8.290 nan 0.000 0.497 618 V N -0.414 119.226 119.914 -0.458 0.000 2.971 618 V HA 0.698 4.823 4.120 0.008 0.000 0.309 618 V C -1.588 174.274 176.094 -0.386 0.000 1.130 618 V CA -0.941 61.180 62.300 -0.299 0.000 0.964 618 V CB 2.025 33.766 31.823 -0.137 0.000 1.029 618 V HN 0.805 nan 8.190 nan 0.000 0.427 619 L N 6.616 127.721 121.223 -0.197 0.000 2.257 619 L HA 0.635 4.980 4.340 0.008 0.000 0.290 619 L C -0.807 176.047 176.870 -0.025 0.000 1.044 619 L CA 0.247 55.047 54.840 -0.068 0.000 0.810 619 L CB 0.704 42.807 42.059 0.073 0.000 1.193 619 L HN 0.671 nan 8.230 nan 0.000 0.425 620 L N 4.532 125.749 121.223 -0.009 0.000 2.352 620 L HA 0.587 4.932 4.340 0.008 0.000 0.269 620 L C -0.197 176.685 176.870 0.019 0.000 1.034 620 L CA -0.798 54.044 54.840 0.002 0.000 0.806 620 L CB 1.542 43.601 42.059 0.000 0.000 1.244 620 L HN 0.584 nan 8.230 nan 0.000 0.447 621 K N 1.386 121.802 120.400 0.027 0.000 2.345 621 K HA 0.328 4.653 4.320 0.008 0.000 0.255 621 K C -1.816 174.821 176.600 0.063 0.000 0.934 621 K CA -0.576 55.733 56.287 0.037 0.000 0.801 621 K CB 1.565 34.075 32.500 0.018 0.000 1.137 621 K HN 0.491 nan 8.250 nan 0.000 0.424 622 Y N 3.072 123.336 120.300 -0.059 0.000 2.356 622 Y HA 0.248 4.803 4.550 0.008 0.000 0.334 622 Y C -0.976 174.897 175.900 -0.046 0.000 0.958 622 Y CA -0.730 57.334 58.100 -0.060 0.000 1.196 622 Y CB 1.247 39.654 38.460 -0.088 0.000 1.137 622 Y HN 0.719 nan 8.280 nan 0.000 0.485 623 D N 5.119 125.204 120.400 -0.525 0.000 2.339 623 D HA 0.103 4.748 4.640 0.008 0.000 0.256 623 D C 1.193 177.105 176.300 -0.647 0.000 1.214 623 D CA 0.012 53.761 54.000 -0.417 0.000 0.877 623 D CB 1.264 41.902 40.800 -0.271 0.000 1.111 623 D HN 0.545 nan 8.370 nan 0.000 0.478 624 V N 2.690 122.406 119.914 -0.330 0.000 2.407 624 V HA -0.148 3.977 4.120 0.008 0.000 0.248 624 V C 2.066 178.074 176.094 -0.143 0.000 1.055 624 V CA 1.045 63.243 62.300 -0.170 0.000 1.049 624 V CB -0.467 31.377 31.823 0.034 0.000 0.662 624 V HN 0.408 nan 8.190 nan 0.000 0.455 625 K N 1.253 121.574 120.400 -0.132 0.000 2.031 625 K HA -0.052 4.273 4.320 0.008 0.000 0.205 625 K C 2.335 178.874 176.600 -0.101 0.000 1.049 625 K CA 2.106 58.342 56.287 -0.086 0.000 0.939 625 K CB -0.594 31.868 32.500 -0.062 0.000 0.717 625 K HN 0.786 nan 8.250 nan 0.000 0.438 626 T N -2.483 111.983 114.554 -0.147 0.000 3.060 626 T HA 0.158 4.513 4.350 0.008 0.000 0.249 626 T C 0.570 175.177 174.700 -0.156 0.000 1.079 626 T CA -0.206 61.821 62.100 -0.123 0.000 1.013 626 T CB 0.116 68.920 68.868 -0.107 0.000 0.975 626 T HN 0.228 nan 8.240 nan 0.000 0.518 627 R N 0.343 120.667 120.500 -0.293 0.000 3.863 627 R HA -0.133 4.212 4.340 0.008 0.000 0.313 627 R C -0.079 176.086 176.300 -0.224 0.000 1.202 627 R CA 0.874 56.769 56.100 -0.342 0.000 0.852 627 R CB -1.639 28.643 30.300 -0.029 0.000 1.292 627 R HN 0.553 nan 8.270 nan 0.000 0.519 628 K N 1.308 121.561 120.400 -0.244 0.000 2.156 628 K HA 0.399 4.723 4.320 0.008 0.000 0.271 628 K C -0.216 176.325 176.600 -0.099 0.000 0.995 628 K CA -0.419 55.800 56.287 -0.112 0.000 0.890 628 K CB 1.388 33.837 32.500 -0.084 0.000 1.073 628 K HN -0.093 nan 8.250 nan 0.000 0.454 629 V N 3.022 122.938 119.914 0.003 0.000 2.532 629 V HA 0.428 4.552 4.120 0.008 0.000 0.295 629 V C -0.121 175.982 176.094 0.015 0.000 1.041 629 V CA -0.459 61.866 62.300 0.042 0.000 0.926 629 V CB 1.652 33.534 31.823 0.100 0.000 0.992 629 V HN 1.070 nan 8.190 nan 0.000 0.457 630 T N 0.278 114.839 114.554 0.011 0.000 2.868 630 T HA 0.496 4.851 4.350 0.008 0.000 0.306 630 T C -0.865 173.834 174.700 -0.002 0.000 1.224 630 T CA -0.781 61.318 62.100 -0.001 0.000 1.012 630 T CB 1.900 70.760 68.868 -0.014 0.000 1.221 630 T HN 0.649 nan 8.240 nan 0.000 0.499 631 E N 0.855 121.048 120.200 -0.012 0.000 2.223 631 E HA 0.405 4.760 4.350 0.008 0.000 0.282 631 E C 0.127 176.705 176.600 -0.038 0.000 1.046 631 E CA -0.541 55.844 56.400 -0.024 0.000 0.857 631 E CB 1.014 30.696 29.700 -0.031 0.000 1.055 631 E HN 0.506 nan 8.360 nan 0.000 0.409 632 V N 4.121 124.012 119.914 -0.038 0.000 2.949 632 V HA 0.106 4.231 4.120 0.008 0.000 0.245 632 V C 0.207 176.228 176.094 -0.122 0.000 1.086 632 V CA 0.648 62.917 62.300 -0.053 0.000 1.097 632 V CB 0.150 31.977 31.823 0.006 0.000 0.762 632 V HN 0.558 nan 8.190 nan 0.000 0.470 633 K N 1.138 121.471 120.400 -0.111 0.000 2.579 633 K HA 0.336 4.661 4.320 0.008 0.000 0.257 633 K C -1.092 175.436 176.600 -0.120 0.000 0.950 633 K CA -0.316 55.873 56.287 -0.162 0.000 0.862 633 K CB 1.217 33.589 32.500 -0.214 0.000 1.317 633 K HN 0.294 nan 8.250 nan 0.000 0.436 634 N N 1.444 120.070 118.700 -0.123 0.000 2.813 634 N HA 0.457 5.202 4.740 0.008 0.000 0.320 634 N C -0.792 174.665 175.510 -0.090 0.000 1.315 634 N CA -0.514 52.476 53.050 -0.100 0.000 0.871 634 N CB 0.170 38.609 38.487 -0.080 0.000 1.241 634 N HN 0.607 nan 8.380 nan 0.000 0.602 635 N N -2.222 116.440 118.700 -0.064 0.000 2.725 635 N HA -0.163 4.582 4.740 0.008 0.000 0.249 635 N C -1.253 174.249 175.510 -0.012 0.000 1.103 635 N CA 0.474 53.500 53.050 -0.040 0.000 0.707 635 N CB -1.381 37.073 38.487 -0.055 0.000 1.043 635 N HN 0.421 nan 8.380 nan 0.000 0.553 636 L N -0.332 120.898 121.223 0.011 0.000 2.375 636 L HA 0.405 4.750 4.340 0.008 0.000 0.271 636 L C 1.722 178.706 176.870 0.189 0.000 1.107 636 L CA 0.156 55.061 54.840 0.109 0.000 0.806 636 L CB 1.224 43.376 42.059 0.155 0.000 1.146 636 L HN 0.342 nan 8.230 nan 0.000 0.447 637 T N -3.943 110.745 114.554 0.223 0.000 2.986 637 T HA 0.228 4.583 4.350 0.008 0.000 0.264 637 T C -0.082 174.767 174.700 0.248 0.000 0.964 637 T CA -0.195 62.035 62.100 0.218 0.000 0.895 637 T CB 0.442 69.386 68.868 0.127 0.000 1.163 637 T HN 0.519 nan 8.240 nan 0.000 0.517 638 D N -0.282 120.291 120.400 0.288 0.000 2.706 638 D HA 0.524 5.169 4.640 0.008 0.000 0.227 638 D C -2.082 174.419 176.300 0.336 0.000 1.233 638 D CA -0.499 53.661 54.000 0.266 0.000 0.768 638 D CB 2.102 43.136 40.800 0.390 0.000 1.490 638 D HN 0.308 nan 8.370 nan 0.000 0.458 639 L N 1.967 123.320 121.223 0.216 0.000 2.455 639 L HA 0.726 5.071 4.340 0.008 0.000 0.264 639 L C -1.430 175.511 176.870 0.119 0.000 0.968 639 L CA -0.549 54.434 54.840 0.239 0.000 0.827 639 L CB 1.524 43.739 42.059 0.261 0.000 1.317 639 L HN 0.291 nan 8.230 nan 0.000 0.407 640 R N 4.326 124.904 120.500 0.130 0.000 2.837 640 R HA 0.665 5.010 4.340 0.008 0.000 0.271 640 R C -1.672 174.641 176.300 0.022 0.000 0.993 640 R CA -0.729 55.379 56.100 0.014 0.000 0.931 640 R CB 2.390 32.652 30.300 -0.064 0.000 1.206 640 R HN 0.644 nan 8.270 nan 0.000 0.474 641 L N 0.540 121.763 121.223 -0.000 0.000 2.408 641 L HA 0.354 4.699 4.340 0.008 0.000 0.268 641 L C 0.431 177.303 176.870 0.004 0.000 0.986 641 L CA -0.524 54.313 54.840 -0.004 0.000 0.820 641 L CB 2.328 44.390 42.059 0.005 0.000 1.303 641 L HN 0.703 nan 8.230 nan 0.000 0.411 642 S N 2.015 117.715 115.700 0.001 0.000 2.572 642 S HA 0.094 4.568 4.470 0.008 0.000 0.262 642 S C 1.226 175.841 174.600 0.026 0.000 1.375 642 S CA 0.638 58.847 58.200 0.016 0.000 0.996 642 S CB 1.316 64.521 63.200 0.009 0.000 0.892 642 S HN 0.762 nan 8.310 nan 0.000 0.562 643 A N 1.686 124.526 122.820 0.034 0.000 1.929 643 A HA -0.014 4.311 4.320 0.008 0.000 0.216 643 A C 1.454 179.059 177.584 0.035 0.000 1.176 643 A CA 1.506 53.565 52.037 0.037 0.000 0.628 643 A CB -0.691 18.331 19.000 0.037 0.000 0.816 643 A HN 0.936 nan 8.150 nan 0.000 0.444 644 D N -1.575 118.844 120.400 0.031 0.000 2.319 644 D HA 0.027 4.671 4.640 0.008 0.000 0.230 644 D C 0.649 176.965 176.300 0.027 0.000 1.094 644 D CA -0.104 53.914 54.000 0.030 0.000 0.856 644 D CB -0.567 40.249 40.800 0.027 0.000 0.915 644 D HN 0.430 nan 8.370 nan 0.000 0.517 645 R N -0.611 119.903 120.500 0.024 0.000 3.946 645 R HA -0.239 4.106 4.340 0.008 0.000 0.329 645 R C 0.726 177.032 176.300 0.011 0.000 1.209 645 R CA 1.351 57.462 56.100 0.018 0.000 0.909 645 R CB -1.675 28.640 30.300 0.024 0.000 1.355 645 R HN 0.355 nan 8.270 nan 0.000 0.539 646 K N -0.414 119.992 120.400 0.009 0.000 2.276 646 K HA 0.082 4.407 4.320 0.008 0.000 0.198 646 K C 0.546 177.138 176.600 -0.012 0.000 1.052 646 K CA 0.813 57.105 56.287 0.008 0.000 0.984 646 K CB 0.561 33.072 32.500 0.018 0.000 0.836 646 K HN 0.011 nan 8.250 nan 0.000 0.490 647 T N 1.540 116.076 114.554 -0.029 0.000 2.824 647 T HA 0.386 4.740 4.350 0.008 0.000 0.280 647 T C -0.664 173.946 174.700 -0.149 0.000 0.995 647 T CA -0.600 61.455 62.100 -0.074 0.000 1.009 647 T CB 2.204 71.054 68.868 -0.030 0.000 0.955 647 T HN -0.258 nan 8.240 nan 0.000 0.452 648 V N 4.101 123.808 119.914 -0.346 0.000 2.495 648 V HA 0.570 4.695 4.120 0.008 0.000 0.298 648 V C -0.231 175.608 176.094 -0.426 0.000 1.031 648 V CA -0.890 61.119 62.300 -0.485 0.000 0.871 648 V CB 1.661 32.898 31.823 -0.975 0.000 0.988 648 V HN 0.888 nan 8.190 nan 0.000 0.432 649 M N 6.453 125.988 119.600 -0.109 0.000 2.383 649 M HA 0.839 5.324 4.480 0.008 0.000 0.325 649 M C -1.087 175.364 176.300 0.250 0.000 1.092 649 M CA -0.452 54.909 55.300 0.101 0.000 0.961 649 M CB 1.783 34.524 32.600 0.235 0.000 1.672 649 M HN 0.687 nan 8.290 nan 0.000 0.438 650 V N 1.709 121.792 119.914 0.282 0.000 3.182 650 V HA 0.814 4.939 4.120 0.008 0.000 0.308 650 V C -1.677 174.491 176.094 0.124 0.000 1.240 650 V CA -1.020 61.464 62.300 0.305 0.000 1.063 650 V CB 2.163 34.203 31.823 0.362 0.000 1.076 650 V HN 1.047 nan 8.190 nan 0.000 0.446 651 R N 1.048 121.602 120.500 0.089 0.000 2.621 651 R HA 0.700 5.044 4.340 0.008 0.000 0.292 651 R C -0.665 175.699 176.300 0.108 0.000 0.969 651 R CA -0.511 55.580 56.100 -0.015 0.000 0.887 651 R CB 2.109 32.297 30.300 -0.187 0.000 1.180 651 R HN 0.927 nan 8.270 nan 0.000 0.450 652 K N 1.449 121.929 120.400 0.133 0.000 2.288 652 K HA 0.165 4.489 4.320 0.008 0.000 0.234 652 K C 0.092 176.732 176.600 0.068 0.000 1.037 652 K CA -0.637 55.698 56.287 0.080 0.000 0.914 652 K CB 0.866 33.373 32.500 0.012 0.000 1.197 652 K HN 0.792 nan 8.250 nan 0.000 0.471 653 D N 0.441 120.866 120.400 0.042 0.000 2.351 653 D HA -0.169 4.476 4.640 0.008 0.000 0.216 653 D C 0.624 176.943 176.300 0.031 0.000 0.968 653 D CA 1.011 55.030 54.000 0.032 0.000 0.899 653 D CB -0.232 40.578 40.800 0.015 0.000 0.907 653 D HN 0.555 nan 8.370 nan 0.000 0.514 654 D N -1.024 119.405 120.400 0.048 0.000 2.340 654 D HA 0.155 4.800 4.640 0.008 0.000 0.220 654 D C 1.748 178.063 176.300 0.025 0.000 1.039 654 D CA 0.548 54.573 54.000 0.043 0.000 0.866 654 D CB -0.196 40.645 40.800 0.070 0.000 0.913 654 D HN 0.300 nan 8.370 nan 0.000 0.523 655 G N -0.043 108.770 108.800 0.022 0.000 2.234 655 G HA2 -0.333 3.631 3.960 0.008 0.000 0.260 655 G HA3 -0.333 3.631 3.960 0.008 0.000 0.260 655 G C 0.311 175.176 174.900 -0.058 0.000 0.987 655 G CA 0.353 45.442 45.100 -0.019 0.000 0.625 655 G HN 0.478 nan 8.290 nan 0.000 0.532 656 K N 0.054 120.442 120.400 -0.021 0.000 2.154 656 K HA 0.642 4.967 4.320 0.008 0.000 0.264 656 K C 0.281 176.790 176.600 -0.152 0.000 1.008 656 K CA -0.473 55.729 56.287 -0.141 0.000 0.937 656 K CB 1.216 33.584 32.500 -0.221 0.000 1.002 656 K HN 0.237 nan 8.250 nan 0.000 0.469 657 I N 2.604 122.965 120.570 -0.348 0.000 2.359 657 I HA 0.259 4.434 4.170 0.008 0.000 0.294 657 I C -0.801 175.138 176.117 -0.297 0.000 0.987 657 I CA -0.687 60.443 61.300 -0.284 0.000 1.225 657 I CB 0.613 38.386 38.000 -0.378 0.000 1.366 657 I HN 0.438 nan 8.210 nan 0.000 0.466 658 Y N 2.832 123.112 120.300 -0.034 0.000 2.633 658 Y HA 0.602 5.157 4.550 0.008 0.000 0.339 658 Y C 0.238 176.210 175.900 0.121 0.000 1.045 658 Y CA -0.927 57.212 58.100 0.065 0.000 1.098 658 Y CB 2.146 40.679 38.460 0.123 0.000 1.296 658 Y HN 0.335 nan 8.280 nan 0.000 0.494 659 T N 2.464 117.226 114.554 0.346 0.000 2.971 659 T HA 0.713 5.068 4.350 0.008 0.000 0.304 659 T C -1.849 173.019 174.700 0.280 0.000 1.038 659 T CA -0.569 61.650 62.100 0.197 0.000 1.007 659 T CB 0.200 69.132 68.868 0.107 0.000 1.055 659 T HN 0.486 nan 8.240 nan 0.000 0.451 660 F N 2.345 122.357 119.950 0.104 0.000 2.631 660 F HA 0.842 5.373 4.527 0.007 0.000 0.308 660 F C -3.281 172.559 175.800 0.067 0.000 1.097 660 F CA -2.883 55.164 58.000 0.077 0.000 0.952 660 F CB 0.446 39.483 39.000 0.062 0.000 1.307 660 F HN 0.249 nan 8.300 nan 0.000 0.450 661 P HA 0.191 nan 4.420 nan 0.000 0.275 661 P C 0.578 177.979 177.300 0.168 0.000 1.227 661 P CA -0.329 62.832 63.100 0.103 0.000 0.781 661 P CB 1.245 33.009 31.700 0.108 0.000 0.906 662 L N 3.689 124.957 121.223 0.076 0.000 2.265 662 L HA -0.183 4.162 4.340 0.008 0.000 0.215 662 L C 1.902 178.847 176.870 0.124 0.000 1.117 662 L CA 1.776 56.684 54.840 0.113 0.000 0.782 662 L CB -0.883 41.205 42.059 0.050 0.000 0.914 662 L HN 0.435 nan 8.230 nan 0.000 0.441 663 E N -1.223 119.035 120.200 0.096 0.000 2.112 663 E HA -0.102 4.253 4.350 0.008 0.000 0.190 663 E C 0.147 176.795 176.600 0.081 0.000 0.979 663 E CA 0.695 57.140 56.400 0.074 0.000 0.814 663 E CB -0.087 29.646 29.700 0.055 0.000 0.762 663 E HN 0.174 nan 8.360 nan 0.000 0.460 664 K N 1.305 121.769 120.400 0.108 0.000 2.842 664 K HA 0.200 4.525 4.320 0.008 0.000 0.176 664 K C -2.204 174.473 176.600 0.128 0.000 1.080 664 K CA -2.003 54.339 56.287 0.091 0.000 0.954 664 K CB 1.579 34.121 32.500 0.070 0.000 1.203 664 K HN 0.036 nan 8.250 nan 0.000 0.611 665 P HA -0.182 nan 4.420 nan 0.000 0.229 665 P C 0.860 178.066 177.300 -0.157 0.000 1.150 665 P CA 0.998 64.112 63.100 0.023 0.000 0.765 665 P CB 0.493 32.127 31.700 -0.110 0.000 0.783 666 E N 0.236 120.402 120.200 -0.056 0.000 2.358 666 E HA -0.073 4.282 4.350 0.008 0.000 0.195 666 E C 0.095 176.686 176.600 -0.015 0.000 1.010 666 E CA 0.277 56.638 56.400 -0.065 0.000 0.856 666 E CB -0.059 29.619 29.700 -0.036 0.000 0.795 666 E HN 0.130 nan 8.360 nan 0.000 0.504 667 D N 2.493 122.920 120.400 0.045 0.000 2.943 667 D HA 0.027 4.671 4.640 0.008 0.000 0.249 667 D C -0.577 175.809 176.300 0.144 0.000 1.231 667 D CA 0.065 54.113 54.000 0.080 0.000 0.979 667 D CB 0.031 40.880 40.800 0.082 0.000 1.053 667 D HN 0.395 nan 8.370 nan 0.000 0.504 668 E N -0.140 120.144 120.200 0.139 0.000 2.283 668 E HA 0.625 4.980 4.350 0.008 0.000 0.271 668 E C -0.251 176.477 176.600 0.213 0.000 1.031 668 E CA -0.806 55.743 56.400 0.248 0.000 0.868 668 E CB 1.667 31.506 29.700 0.231 0.000 1.094 668 E HN -0.069 nan 8.360 nan 0.000 0.401 669 R N 0.540 121.177 120.500 0.228 0.000 2.854 669 R HA 0.402 4.747 4.340 0.008 0.000 0.271 669 R C -0.868 175.508 176.300 0.127 0.000 0.996 669 R CA -0.713 55.477 56.100 0.150 0.000 0.961 669 R CB 2.224 32.581 30.300 0.095 0.000 1.182 669 R HN 0.501 nan 8.270 nan 0.000 0.479 670 T N 1.314 115.861 114.554 -0.012 0.000 2.806 670 T HA 0.227 4.581 4.350 0.008 0.000 0.290 670 T C -0.169 174.415 174.700 -0.193 0.000 0.966 670 T CA -0.588 61.351 62.100 -0.268 0.000 1.060 670 T CB 0.973 69.646 68.868 -0.326 0.000 0.927 670 T HN 0.141 nan 8.240 nan 0.000 0.485 671 V N 4.778 124.553 119.914 -0.233 0.000 2.427 671 V HA 0.159 4.283 4.120 0.008 0.000 0.268 671 V C 0.497 176.467 176.094 -0.207 0.000 1.046 671 V CA -0.432 61.771 62.300 -0.161 0.000 0.970 671 V CB 0.295 32.036 31.823 -0.137 0.000 1.001 671 V HN 0.741 nan 8.190 nan 0.000 0.476 672 E N 3.469 123.576 120.200 -0.155 0.000 2.200 672 E HA 0.344 4.699 4.350 0.008 0.000 0.283 672 E C 0.854 177.346 176.600 -0.180 0.000 1.015 672 E CA 0.013 56.315 56.400 -0.163 0.000 0.819 672 E CB 1.833 31.464 29.700 -0.116 0.000 1.081 672 E HN 0.853 nan 8.360 nan 0.000 0.397 673 T N -1.855 112.558 114.554 -0.236 0.000 2.986 673 T HA 0.085 4.440 4.350 0.008 0.000 0.264 673 T C 0.303 174.888 174.700 -0.192 0.000 0.964 673 T CA -0.294 61.632 62.100 -0.291 0.000 0.895 673 T CB 0.181 68.681 68.868 -0.612 0.000 1.163 673 T HN 0.049 nan 8.240 nan 0.000 0.517 674 D N 1.575 121.881 120.400 -0.156 0.000 2.336 674 D HA 0.246 4.891 4.640 0.008 0.000 0.228 674 D C 1.486 177.735 176.300 -0.085 0.000 1.120 674 D CA 0.035 53.970 54.000 -0.109 0.000 0.839 674 D CB 0.301 41.042 40.800 -0.099 0.000 0.932 674 D HN 0.439 nan 8.370 nan 0.000 0.509 675 K N 0.138 120.486 120.400 -0.088 0.000 2.217 675 K HA 0.018 4.343 4.320 0.008 0.000 0.202 675 K C 1.041 177.604 176.600 -0.063 0.000 1.051 675 K CA 0.555 56.798 56.287 -0.074 0.000 0.952 675 K CB 0.519 32.972 32.500 -0.080 0.000 0.736 675 K HN -0.041 nan 8.250 nan 0.000 0.453 676 R N 1.213 121.672 120.500 -0.068 0.000 2.494 676 R HA 0.246 4.591 4.340 0.008 0.000 0.305 676 R C -2.705 173.561 176.300 -0.058 0.000 0.959 676 R CA -2.158 53.907 56.100 -0.058 0.000 0.864 676 R CB 1.553 31.817 30.300 -0.060 0.000 1.159 676 R HN -0.162 nan 8.270 nan 0.000 0.446 677 P HA 0.049 nan 4.420 nan 0.000 0.271 677 P C -1.062 176.235 177.300 -0.005 0.000 1.218 677 P CA -0.525 62.568 63.100 -0.011 0.000 0.780 677 P CB 0.565 32.265 31.700 0.000 0.000 0.901 678 L N 3.404 124.639 121.223 0.021 0.000 2.326 678 L HA 0.295 4.640 4.340 0.008 0.000 0.278 678 L C -0.618 176.280 176.870 0.048 0.000 1.092 678 L CA -0.098 54.775 54.840 0.054 0.000 0.810 678 L CB 1.063 43.179 42.059 0.094 0.000 1.153 678 L HN 0.082 nan 8.230 nan 0.000 0.439 679 V N 4.044 123.995 119.914 0.062 0.000 2.495 679 V HA 0.817 4.942 4.120 0.008 0.000 0.298 679 V C -0.198 175.894 176.094 -0.002 0.000 1.031 679 V CA -0.277 62.036 62.300 0.022 0.000 0.871 679 V CB 1.581 33.417 31.823 0.023 0.000 0.988 679 V HN 0.945 nan 8.190 nan 0.000 0.432 680 S N 2.563 118.241 115.700 -0.036 0.000 2.656 680 S HA 0.698 5.172 4.470 0.008 0.000 0.273 680 S C -0.731 173.819 174.600 -0.085 0.000 1.168 680 S CA -0.659 57.501 58.200 -0.068 0.000 0.817 680 S CB 1.993 65.136 63.200 -0.096 0.000 1.146 680 S HN 0.799 nan 8.310 nan 0.000 0.475 681 S N 0.828 116.459 115.700 -0.115 0.000 2.474 681 S HA 0.434 4.909 4.470 0.008 0.000 0.321 681 S C 1.222 175.698 174.600 -0.206 0.000 1.080 681 S CA -0.986 57.138 58.200 -0.127 0.000 1.106 681 S CB -0.173 62.949 63.200 -0.131 0.000 0.984 681 S HN 0.598 nan 8.310 nan 0.000 0.464 682 I N 5.209 125.638 120.570 -0.236 0.000 2.087 682 I HA -0.230 3.945 4.170 0.008 0.000 0.240 682 I C 2.628 178.441 176.117 -0.506 0.000 1.054 682 I CA 2.114 63.133 61.300 -0.468 0.000 1.311 682 I CB -1.644 36.039 38.000 -0.529 0.000 1.024 682 I HN 0.925 nan 8.210 nan 0.000 0.402 683 H N 2.061 120.941 119.070 -0.317 0.000 2.423 683 H HA -0.162 4.399 4.556 0.008 0.000 0.297 683 H C 1.861 177.163 175.328 -0.044 0.000 1.075 683 H CA 1.681 57.635 56.048 -0.157 0.000 1.342 683 H CB -0.315 29.394 29.762 -0.089 0.000 1.395 683 H HN 0.639 nan 8.280 nan 0.000 0.530 684 E N 1.075 120.804 120.200 -0.785 0.000 2.107 684 E HA -0.140 4.215 4.350 0.008 0.000 0.191 684 E C 1.904 178.391 176.600 -0.189 0.000 0.982 684 E CA 0.997 57.069 56.400 -0.546 0.000 0.809 684 E CB -0.169 29.270 29.700 -0.436 0.000 0.756 684 E HN 0.608 nan 8.360 nan 0.000 0.459 685 E N -0.020 120.098 120.200 -0.137 0.000 2.047 685 E HA -0.112 4.242 4.350 0.008 0.000 0.191 685 E C 1.819 178.528 176.600 0.182 0.000 0.987 685 E CA 0.828 57.226 56.400 -0.004 0.000 0.799 685 E CB -0.166 29.513 29.700 -0.035 0.000 0.752 685 E HN 0.225 nan 8.360 nan 0.000 0.449 686 F N 1.178 121.101 119.950 -0.044 0.000 2.091 686 F HA -0.198 4.334 4.527 0.008 0.000 0.299 686 F C 2.215 178.050 175.800 0.058 0.000 1.103 686 F CA 1.040 59.044 58.000 0.006 0.000 1.228 686 F CB -0.850 38.157 39.000 0.011 0.000 0.984 686 F HN 0.022 nan 8.300 nan 0.000 0.477 687 L N -0.682 120.681 121.223 0.233 0.000 2.017 687 L HA -0.225 4.119 4.340 0.008 0.000 0.208 687 L C 2.678 179.661 176.870 0.188 0.000 1.073 687 L CA 1.368 56.321 54.840 0.187 0.000 0.745 687 L CB -0.676 41.456 42.059 0.123 0.000 0.894 687 L HN 0.169 nan 8.230 nan 0.000 0.432 688 Q N 0.313 120.184 119.800 0.119 0.000 2.030 688 Q HA -0.248 4.097 4.340 0.008 0.000 0.204 688 Q C 2.220 178.281 176.000 0.102 0.000 0.986 688 Q CA 2.052 57.908 55.803 0.088 0.000 0.843 688 Q CB -0.184 28.573 28.738 0.032 0.000 0.904 688 Q HN 0.490 nan 8.270 nan 0.000 0.420 689 M N -0.782 118.883 119.600 0.110 0.000 2.117 689 M HA -0.200 4.285 4.480 0.008 0.000 0.262 689 M C 2.111 178.469 176.300 0.096 0.000 1.065 689 M CA 1.699 57.048 55.300 0.082 0.000 1.114 689 M CB -0.571 32.066 32.600 0.062 0.000 1.361 689 M HN 0.226 nan 8.290 nan 0.000 0.408 690 Y N 1.474 121.802 120.300 0.048 0.000 2.145 690 Y HA -0.278 4.277 4.550 0.008 0.000 0.286 690 Y C 1.905 177.905 175.900 0.166 0.000 1.145 690 Y CA 1.882 60.022 58.100 0.066 0.000 1.148 690 Y CB -0.414 38.059 38.460 0.022 0.000 0.981 690 Y HN 0.201 nan 8.280 nan 0.000 0.507 691 D N 0.208 120.659 120.400 0.085 0.000 2.149 691 D HA -0.197 4.448 4.640 0.008 0.000 0.198 691 D C 2.068 178.453 176.300 0.142 0.000 0.990 691 D CA 1.689 55.760 54.000 0.118 0.000 0.839 691 D CB -0.282 40.648 40.800 0.216 0.000 0.948 691 D HN 0.618 nan 8.370 nan 0.000 0.460 692 E N 0.086 120.334 120.200 0.080 0.000 2.072 692 E HA -0.117 4.238 4.350 0.008 0.000 0.191 692 E C 2.003 178.620 176.600 0.029 0.000 0.985 692 E CA 0.954 57.389 56.400 0.059 0.000 0.801 692 E CB 0.029 29.746 29.700 0.028 0.000 0.750 692 E HN 0.179 nan 8.360 nan 0.000 0.452 693 A N 0.542 123.357 122.820 -0.007 0.000 1.877 693 A HA -0.210 4.115 4.320 0.008 0.000 0.216 693 A C 1.922 179.480 177.584 -0.044 0.000 1.186 693 A CA 1.514 53.531 52.037 -0.034 0.000 0.620 693 A CB -1.254 17.723 19.000 -0.039 0.000 0.822 693 A HN 0.681 nan 8.150 nan 0.000 0.443 694 W N 0.760 121.894 121.300 -0.277 0.000 2.363 694 W HA -0.156 4.509 4.660 0.008 0.000 0.296 694 W C 2.148 178.631 176.519 -0.060 0.000 1.212 694 W CA 2.040 59.267 57.345 -0.197 0.000 1.260 694 W CB 0.054 29.320 29.460 -0.323 0.000 1.131 694 W HN 0.279 nan 8.180 nan 0.000 0.530 695 K N 0.046 120.497 120.400 0.086 0.000 2.155 695 K HA -0.140 4.185 4.320 0.008 0.000 0.203 695 K C 1.976 178.460 176.600 -0.194 0.000 1.052 695 K CA 1.385 57.616 56.287 -0.093 0.000 0.948 695 K CB -0.376 32.204 32.500 0.133 0.000 0.728 695 K HN 0.279 nan 8.250 nan 0.000 0.448 696 L N 0.471 121.617 121.223 -0.128 0.000 2.044 696 L HA -0.097 4.248 4.340 0.008 0.000 0.205 696 L C 2.596 179.334 176.870 -0.220 0.000 1.075 696 L CA 1.151 55.917 54.840 -0.123 0.000 0.747 696 L CB -0.498 41.522 42.059 -0.065 0.000 0.903 696 L HN 0.212 nan 8.230 nan 0.000 0.435 697 A N -0.064 122.579 122.820 -0.295 0.000 1.948 697 A HA -0.277 4.048 4.320 0.008 0.000 0.220 697 A C 2.448 179.710 177.584 -0.536 0.000 1.177 697 A CA 2.047 53.796 52.037 -0.481 0.000 0.636 697 A CB -0.598 18.113 19.000 -0.482 0.000 0.815 697 A HN 0.366 nan 8.150 nan 0.000 0.449 698 R N -0.775 119.454 120.500 -0.453 0.000 2.062 698 R HA -0.101 4.243 4.340 0.008 0.000 0.226 698 R C 1.274 177.434 176.300 -0.233 0.000 1.125 698 R CA 1.444 57.332 56.100 -0.354 0.000 0.966 698 R CB -0.255 29.687 30.300 -0.597 0.000 0.861 698 R HN 0.413 nan 8.270 nan 0.000 0.433 699 D N 0.424 120.688 120.400 -0.226 0.000 2.178 699 D HA -0.102 4.543 4.640 0.008 0.000 0.202 699 D C 0.976 177.184 176.300 -0.154 0.000 0.974 699 D CA 1.014 54.918 54.000 -0.159 0.000 0.841 699 D CB -0.128 40.604 40.800 -0.113 0.000 0.953 699 D HN 0.246 nan 8.370 nan 0.000 0.478 700 N N -0.627 117.975 118.700 -0.165 0.000 2.254 700 N HA -0.064 4.680 4.740 0.008 0.000 0.190 700 N C 0.100 175.492 175.510 -0.195 0.000 1.107 700 N CA -0.215 52.727 53.050 -0.180 0.000 0.869 700 N CB -0.002 38.391 38.487 -0.156 0.000 0.983 700 N HN 0.187 nan 8.380 nan 0.000 0.487 701 Y N 2.921 123.045 120.300 -0.292 0.000 2.810 701 Y HA -0.155 4.400 4.550 0.008 0.000 0.332 701 Y C 1.735 177.509 175.900 -0.209 0.000 1.243 701 Y CA -0.605 57.346 58.100 -0.249 0.000 1.537 701 Y CB 0.389 38.693 38.460 -0.260 0.000 1.265 701 Y HN 0.213 nan 8.280 nan 0.000 0.572 702 W N 4.767 125.515 121.300 -0.921 0.000 2.331 702 W HA -0.237 4.428 4.660 0.008 0.000 0.291 702 W C -0.647 175.566 176.519 -0.509 0.000 1.214 702 W CA 1.100 58.030 57.345 -0.692 0.000 1.228 702 W CB -0.605 28.451 29.460 -0.673 0.000 1.135 702 W HN 0.623 nan 8.180 nan 0.000 0.537 703 N N 1.508 119.265 118.700 -1.572 0.000 2.469 703 N HA 0.047 4.792 4.740 0.008 0.000 0.253 703 N C 0.934 176.191 175.510 -0.422 0.000 0.970 703 N CA -0.116 52.226 53.050 -1.180 0.000 0.940 703 N CB 1.269 38.768 38.487 -1.647 0.000 1.128 703 N HN 0.057 nan 8.380 nan 0.000 0.503 704 E N 3.381 123.388 120.200 -0.321 0.000 2.051 704 E HA -0.228 4.127 4.350 0.008 0.000 0.192 704 E C 1.647 178.162 176.600 -0.142 0.000 0.991 704 E CA 1.425 57.714 56.400 -0.185 0.000 0.799 704 E CB 0.023 29.619 29.700 -0.173 0.000 0.748 704 E HN 0.772 nan 8.360 nan 0.000 0.449 705 A N 0.560 123.281 122.820 -0.164 0.000 1.865 705 A HA -0.189 4.136 4.320 0.008 0.000 0.217 705 A C 2.447 179.968 177.584 -0.105 0.000 1.191 705 A CA 1.807 53.772 52.037 -0.120 0.000 0.623 705 A CB -0.975 17.953 19.000 -0.120 0.000 0.826 705 A HN 0.234 nan 8.150 nan 0.000 0.444 706 V N -0.020 119.820 119.914 -0.123 0.000 2.324 706 V HA -0.303 3.822 4.120 0.008 0.000 0.250 706 V C 3.045 179.072 176.094 -0.110 0.000 1.060 706 V CA 2.092 64.334 62.300 -0.098 0.000 1.042 706 V CB -1.343 30.451 31.823 -0.048 0.000 0.650 706 V HN 0.648 nan 8.190 nan 0.000 0.450 707 A N -0.431 122.366 122.820 -0.038 0.000 1.978 707 A HA -0.288 4.037 4.320 0.008 0.000 0.220 707 A C 2.345 179.888 177.584 -0.069 0.000 1.170 707 A CA 2.232 54.261 52.037 -0.013 0.000 0.636 707 A CB -0.481 18.546 19.000 0.044 0.000 0.810 707 A HN 0.579 nan 8.150 nan 0.000 0.448 708 K N -0.562 119.797 120.400 -0.068 0.000 2.025 708 K HA -0.174 4.151 4.320 0.008 0.000 0.207 708 K C 2.163 178.745 176.600 -0.030 0.000 1.049 708 K CA 1.480 57.739 56.287 -0.047 0.000 0.933 708 K CB -0.162 32.312 32.500 -0.044 0.000 0.714 708 K HN 0.471 nan 8.250 nan 0.000 0.438 709 E N 0.906 121.076 120.200 -0.050 0.000 2.028 709 E HA -0.151 4.204 4.350 0.008 0.000 0.190 709 E C 2.093 178.661 176.600 -0.054 0.000 0.984 709 E CA 0.944 57.322 56.400 -0.037 0.000 0.800 709 E CB -0.009 29.665 29.700 -0.043 0.000 0.758 709 E HN 0.264 nan 8.360 nan 0.000 0.448 710 I N 1.885 122.363 120.570 -0.154 0.000 2.151 710 I HA -0.310 3.865 4.170 0.008 0.000 0.243 710 I C 2.788 178.805 176.117 -0.168 0.000 1.080 710 I CA 1.723 62.855 61.300 -0.279 0.000 1.339 710 I CB -1.803 35.776 38.000 -0.702 0.000 1.039 710 I HN 0.152 nan 8.210 nan 0.000 0.409 711 S N 1.075 116.710 115.700 -0.108 0.000 2.353 711 S HA -0.225 4.250 4.470 0.008 0.000 0.222 711 S C 1.809 176.701 174.600 0.485 0.000 1.035 711 S CA 1.416 59.680 58.200 0.107 0.000 1.025 711 S CB -0.805 62.302 63.200 -0.156 0.000 0.902 711 S HN 0.531 nan 8.310 nan 0.000 0.440 712 E N 0.884 121.270 120.200 0.310 0.000 2.204 712 E HA -0.086 4.269 4.350 0.008 0.000 0.195 712 E C 2.300 179.042 176.600 0.237 0.000 0.990 712 E CA 0.780 57.356 56.400 0.294 0.000 0.821 712 E CB -0.173 29.623 29.700 0.160 0.000 0.750 712 E HN 0.541 nan 8.360 nan 0.000 0.477 713 R N 1.229 121.835 120.500 0.177 0.000 2.299 713 R HA -0.003 4.342 4.340 0.008 0.000 0.197 713 R C 1.905 178.313 176.300 0.180 0.000 0.971 713 R CA 0.502 56.681 56.100 0.133 0.000 1.030 713 R CB 0.114 30.456 30.300 0.069 0.000 0.932 713 R HN 0.306 nan 8.270 nan 0.000 0.477 714 I N -4.381 116.369 120.570 0.299 0.000 4.403 714 I HA 0.118 4.293 4.170 0.008 0.000 0.331 714 I C 1.468 177.868 176.117 0.473 0.000 1.327 714 I CA -0.464 61.067 61.300 0.385 0.000 1.175 714 I CB -0.318 37.944 38.000 0.436 0.000 1.165 714 I HN -0.099 nan 8.210 nan 0.000 0.413 715 Y N 2.957 123.447 120.300 0.317 0.000 1.979 715 Y HA -0.357 4.198 4.550 0.008 0.000 0.262 715 Y C 2.759 178.693 175.900 0.057 0.000 1.142 715 Y CA 2.768 60.873 58.100 0.009 0.000 1.096 715 Y CB -0.146 38.097 38.460 -0.361 0.000 0.958 715 Y HN 0.312 nan 8.280 nan 0.000 0.484 716 E N 0.594 120.780 120.200 -0.024 0.000 2.070 716 E HA -0.336 4.019 4.350 0.008 0.000 0.197 716 E C 2.353 178.882 176.600 -0.119 0.000 1.004 716 E CA 1.778 58.110 56.400 -0.112 0.000 0.805 716 E CB -0.383 29.338 29.700 0.035 0.000 0.744 716 E HN 0.530 nan 8.360 nan 0.000 0.451 717 K N -0.332 120.031 120.400 -0.062 0.000 2.059 717 K HA -0.224 4.101 4.320 0.008 0.000 0.212 717 K C 1.867 178.372 176.600 -0.159 0.000 1.050 717 K CA 1.964 58.160 56.287 -0.151 0.000 0.927 717 K CB -0.319 32.017 32.500 -0.273 0.000 0.714 717 K HN 0.278 nan 8.250 nan 0.000 0.447 718 Y N -0.099 120.229 120.300 0.047 0.000 2.490 718 Y HA 0.084 4.639 4.550 0.008 0.000 0.285 718 Y C 2.489 178.112 175.900 -0.460 0.000 1.117 718 Y CA 0.479 58.564 58.100 -0.026 0.000 1.262 718 Y CB 0.135 38.694 38.460 0.164 0.000 1.043 718 Y HN 0.078 nan 8.280 nan 0.000 0.553 719 R N 0.681 120.877 120.500 -0.508 0.000 2.115 719 R HA -0.134 4.211 4.340 0.008 0.000 0.230 719 R C 1.386 177.441 176.300 -0.409 0.000 1.111 719 R CA 1.290 56.916 56.100 -0.790 0.000 0.976 719 R CB -0.056 29.813 30.300 -0.718 0.000 0.870 719 R HN 0.286 nan 8.270 nan 0.000 0.445 720 N N 0.625 119.180 118.700 -0.240 0.000 2.443 720 N HA -0.128 4.616 4.740 0.008 0.000 0.184 720 N C 1.449 176.880 175.510 -0.132 0.000 1.037 720 N CA 0.913 53.880 53.050 -0.137 0.000 0.896 720 N CB 0.030 38.481 38.487 -0.059 0.000 0.959 720 N HN 0.338 nan 8.380 nan 0.000 0.442 721 L N -0.365 120.758 121.223 -0.166 0.000 2.416 721 L HA 0.076 4.421 4.340 0.008 0.000 0.216 721 L C 1.989 178.781 176.870 -0.131 0.000 1.098 721 L CA 0.102 54.852 54.840 -0.150 0.000 0.840 721 L CB -0.124 41.844 42.059 -0.150 0.000 0.981 721 L HN -0.114 nan 8.230 nan 0.000 0.462 722 V N 1.228 121.029 119.914 -0.189 0.000 2.282 722 V HA -0.187 3.938 4.120 0.008 0.000 0.249 722 V C -0.093 176.012 176.094 0.018 0.000 1.057 722 V CA 2.164 64.394 62.300 -0.115 0.000 1.032 722 V CB -1.717 29.992 31.823 -0.190 0.000 0.645 722 V HN 0.395 nan 8.190 nan 0.000 0.447 723 P HA -0.110 nan 4.420 nan 0.000 0.225 723 P C 1.528 178.837 177.300 0.014 0.000 1.148 723 P CA 1.285 64.397 63.100 0.020 0.000 0.779 723 P CB -0.057 31.631 31.700 -0.020 0.000 0.780 724 L N -1.417 119.802 121.223 -0.007 0.000 2.509 724 L HA 0.081 4.426 4.340 0.008 0.000 0.222 724 L C 1.160 178.051 176.870 0.034 0.000 1.123 724 L CA 0.003 54.834 54.840 -0.015 0.000 0.856 724 L CB -0.649 41.375 42.059 -0.058 0.000 0.985 724 L HN -0.086 nan 8.230 nan 0.000 0.456 725 C N 0.800 120.159 119.300 0.098 0.000 2.527 725 C HA 0.184 4.649 4.460 0.008 0.000 0.396 725 C C 1.463 176.654 174.990 0.335 0.000 1.289 725 C CA -0.349 58.787 59.018 0.197 0.000 2.047 725 C CB 0.816 28.650 27.740 0.156 0.000 2.568 725 C HN 0.326 nan 8.230 nan 0.000 0.573 726 K N 0.189 120.768 120.400 0.299 0.000 2.450 726 K HA 0.128 4.453 4.320 0.008 0.000 0.206 726 K C 0.784 177.543 176.600 0.266 0.000 1.148 726 K CA 0.314 56.721 56.287 0.201 0.000 1.014 726 K CB 0.502 33.066 32.500 0.106 0.000 0.966 726 K HN 0.888 nan 8.250 nan 0.000 0.566 727 T N -2.850 111.940 114.554 0.394 0.000 2.930 727 T HA 0.400 4.755 4.350 0.008 0.000 0.290 727 T C 0.782 175.731 174.700 0.415 0.000 1.052 727 T CA -0.863 61.463 62.100 0.375 0.000 1.017 727 T CB 2.192 71.228 68.868 0.281 0.000 1.137 727 T HN -0.157 nan 8.240 nan 0.000 0.511 728 R N -0.042 120.632 120.500 0.289 0.000 2.091 728 R HA -0.098 4.247 4.340 0.008 0.000 0.238 728 R C 1.905 178.206 176.300 0.002 0.000 1.136 728 R CA 1.697 57.759 56.100 -0.064 0.000 0.959 728 R CB -1.551 28.497 30.300 -0.420 0.000 0.856 728 R HN 0.785 nan 8.270 nan 0.000 0.437 729 Y N 1.314 121.753 120.300 0.232 0.000 2.207 729 Y HA -0.205 4.350 4.550 0.008 0.000 0.287 729 Y C 1.500 177.496 175.900 0.160 0.000 1.156 729 Y CA 2.046 60.363 58.100 0.361 0.000 1.182 729 Y CB -0.349 38.289 38.460 0.296 0.000 0.979 729 Y HN 0.173 nan 8.280 nan 0.000 0.521 730 D N 0.145 120.573 120.400 0.047 0.000 2.092 730 D HA -0.236 4.409 4.640 0.008 0.000 0.193 730 D C 2.455 178.642 176.300 -0.188 0.000 0.994 730 D CA 1.452 55.407 54.000 -0.076 0.000 0.828 730 D CB -0.653 40.178 40.800 0.053 0.000 0.963 730 D HN 0.391 nan 8.370 nan 0.000 0.450 731 L N 0.565 121.593 121.223 -0.326 0.000 2.079 731 L HA -0.205 4.140 4.340 0.008 0.000 0.210 731 L C 2.438 179.185 176.870 -0.205 0.000 1.081 731 L CA 1.119 55.697 54.840 -0.437 0.000 0.752 731 L CB -0.239 41.271 42.059 -0.915 0.000 0.896 731 L HN 0.016 nan 8.230 nan 0.000 0.433 732 S N 0.064 115.692 115.700 -0.120 0.000 2.359 732 S HA -0.230 4.245 4.470 0.008 0.000 0.224 732 S C 1.580 176.135 174.600 -0.075 0.000 1.035 732 S CA 2.057 60.259 58.200 0.004 0.000 1.018 732 S CB -0.228 63.104 63.200 0.220 0.000 0.876 732 S HN 0.527 nan 8.310 nan 0.000 0.448 733 N N 0.344 118.925 118.700 -0.198 0.000 2.104 733 N HA -0.082 4.663 4.740 0.008 0.000 0.190 733 N C 1.650 177.127 175.510 -0.056 0.000 1.024 733 N CA 1.610 54.563 53.050 -0.161 0.000 0.853 733 N CB -0.360 37.994 38.487 -0.221 0.000 1.008 733 N HN 0.250 nan 8.380 nan 0.000 0.424 734 V N 0.869 120.751 119.914 -0.053 0.000 2.270 734 V HA -0.168 3.957 4.120 0.008 0.000 0.245 734 V C 2.074 178.185 176.094 0.028 0.000 1.043 734 V CA 1.376 63.690 62.300 0.022 0.000 1.014 734 V CB -0.535 31.282 31.823 -0.011 0.000 0.645 734 V HN 0.284 nan 8.190 nan 0.000 0.447 735 I N -0.070 120.530 120.570 0.050 0.000 2.194 735 I HA -0.244 3.931 4.170 0.008 0.000 0.246 735 I C 2.374 178.493 176.117 0.004 0.000 1.093 735 I CA 1.393 62.738 61.300 0.076 0.000 1.355 735 I CB -0.404 37.637 38.000 0.068 0.000 1.046 735 I HN 0.150 nan 8.210 nan 0.000 0.413 736 V N 0.342 120.261 119.914 0.008 0.000 2.343 736 V HA -0.227 3.897 4.120 0.008 0.000 0.247 736 V C 2.464 178.550 176.094 -0.013 0.000 1.051 736 V CA 1.655 63.976 62.300 0.035 0.000 1.036 736 V CB -0.618 31.251 31.823 0.077 0.000 0.654 736 V HN 0.400 nan 8.190 nan 0.000 0.451 737 E N 0.247 120.395 120.200 -0.087 0.000 2.110 737 E HA -0.262 4.093 4.350 0.008 0.000 0.193 737 E C 2.183 178.464 176.600 -0.532 0.000 0.988 737 E CA 1.923 58.210 56.400 -0.188 0.000 0.804 737 E CB -0.342 29.340 29.700 -0.030 0.000 0.745 737 E HN 0.749 nan 8.360 nan 0.000 0.458 738 M N 0.218 119.373 119.600 -0.743 0.000 2.319 738 M HA -0.075 4.410 4.480 0.008 0.000 0.265 738 M C 1.719 177.955 176.300 -0.107 0.000 1.068 738 M CA 1.523 56.418 55.300 -0.675 0.000 1.118 738 M CB -0.183 32.223 32.600 -0.322 0.000 1.395 738 M HN -0.120 nan 8.290 nan 0.000 0.435 739 Q N 0.556 120.340 119.800 -0.026 0.000 2.167 739 Q HA 0.036 4.381 4.340 0.008 0.000 0.202 739 Q C 2.195 178.282 176.000 0.145 0.000 0.970 739 Q CA 1.272 57.132 55.803 0.095 0.000 0.855 739 Q CB -0.576 28.195 28.738 0.055 0.000 0.911 739 Q HN 0.797 nan 8.270 nan 0.000 0.438 740 G N 1.268 110.105 108.800 0.061 0.000 2.448 740 G HA2 -0.242 3.722 3.960 0.008 0.000 0.219 740 G HA3 -0.242 3.722 3.960 0.008 0.000 0.219 740 G C 1.150 176.080 174.900 0.051 0.000 1.127 740 G CA 0.424 45.561 45.100 0.061 0.000 0.766 740 G HN 0.202 nan 8.290 nan 0.000 0.552 741 E N 0.110 120.314 120.200 0.007 0.000 2.331 741 E HA -0.119 4.236 4.350 0.008 0.000 0.199 741 E C 1.452 177.950 176.600 -0.170 0.000 1.008 741 E CA 0.588 56.957 56.400 -0.052 0.000 0.843 741 E CB -0.252 29.407 29.700 -0.068 0.000 0.761 741 E HN 0.689 nan 8.360 nan 0.000 0.507 742 Y N 0.285 120.538 120.300 -0.079 0.000 2.511 742 Y HA 0.125 4.680 4.550 0.008 0.000 0.279 742 Y C 0.688 176.576 175.900 -0.019 0.000 1.157 742 Y CA 0.032 58.027 58.100 -0.176 0.000 1.300 742 Y CB 0.065 38.337 38.460 -0.313 0.000 1.052 742 Y HN -0.111 nan 8.280 nan 0.000 0.529 743 R N 0.370 120.988 120.500 0.196 0.000 3.484 743 R HA -0.176 4.168 4.340 0.008 0.000 0.260 743 R C -0.613 175.894 176.300 0.345 0.000 1.053 743 R CA 1.005 57.324 56.100 0.364 0.000 0.703 743 R CB -2.478 28.003 30.300 0.302 0.000 1.089 743 R HN 0.123 nan 8.270 nan 0.000 0.459 744 T N -1.195 113.326 114.554 -0.055 0.000 2.916 744 T HA 0.454 4.809 4.350 0.008 0.000 0.292 744 T C 0.407 174.395 174.700 -1.186 0.000 1.064 744 T CA -0.386 61.520 62.100 -0.325 0.000 1.011 744 T CB 1.921 70.872 68.868 0.139 0.000 1.152 744 T HN 0.234 nan 8.240 nan 0.000 0.510 745 S N 0.107 114.971 115.700 -1.393 0.000 2.626 745 S HA 0.256 4.731 4.470 0.008 0.000 0.257 745 S C 0.013 174.319 174.600 -0.489 0.000 1.288 745 S CA -0.175 57.184 58.200 -1.402 0.000 0.980 745 S CB -0.411 62.115 63.200 -1.123 0.000 0.975 745 S HN 0.911 nan 8.310 nan 0.000 0.577 746 H N -1.403 117.412 119.070 -0.424 0.000 2.741 746 H HA -0.114 4.447 4.556 0.008 0.000 0.305 746 H C -0.517 174.230 175.328 -0.968 0.000 1.169 746 H CA 0.872 56.418 56.048 -0.837 0.000 1.144 746 H CB -2.266 27.272 29.762 -0.374 0.000 1.397 746 H HN 0.452 nan 8.280 nan 0.000 0.409 747 S N 0.930 116.240 115.700 -0.651 0.000 2.567 747 S HA 0.372 4.847 4.470 0.008 0.000 0.262 747 S C -0.194 174.321 174.600 -0.141 0.000 1.237 747 S CA -0.656 57.364 58.200 -0.300 0.000 1.093 747 S CB 0.178 63.324 63.200 -0.090 0.000 1.095 747 S HN 0.339 nan 8.310 nan 0.000 0.489 748 Y N 0.984 121.281 120.300 -0.004 0.000 2.631 748 Y HA 0.592 5.147 4.550 0.008 0.000 0.328 748 Y C 0.619 176.502 175.900 -0.028 0.000 1.118 748 Y CA -1.272 56.796 58.100 -0.052 0.000 1.206 748 Y CB 1.081 39.503 38.460 -0.063 0.000 1.337 748 Y HN 0.294 nan 8.280 nan 0.000 0.515 749 E N 2.239 122.534 120.200 0.158 0.000 2.316 749 E HA 0.367 4.722 4.350 0.008 0.000 0.254 749 E C -1.761 174.888 176.600 0.082 0.000 0.902 749 E CA -0.387 56.079 56.400 0.111 0.000 0.801 749 E CB 0.980 30.745 29.700 0.108 0.000 1.270 749 E HN 0.649 nan 8.360 nan 0.000 0.414 750 M N 2.082 121.736 119.600 0.090 0.000 2.664 750 M HA 0.629 5.114 4.480 0.008 0.000 0.314 750 M C 0.569 176.934 176.300 0.108 0.000 1.200 750 M CA -0.276 55.058 55.300 0.058 0.000 0.916 750 M CB 1.913 34.531 32.600 0.030 0.000 1.717 750 M HN 0.721 nan 8.290 nan 0.000 0.470 751 G N 0.685 109.545 108.800 0.100 0.000 2.692 751 G HA2 0.246 4.210 3.960 0.008 0.000 0.248 751 G HA3 0.246 4.210 3.960 0.008 0.000 0.248 751 G C 0.004 175.081 174.900 0.295 0.000 1.340 751 G CA -0.146 45.044 45.100 0.150 0.000 0.896 751 G HN 1.794 nan 8.290 nan 0.000 0.570 752 G N -3.700 105.256 108.800 0.261 0.000 2.612 752 G HA2 0.490 4.455 3.960 0.008 0.000 0.686 752 G HA3 0.490 4.455 3.960 0.008 0.000 0.686 752 G C -0.391 174.691 174.900 0.305 0.000 1.274 752 G CA 0.370 45.626 45.100 0.259 0.000 0.849 752 G HN 2.121 nan 8.290 nan 0.000 0.595 753 T N 1.323 115.962 114.554 0.142 0.000 2.842 753 T HA 0.582 4.937 4.350 0.008 0.000 0.308 753 T C 0.577 175.301 174.700 0.040 0.000 1.041 753 T CA -0.169 62.052 62.100 0.201 0.000 0.964 753 T CB 0.800 69.833 68.868 0.275 0.000 0.972 753 T HN 0.446 nan 8.240 nan 0.000 0.460 754 F N 1.069 121.084 119.950 0.109 0.000 2.694 754 F HA 0.312 4.844 4.527 0.008 0.000 0.292 754 F C 1.577 177.425 175.800 0.080 0.000 1.121 754 F CA -0.272 57.795 58.000 0.110 0.000 1.352 754 F CB 0.885 39.946 39.000 0.102 0.000 1.107 754 F HN 0.446 nan 8.300 nan 0.000 0.597 755 T N -0.960 113.736 114.554 0.236 0.000 2.792 755 T HA 0.197 4.551 4.350 0.008 0.000 0.303 755 T C -1.064 173.685 174.700 0.081 0.000 1.310 755 T CA -0.603 61.569 62.100 0.121 0.000 1.007 755 T CB 1.500 70.408 68.868 0.066 0.000 1.335 755 T HN 0.168 nan 8.240 nan 0.000 0.504 756 D N 0.627 121.051 120.400 0.040 0.000 2.479 756 D HA 0.170 4.815 4.640 0.008 0.000 0.218 756 D C -0.070 176.220 176.300 -0.016 0.000 1.177 756 D CA -0.392 53.621 54.000 0.022 0.000 0.830 756 D CB 0.336 41.152 40.800 0.027 0.000 1.014 756 D HN 0.206 nan 8.370 nan 0.000 0.503 757 K N 1.520 121.895 120.400 -0.042 0.000 2.249 757 K HA 0.145 4.470 4.320 0.008 0.000 0.280 757 K C -0.130 176.398 176.600 -0.120 0.000 1.033 757 K CA -0.492 55.737 56.287 -0.097 0.000 0.946 757 K CB 1.181 33.592 32.500 -0.148 0.000 1.005 757 K HN 0.050 nan 8.250 nan 0.000 0.469 758 D N 4.444 124.769 120.400 -0.126 0.000 2.455 758 D HA 0.065 4.710 4.640 0.008 0.000 0.241 758 D C -1.985 174.197 176.300 -0.196 0.000 1.138 758 D CA -1.127 52.801 54.000 -0.119 0.000 0.877 758 D CB 0.337 41.085 40.800 -0.087 0.000 1.187 758 D HN 0.231 nan 8.370 nan 0.000 0.451 759 P HA -0.029 nan 4.420 nan 0.000 0.268 759 P C -0.074 177.148 177.300 -0.129 0.000 1.208 759 P CA -0.140 62.877 63.100 -0.137 0.000 0.777 759 P CB 0.378 32.056 31.700 -0.036 0.000 0.875 760 F N 1.866 121.815 119.950 -0.002 0.000 2.553 760 F HA 0.125 4.657 4.527 0.008 0.000 0.356 760 F C 1.801 177.608 175.800 0.012 0.000 1.142 760 F CA 0.739 58.739 58.000 -0.001 0.000 1.322 760 F CB 0.242 39.230 39.000 -0.020 0.000 1.126 760 F HN 0.082 nan 8.300 nan 0.000 0.599 761 R N 1.040 121.694 120.500 0.257 0.000 2.778 761 R HA 0.611 4.956 4.340 0.008 0.000 0.277 761 R C -0.934 175.471 176.300 0.174 0.000 0.977 761 R CA -0.905 55.294 56.100 0.165 0.000 0.950 761 R CB 2.006 32.382 30.300 0.126 0.000 1.165 761 R HN 0.578 nan 8.270 nan 0.000 0.474 762 S N -0.233 115.550 115.700 0.137 0.000 2.547 762 S HA 0.593 5.068 4.470 0.008 0.000 0.281 762 S C -0.727 173.946 174.600 0.120 0.000 1.118 762 S CA -0.598 57.691 58.200 0.148 0.000 0.947 762 S CB 1.700 64.981 63.200 0.135 0.000 1.053 762 S HN 0.744 nan 8.310 nan 0.000 0.482 763 G N 3.338 112.214 108.800 0.127 0.000 2.329 763 G HA2 0.614 4.578 3.960 0.008 0.000 0.309 763 G HA3 0.614 4.578 3.960 0.008 0.000 0.309 763 G C -0.766 174.203 174.900 0.116 0.000 1.110 763 G CA -0.544 44.610 45.100 0.090 0.000 0.923 763 G HN 0.654 nan 8.290 nan 0.000 0.430 764 R N 1.202 121.758 120.500 0.093 0.000 2.686 764 R HA 0.512 4.857 4.340 0.008 0.000 0.286 764 R C 0.460 176.814 176.300 0.091 0.000 0.969 764 R CA -0.761 55.399 56.100 0.101 0.000 0.898 764 R CB 2.118 32.451 30.300 0.055 0.000 1.183 764 R HN 0.603 nan 8.270 nan 0.000 0.456 765 I N -1.054 119.584 120.570 0.114 0.000 3.621 765 I HA 0.484 4.659 4.170 0.008 0.000 0.325 765 I C 0.077 176.245 176.117 0.085 0.000 1.554 765 I CA -0.507 60.855 61.300 0.102 0.000 1.053 765 I CB 1.434 39.508 38.000 0.124 0.000 1.302 765 I HN 0.652 nan 8.210 nan 0.000 0.518 766 A N 0.298 123.145 122.820 0.045 0.000 2.560 766 A HA -0.192 4.133 4.320 0.008 0.000 0.299 766 A C 0.119 177.778 177.584 0.126 0.000 1.484 766 A CA 0.935 52.992 52.037 0.034 0.000 0.749 766 A CB -2.483 16.569 19.000 0.087 0.000 1.072 766 A HN 0.690 nan 8.150 nan 0.000 0.426 767 C N 0.018 119.308 119.300 -0.015 0.000 2.994 767 C HA 0.722 5.186 4.460 0.008 0.000 0.304 767 C C -0.597 174.107 174.990 -0.476 0.000 1.273 767 C CA -0.819 58.113 59.018 -0.142 0.000 1.537 767 C CB 2.151 29.778 27.740 -0.189 0.000 2.001 767 C HN 0.669 nan 8.230 nan 0.000 0.471 768 D N 1.209 121.380 120.400 -0.382 0.000 2.344 768 D HA 0.565 5.210 4.640 0.008 0.000 0.239 768 D C -0.885 175.161 176.300 -0.423 0.000 1.064 768 D CA 0.093 53.877 54.000 -0.359 0.000 0.829 768 D CB 0.925 41.718 40.800 -0.011 0.000 1.129 768 D HN 0.288 nan 8.370 nan 0.000 0.506 769 F N 0.928 120.995 119.950 0.195 0.000 2.432 769 F HA 0.450 4.981 4.527 0.008 0.000 0.329 769 F C 0.905 176.887 175.800 0.304 0.000 1.076 769 F CA -0.896 57.217 58.000 0.189 0.000 1.018 769 F CB 1.737 40.739 39.000 0.003 0.000 1.201 769 F HN -0.138 nan 8.300 nan 0.000 0.489 770 K N 2.711 123.396 120.400 0.477 0.000 2.507 770 K HA 0.320 4.644 4.320 0.008 0.000 0.252 770 K C -1.494 175.285 176.600 0.299 0.000 0.943 770 K CA -0.733 55.764 56.287 0.351 0.000 0.808 770 K CB 1.507 34.141 32.500 0.223 0.000 1.142 770 K HN 0.623 nan 8.250 nan 0.000 0.426 771 L N 5.230 126.568 121.223 0.191 0.000 2.454 771 L HA 0.174 4.519 4.340 0.008 0.000 0.284 771 L C -0.761 176.096 176.870 -0.023 0.000 1.139 771 L CA 0.668 55.465 54.840 -0.071 0.000 0.911 771 L CB 0.139 42.096 42.059 -0.170 0.000 1.262 771 L HN 0.776 nan 8.230 nan 0.000 0.453 772 D N 4.157 124.556 120.400 -0.001 0.000 2.392 772 D HA 0.438 5.083 4.640 0.008 0.000 0.228 772 D C 0.704 177.005 176.300 0.002 0.000 1.074 772 D CA 0.727 54.740 54.000 0.021 0.000 0.838 772 D CB 1.711 42.546 40.800 0.059 0.000 1.067 772 D HN 0.792 nan 8.370 nan 0.000 0.511 773 G N 5.289 114.078 108.800 -0.017 0.000 2.543 773 G HA2 -0.324 3.641 3.960 0.008 0.000 0.286 773 G HA3 -0.324 3.641 3.960 0.008 0.000 0.286 773 G C 0.284 175.127 174.900 -0.095 0.000 1.153 773 G CA 0.688 45.772 45.100 -0.027 0.000 0.968 773 G HN 0.648 nan 8.290 nan 0.000 0.544 774 D N -0.394 119.924 120.400 -0.137 0.000 2.571 774 D HA 0.388 5.033 4.640 0.008 0.000 0.239 774 D C 0.363 176.356 176.300 -0.512 0.000 1.267 774 D CA -0.128 53.696 54.000 -0.295 0.000 0.823 774 D CB 0.009 40.636 40.800 -0.289 0.000 1.056 774 D HN 0.625 nan 8.370 nan 0.000 0.494 775 H N -0.395 118.592 119.070 -0.138 0.000 2.821 775 H HA 0.301 4.862 4.556 0.008 0.000 0.373 775 H C -1.056 174.211 175.328 -0.101 0.000 1.165 775 H CA -0.654 55.337 56.048 -0.094 0.000 1.154 775 H CB 1.312 31.061 29.762 -0.021 0.000 1.765 775 H HN -0.012 nan 8.280 nan 0.000 0.549 776 Y N 0.382 120.753 120.300 0.117 0.000 2.310 776 Y HA 0.315 4.870 4.550 0.008 0.000 0.326 776 Y C 0.333 176.308 175.900 0.125 0.000 1.151 776 Y CA -0.378 57.773 58.100 0.085 0.000 1.195 776 Y CB 1.722 40.161 38.460 -0.035 0.000 1.210 776 Y HN 0.197 nan 8.280 nan 0.000 0.483 777 V N 4.321 124.439 119.914 0.340 0.000 2.656 777 V HA 0.433 4.558 4.120 0.008 0.000 0.307 777 V C -1.001 175.266 176.094 0.289 0.000 1.051 777 V CA -0.921 61.528 62.300 0.249 0.000 0.893 777 V CB 1.917 33.837 31.823 0.162 0.000 0.999 777 V HN 0.518 nan 8.190 nan 0.000 0.426 778 V N 7.701 127.767 119.914 0.253 0.000 2.403 778 V HA 0.205 4.330 4.120 0.008 0.000 0.265 778 V C 1.398 177.560 176.094 0.114 0.000 1.034 778 V CA 0.918 63.341 62.300 0.204 0.000 1.036 778 V CB 0.382 32.303 31.823 0.164 0.000 1.032 778 V HN 1.121 nan 8.190 nan 0.000 0.478 779 A N 5.215 128.085 122.820 0.083 0.000 1.970 779 A HA 0.086 4.411 4.320 0.008 0.000 0.216 779 A C 1.068 178.644 177.584 -0.014 0.000 1.170 779 A CA 0.947 53.016 52.037 0.052 0.000 0.645 779 A CB 0.129 19.172 19.000 0.073 0.000 0.816 779 A HN 0.671 nan 8.150 nan 0.000 0.447 780 K N -1.657 118.701 120.400 -0.070 0.000 2.557 780 K HA 0.556 4.880 4.320 0.008 0.000 0.257 780 K C -1.948 174.542 176.600 -0.183 0.000 0.933 780 K CA -0.196 55.984 56.287 -0.178 0.000 0.820 780 K CB 1.758 34.063 32.500 -0.325 0.000 1.330 780 K HN 0.163 nan 8.250 nan 0.000 0.432 781 A N 3.929 126.656 122.820 -0.156 0.000 2.360 781 A HA 0.457 4.782 4.320 0.008 0.000 0.309 781 A C -1.471 176.143 177.584 0.050 0.000 1.311 781 A CA -0.523 51.502 52.037 -0.020 0.000 0.805 781 A CB 0.035 19.008 19.000 -0.044 0.000 1.144 781 A HN 0.584 nan 8.150 nan 0.000 0.486 782 Y N 1.126 121.477 120.300 0.085 0.000 2.411 782 Y HA 0.395 4.950 4.550 0.008 0.000 0.333 782 Y C 0.865 176.807 175.900 0.071 0.000 1.186 782 Y CA 0.980 59.106 58.100 0.042 0.000 1.381 782 Y CB 0.993 39.430 38.460 -0.039 0.000 1.273 782 Y HN 0.868 nan 8.280 nan 0.000 0.546 783 A N 1.582 124.413 122.820 0.018 0.000 2.513 783 A HA 0.645 4.970 4.320 0.008 0.000 0.296 783 A C 0.074 177.430 177.584 -0.380 0.000 1.052 783 A CA -0.081 51.783 52.037 -0.289 0.000 0.714 783 A CB 0.688 19.248 19.000 -0.733 0.000 1.279 783 A HN 0.836 nan 8.150 nan 0.000 0.397 784 G N -0.004 108.566 108.800 -0.383 0.000 2.766 784 G HA2 0.404 4.369 3.960 0.008 0.000 0.206 784 G HA3 0.404 4.369 3.960 0.008 0.000 0.206 784 G C -0.417 174.251 174.900 -0.387 0.000 2.072 784 G CA 0.568 45.467 45.100 -0.334 0.000 0.798 784 G HN 0.671 nan 8.290 nan 0.000 0.703 785 D N -0.350 119.893 120.400 -0.263 0.000 2.428 785 D HA 0.238 4.882 4.640 0.008 0.000 0.221 785 D C 0.671 176.882 176.300 -0.148 0.000 1.123 785 D CA -0.694 53.200 54.000 -0.177 0.000 0.869 785 D CB 0.652 41.413 40.800 -0.065 0.000 1.032 785 D HN 0.203 nan 8.370 nan 0.000 0.506 786 Y N 1.753 121.977 120.300 -0.126 0.000 2.219 786 Y HA -0.258 4.297 4.550 0.008 0.000 0.283 786 Y C 2.470 178.322 175.900 -0.080 0.000 1.191 786 Y CA 1.296 59.308 58.100 -0.148 0.000 1.199 786 Y CB -0.275 38.076 38.460 -0.182 0.000 0.972 786 Y HN 0.352 nan 8.280 nan 0.000 0.527 787 S N -0.779 114.981 115.700 0.100 0.000 2.528 787 S HA 0.013 4.488 4.470 0.008 0.000 0.219 787 S C 0.619 175.243 174.600 0.040 0.000 0.985 787 S CA -0.162 58.073 58.200 0.058 0.000 0.914 787 S CB -0.185 63.042 63.200 0.045 0.000 0.776 787 S HN 0.305 nan 8.310 nan 0.000 0.526 788 N N 2.125 120.845 118.700 0.033 0.000 2.379 788 N HA 0.151 4.896 4.740 0.008 0.000 0.260 788 N C -0.035 175.505 175.510 0.050 0.000 1.254 788 N CA -0.139 52.936 53.050 0.042 0.000 0.958 788 N CB 0.324 38.844 38.487 0.055 0.000 1.208 788 N HN 0.307 nan 8.380 nan 0.000 0.532 789 E N -0.518 119.715 120.200 0.056 0.000 2.283 789 E HA 0.326 4.681 4.350 0.008 0.000 0.278 789 E C 0.078 176.736 176.600 0.097 0.000 1.027 789 E CA -0.427 56.004 56.400 0.051 0.000 0.843 789 E CB 0.241 29.950 29.700 0.016 0.000 1.062 789 E HN 0.708 nan 8.360 nan 0.000 0.401 790 G N 4.055 112.911 108.800 0.093 0.000 2.338 790 G HA2 -0.289 3.676 3.960 0.008 0.000 0.296 790 G HA3 -0.289 3.676 3.960 0.008 0.000 0.296 790 G C 0.126 175.138 174.900 0.187 0.000 1.040 790 G CA 0.730 45.912 45.100 0.137 0.000 1.004 790 G HN 0.713 nan 8.290 nan 0.000 0.509 791 E N -0.758 119.494 120.200 0.086 0.000 2.968 791 E HA 0.176 4.531 4.350 0.008 0.000 0.202 791 E C 0.651 177.212 176.600 -0.066 0.000 0.979 791 E CA 0.116 56.501 56.400 -0.025 0.000 1.192 791 E CB 0.439 30.090 29.700 -0.083 0.000 1.059 791 E HN 0.829 nan 8.360 nan 0.000 0.470 792 K N -1.243 119.179 120.400 0.037 0.000 2.615 792 K HA 0.358 4.683 4.320 0.008 0.000 0.291 792 K C -0.674 176.086 176.600 0.266 0.000 1.017 792 K CA -0.828 55.529 56.287 0.118 0.000 0.882 792 K CB 1.374 33.893 32.500 0.033 0.000 1.522 792 K HN -0.073 nan 8.250 nan 0.000 0.412 793 S N 1.220 117.189 115.700 0.449 0.000 2.533 793 S HA 0.152 4.626 4.470 0.008 0.000 0.282 793 S C -1.268 173.499 174.600 0.279 0.000 1.304 793 S CA -1.273 57.097 58.200 0.285 0.000 1.063 793 S CB 0.374 63.661 63.200 0.145 0.000 0.881 793 S HN 0.541 nan 8.310 nan 0.000 0.493 794 P HA -0.114 nan 4.420 nan 0.000 0.223 794 P C 1.343 178.751 177.300 0.180 0.000 1.144 794 P CA 1.049 64.250 63.100 0.168 0.000 0.783 794 P CB -0.042 31.735 31.700 0.127 0.000 0.771 795 I N -1.704 118.916 120.570 0.084 0.000 2.394 795 I HA -0.200 3.975 4.170 0.008 0.000 0.251 795 I C 2.255 178.403 176.117 0.052 0.000 1.136 795 I CA 1.147 62.458 61.300 0.018 0.000 1.425 795 I CB -0.658 37.228 38.000 -0.191 0.000 1.079 795 I HN -0.172 nan 8.210 nan 0.000 0.425 796 F N 1.340 121.356 119.950 0.109 0.000 2.202 796 F HA -0.231 4.301 4.527 0.008 0.000 0.301 796 F C 2.402 178.238 175.800 0.061 0.000 1.082 796 F CA 1.228 59.283 58.000 0.092 0.000 1.313 796 F CB -0.375 38.712 39.000 0.145 0.000 1.024 796 F HN 0.105 nan 8.300 nan 0.000 0.495 797 E N -1.054 119.281 120.200 0.225 0.000 2.331 797 E HA -0.226 4.128 4.350 0.008 0.000 0.199 797 E C 0.994 177.515 176.600 -0.132 0.000 1.008 797 E CA 0.940 57.356 56.400 0.025 0.000 0.843 797 E CB -0.249 29.417 29.700 -0.057 0.000 0.761 797 E HN 0.558 nan 8.360 nan 0.000 0.507 798 Y N -0.248 120.070 120.300 0.029 0.000 2.468 798 Y HA 0.194 4.749 4.550 0.008 0.000 0.268 798 Y C 1.377 177.275 175.900 -0.004 0.000 1.177 798 Y CA 0.351 58.449 58.100 -0.004 0.000 1.265 798 Y CB 1.007 39.444 38.460 -0.038 0.000 1.103 798 Y HN 0.043 nan 8.280 nan 0.000 0.522 799 G N 1.557 110.426 108.800 0.114 0.000 2.212 799 G HA2 -0.260 3.705 3.960 0.008 0.000 0.255 799 G HA3 -0.260 3.705 3.960 0.008 0.000 0.255 799 G C -0.190 174.755 174.900 0.075 0.000 1.062 799 G CA 0.358 45.508 45.100 0.083 0.000 0.815 799 G HN 0.484 nan 8.290 nan 0.000 0.497 800 I N -3.911 116.695 120.570 0.059 0.000 2.841 800 I HA 0.680 4.854 4.170 0.008 0.000 0.298 800 I C -1.302 174.739 176.117 -0.128 0.000 1.304 800 I CA -1.535 59.753 61.300 -0.021 0.000 1.019 800 I CB 2.263 40.181 38.000 -0.138 0.000 1.282 800 I HN -0.046 nan 8.210 nan 0.000 0.432 801 D N 6.630 126.994 120.400 -0.060 0.000 2.359 801 D HA 0.357 5.002 4.640 0.008 0.000 0.230 801 D C -1.556 174.616 176.300 -0.213 0.000 1.118 801 D CA -2.360 51.553 54.000 -0.146 0.000 0.844 801 D CB 1.811 42.724 40.800 0.189 0.000 1.059 801 D HN 0.431 nan 8.370 nan 0.000 0.493 802 P HA -0.095 nan 4.420 nan 0.000 0.225 802 P C 0.163 177.500 177.300 0.061 0.000 1.148 802 P CA 0.303 63.211 63.100 -0.321 0.000 0.779 802 P CB -0.083 31.428 31.700 -0.315 0.000 0.780 803 T N 0.545 115.137 114.554 0.064 0.000 2.866 803 T HA 0.263 4.618 4.350 0.008 0.000 0.293 803 T C 1.565 176.381 174.700 0.193 0.000 1.005 803 T CA 1.329 63.496 62.100 0.111 0.000 1.162 803 T CB -0.187 68.727 68.868 0.077 0.000 0.968 803 T HN 0.399 nan 8.240 nan 0.000 0.530 804 G N 2.451 111.334 108.800 0.138 0.000 2.284 804 G HA2 -0.263 3.701 3.960 0.008 0.000 0.247 804 G HA3 -0.263 3.701 3.960 0.008 0.000 0.247 804 G C 0.167 175.100 174.900 0.055 0.000 1.012 804 G CA -0.183 44.963 45.100 0.076 0.000 0.618 804 G HN 0.719 nan 8.290 nan 0.000 0.521 805 Y N 0.302 120.605 120.300 0.006 0.000 2.330 805 Y HA 0.560 5.115 4.550 0.008 0.000 0.341 805 Y C 1.324 177.235 175.900 0.019 0.000 1.278 805 Y CA -0.308 57.790 58.100 -0.003 0.000 1.453 805 Y CB 0.478 38.926 38.460 -0.019 0.000 1.342 805 Y HN 0.134 nan 8.280 nan 0.000 0.590 806 L N 2.954 124.258 121.223 0.135 0.000 2.317 806 L HA 0.404 4.749 4.340 0.008 0.000 0.281 806 L C -0.751 176.170 176.870 0.086 0.000 1.024 806 L CA -0.593 54.295 54.840 0.081 0.000 0.810 806 L CB 1.340 43.366 42.059 -0.055 0.000 1.240 806 L HN 0.469 nan 8.230 nan 0.000 0.427 807 I N 3.457 124.088 120.570 0.102 0.000 2.281 807 I HA 0.065 4.240 4.170 0.008 0.000 0.293 807 I C 1.102 177.259 176.117 0.065 0.000 1.085 807 I CA -0.289 61.035 61.300 0.041 0.000 1.257 807 I CB 0.962 38.933 38.000 -0.048 0.000 1.430 807 I HN 0.702 nan 8.210 nan 0.000 0.489 808 E N 4.652 124.870 120.200 0.029 0.000 2.028 808 E HA -0.117 4.238 4.350 0.008 0.000 0.191 808 E C -0.122 176.505 176.600 0.045 0.000 0.988 808 E CA 1.303 57.734 56.400 0.051 0.000 0.799 808 E CB 0.016 29.718 29.700 0.004 0.000 0.755 808 E HN 0.850 nan 8.360 nan 0.000 0.447 809 D N -1.924 118.469 120.400 -0.012 0.000 2.671 809 D HA 0.448 5.093 4.640 0.008 0.000 0.273 809 D C -0.893 175.362 176.300 -0.075 0.000 1.264 809 D CA -0.618 53.358 54.000 -0.039 0.000 0.788 809 D CB 0.917 41.701 40.800 -0.026 0.000 1.324 809 D HN -0.112 nan 8.370 nan 0.000 0.424 810 I N 0.297 120.814 120.570 -0.089 0.000 2.478 810 I HA 0.316 4.491 4.170 0.008 0.000 0.287 810 I C -0.836 175.234 176.117 -0.077 0.000 1.042 810 I CA -0.677 60.563 61.300 -0.100 0.000 1.067 810 I CB 1.827 39.743 38.000 -0.139 0.000 1.233 810 I HN 0.707 nan 8.210 nan 0.000 0.431 811 D N 5.350 125.712 120.400 -0.065 0.000 2.697 811 D HA -0.194 4.451 4.640 0.008 0.000 0.238 811 D C 1.143 177.417 176.300 -0.043 0.000 1.152 811 D CA 1.597 55.567 54.000 -0.050 0.000 0.666 811 D CB -0.667 40.105 40.800 -0.047 0.000 1.037 811 D HN 1.111 nan 8.370 nan 0.000 0.423 812 G N 0.309 109.085 108.800 -0.041 0.000 2.220 812 G HA2 -0.385 3.580 3.960 0.008 0.000 0.269 812 G HA3 -0.385 3.580 3.960 0.008 0.000 0.269 812 G C 0.164 175.044 174.900 -0.034 0.000 0.977 812 G CA 0.725 45.805 45.100 -0.033 0.000 0.634 812 G HN 0.797 nan 8.290 nan 0.000 0.539 813 E N 1.128 121.302 120.200 -0.044 0.000 2.146 813 E HA 0.533 4.888 4.350 0.008 0.000 0.282 813 E C 0.066 176.639 176.600 -0.046 0.000 0.989 813 E CA -0.359 56.014 56.400 -0.045 0.000 0.799 813 E CB 0.532 30.199 29.700 -0.056 0.000 1.088 813 E HN 0.068 nan 8.360 nan 0.000 0.397 814 T N 3.658 118.192 114.554 -0.033 0.000 2.888 814 T HA 0.225 4.580 4.350 0.008 0.000 0.301 814 T C -0.204 174.478 174.700 -0.029 0.000 1.001 814 T CA -0.327 61.761 62.100 -0.020 0.000 1.147 814 T CB 0.505 69.365 68.868 -0.014 0.000 0.931 814 T HN 0.395 nan 8.240 nan 0.000 0.541 815 V N 0.969 120.878 119.914 -0.008 0.000 2.815 815 V HA 1.080 5.205 4.120 0.008 0.000 0.314 815 V C 0.398 176.546 176.094 0.090 0.000 1.064 815 V CA -0.219 62.094 62.300 0.021 0.000 0.952 815 V CB 1.357 33.149 31.823 -0.051 0.000 1.020 815 V HN 1.138 nan 8.190 nan 0.000 0.439 816 G N 1.241 110.100 108.800 0.099 0.000 2.373 816 G HA2 0.519 4.484 3.960 0.008 0.000 0.250 816 G HA3 0.519 4.484 3.960 0.008 0.000 0.250 816 G C 0.621 175.338 174.900 -0.305 0.000 1.304 816 G CA -0.039 44.947 45.100 -0.190 0.000 0.948 816 G HN 1.625 nan 8.290 nan 0.000 0.474 817 A N -0.657 121.955 122.820 -0.347 0.000 1.929 817 A HA 0.121 4.446 4.320 0.008 0.000 0.221 817 A C 2.307 179.792 177.584 -0.164 0.000 1.211 817 A CA 3.317 55.200 52.037 -0.257 0.000 0.657 817 A CB -0.954 17.918 19.000 -0.214 0.000 0.827 817 A HN 2.196 nan 8.150 nan 0.000 0.462 818 G N -2.165 106.556 108.800 -0.132 0.000 3.605 818 G HA2 0.426 4.391 3.960 0.008 0.000 0.277 818 G HA3 0.426 4.391 3.960 0.008 0.000 0.277 818 G C 0.033 174.896 174.900 -0.062 0.000 1.093 818 G CA 0.841 45.889 45.100 -0.085 0.000 0.821 818 G HN 0.516 nan 8.290 nan 0.000 0.532 819 S N 0.470 116.143 115.700 -0.046 0.000 2.680 819 S HA 0.214 4.689 4.470 0.008 0.000 0.262 819 S C -0.855 173.764 174.600 0.031 0.000 1.138 819 S CA -0.801 57.384 58.200 -0.025 0.000 1.072 819 S CB 0.539 63.716 63.200 -0.038 0.000 1.097 819 S HN 0.198 nan 8.310 nan 0.000 0.468 820 N N 4.812 123.500 118.700 -0.020 0.000 2.411 820 N HA -0.006 4.739 4.740 0.008 0.000 0.282 820 N C 1.189 176.567 175.510 -0.220 0.000 1.322 820 N CA 0.263 53.291 53.050 -0.036 0.000 0.943 820 N CB 0.066 38.486 38.487 -0.112 0.000 1.266 820 N HN 0.833 nan 8.380 nan 0.000 0.486 821 I N 4.438 124.757 120.570 -0.418 0.000 2.394 821 I HA -0.289 3.886 4.170 0.008 0.000 0.251 821 I C 0.802 176.492 176.117 -0.712 0.000 1.136 821 I CA 1.132 61.960 61.300 -0.788 0.000 1.425 821 I CB 0.032 37.083 38.000 -1.582 0.000 1.079 821 I HN 0.500 nan 8.210 nan 0.000 0.425 822 Y N 0.716 120.836 120.300 -0.300 0.000 2.165 822 Y HA -0.276 4.278 4.550 0.008 0.000 0.286 822 Y C 2.735 178.399 175.900 -0.393 0.000 1.155 822 Y CA 1.853 59.835 58.100 -0.197 0.000 1.164 822 Y CB -0.857 37.575 38.460 -0.047 0.000 0.978 822 Y HN 0.165 nan 8.280 nan 0.000 0.513 823 R N 0.272 120.385 120.500 -0.646 0.000 2.066 823 R HA -0.113 4.232 4.340 0.008 0.000 0.232 823 R C 2.051 178.108 176.300 -0.405 0.000 1.131 823 R CA 1.623 57.125 56.100 -0.996 0.000 0.955 823 R CB -0.591 29.006 30.300 -1.172 0.000 0.851 823 R HN 0.183 nan 8.270 nan 0.000 0.432 824 V N 1.748 121.470 119.914 -0.321 0.000 2.282 824 V HA -0.288 3.837 4.120 0.008 0.000 0.249 824 V C 2.448 178.444 176.094 -0.163 0.000 1.057 824 V CA 1.955 64.129 62.300 -0.210 0.000 1.032 824 V CB -0.488 31.207 31.823 -0.214 0.000 0.645 824 V HN 0.348 nan 8.190 nan 0.000 0.447 825 L N -0.203 120.910 121.223 -0.185 0.000 2.046 825 L HA -0.178 4.167 4.340 0.008 0.000 0.208 825 L C 2.738 179.591 176.870 -0.029 0.000 1.077 825 L CA 1.740 56.519 54.840 -0.102 0.000 0.747 825 L CB -0.721 41.287 42.059 -0.085 0.000 0.896 825 L HN 0.373 nan 8.230 nan 0.000 0.432 826 S N 0.129 115.819 115.700 -0.017 0.000 2.372 826 S HA -0.264 4.211 4.470 0.008 0.000 0.227 826 S C 1.717 176.352 174.600 0.059 0.000 1.044 826 S CA 1.890 60.135 58.200 0.076 0.000 1.050 826 S CB -0.181 63.126 63.200 0.178 0.000 0.901 826 S HN 0.500 nan 8.310 nan 0.000 0.447 827 E N -0.215 119.994 120.200 0.015 0.000 2.511 827 E HA 0.039 4.394 4.350 0.008 0.000 0.196 827 E C 1.424 178.027 176.600 0.005 0.000 1.066 827 E CA 0.444 56.854 56.400 0.016 0.000 0.871 827 E CB 0.220 29.918 29.700 -0.004 0.000 0.863 827 E HN 0.358 nan 8.360 nan 0.000 0.520 828 K N -0.083 120.316 120.400 -0.002 0.000 2.402 828 K HA 0.254 4.579 4.320 0.008 0.000 0.204 828 K C 0.309 176.915 176.600 0.011 0.000 1.056 828 K CA -0.072 56.213 56.287 -0.004 0.000 1.069 828 K CB 0.977 33.463 32.500 -0.024 0.000 0.888 828 K HN -0.022 nan 8.250 nan 0.000 0.546 829 A N 1.024 123.859 122.820 0.025 0.000 2.567 829 A HA 0.345 4.670 4.320 0.008 0.000 0.240 829 A C 1.265 178.867 177.584 0.031 0.000 1.053 829 A CA 1.373 53.431 52.037 0.036 0.000 0.755 829 A CB -0.462 18.570 19.000 0.052 0.000 0.978 829 A HN 0.578 nan 8.150 nan 0.000 0.507 830 G N 1.289 110.107 108.800 0.031 0.000 2.176 830 G HA2 -0.053 3.912 3.960 0.008 0.000 0.253 830 G HA3 -0.053 3.912 3.960 0.008 0.000 0.253 830 G C 0.494 175.407 174.900 0.023 0.000 0.979 830 G CA 1.012 46.128 45.100 0.027 0.000 0.641 830 G HN 2.522 nan 8.290 nan 0.000 0.530 831 T N -2.919 111.648 114.554 0.021 0.000 2.696 831 T HA 0.766 5.121 4.350 0.008 0.000 0.291 831 T C -0.346 174.365 174.700 0.019 0.000 1.095 831 T CA 0.292 62.403 62.100 0.018 0.000 1.026 831 T CB 2.011 70.886 68.868 0.011 0.000 1.390 831 T HN 0.595 nan 8.240 nan 0.000 0.513 832 S N 0.115 115.825 115.700 0.017 0.000 2.475 832 S HA 0.816 5.291 4.470 0.008 0.000 0.298 832 S C -0.434 174.167 174.600 0.001 0.000 1.119 832 S CA -0.631 57.580 58.200 0.019 0.000 1.085 832 S CB 1.005 64.225 63.200 0.033 0.000 1.028 832 S HN 1.092 nan 8.310 nan 0.000 0.489 833 A N 2.497 125.309 122.820 -0.012 0.000 2.401 833 A HA 0.717 5.042 4.320 0.008 0.000 0.310 833 A C -0.355 177.200 177.584 -0.049 0.000 1.075 833 A CA -0.891 51.128 52.037 -0.031 0.000 0.746 833 A CB 0.976 19.951 19.000 -0.041 0.000 1.277 833 A HN 0.813 nan 8.150 nan 0.000 0.425 834 R N 2.236 122.704 120.500 -0.054 0.000 2.296 834 R HA 0.389 4.734 4.340 0.008 0.000 0.323 834 R C -0.980 175.268 176.300 -0.087 0.000 1.067 834 R CA -0.079 55.977 56.100 -0.073 0.000 0.946 834 R CB 0.067 30.332 30.300 -0.057 0.000 0.991 834 R HN 0.552 nan 8.270 nan 0.000 0.448 835 I N 4.421 124.923 120.570 -0.113 0.000 2.404 835 I HA 0.316 4.490 4.170 0.008 0.000 0.293 835 I C -0.010 176.041 176.117 -0.110 0.000 0.992 835 I CA -0.981 60.252 61.300 -0.113 0.000 1.149 835 I CB 1.455 39.379 38.000 -0.126 0.000 1.315 835 I HN 0.578 nan 8.210 nan 0.000 0.446 836 R N 6.289 126.741 120.500 -0.080 0.000 2.255 836 R HA 0.678 5.023 4.340 0.008 0.000 0.326 836 R C -1.439 174.837 176.300 -0.039 0.000 0.986 836 R CA -0.156 55.908 56.100 -0.059 0.000 0.847 836 R CB 0.559 30.835 30.300 -0.040 0.000 1.111 836 R HN 0.607 nan 8.270 nan 0.000 0.452 837 L N 2.224 123.433 121.223 -0.024 0.000 2.333 837 L HA 0.610 4.955 4.340 0.008 0.000 0.269 837 L C -0.437 176.510 176.870 0.127 0.000 1.010 837 L CA -0.871 54.000 54.840 0.051 0.000 0.818 837 L CB 2.524 44.589 42.059 0.009 0.000 1.306 837 L HN 0.611 nan 8.230 nan 0.000 0.430 838 S N 0.074 115.874 115.700 0.167 0.000 2.594 838 S HA 0.726 5.201 4.470 0.008 0.000 0.296 838 S C 0.033 174.588 174.600 -0.074 0.000 1.124 838 S CA -0.550 57.686 58.200 0.059 0.000 1.011 838 S CB 1.928 65.097 63.200 -0.053 0.000 1.016 838 S HN 0.839 nan 8.310 nan 0.000 0.485 839 G N 1.499 110.124 108.800 -0.292 0.000 3.135 839 G HA2 0.541 4.506 3.960 0.008 0.000 0.159 839 G HA3 0.541 4.506 3.960 0.008 0.000 0.159 839 G C -0.547 174.116 174.900 -0.394 0.000 1.244 839 G CA -0.703 43.916 45.100 -0.802 0.000 0.965 839 G HN 0.532 nan 8.290 nan 0.000 0.599 840 K N 0.905 121.086 120.400 -0.365 0.000 2.430 840 K HA 0.441 4.766 4.320 0.008 0.000 0.280 840 K C 0.933 177.459 176.600 -0.122 0.000 1.063 840 K CA 1.330 57.504 56.287 -0.189 0.000 1.071 840 K CB -0.402 32.012 32.500 -0.142 0.000 0.899 840 K HN 1.550 nan 8.250 nan 0.000 0.473 841 G N 3.634 112.377 108.800 -0.095 0.000 2.552 841 G HA2 -0.295 3.670 3.960 0.008 0.000 0.265 841 G HA3 -0.295 3.670 3.960 0.008 0.000 0.265 841 G C 0.643 175.507 174.900 -0.060 0.000 1.234 841 G CA -0.152 44.909 45.100 -0.064 0.000 0.944 841 G HN 1.075 nan 8.290 nan 0.000 0.568 842 G N -0.031 108.745 108.800 -0.039 0.000 3.295 842 G HA2 0.344 4.308 3.960 0.008 0.000 0.231 842 G HA3 0.344 4.308 3.960 0.008 0.000 0.231 842 G C 0.330 175.219 174.900 -0.018 0.000 1.277 842 G CA 1.031 46.114 45.100 -0.029 0.000 1.013 842 G HN 0.738 nan 8.290 nan 0.000 0.509 843 D N 1.262 121.646 120.400 -0.027 0.000 2.455 843 D HA 0.148 4.793 4.640 0.008 0.000 0.234 843 D C 0.250 176.579 176.300 0.047 0.000 1.224 843 D CA 0.196 54.202 54.000 0.010 0.000 0.999 843 D CB 0.057 40.849 40.800 -0.014 0.000 1.072 843 D HN 0.217 nan 8.370 nan 0.000 0.514 844 K N 3.710 124.135 120.400 0.042 0.000 2.244 844 K HA 0.524 4.849 4.320 0.008 0.000 0.260 844 K C -0.036 176.587 176.600 0.037 0.000 0.951 844 K CA -1.014 55.298 56.287 0.041 0.000 0.826 844 K CB 2.071 34.575 32.500 0.007 0.000 1.108 844 K HN 0.069 nan 8.250 nan 0.000 0.433 845 R N 1.594 122.111 120.500 0.028 0.000 2.740 845 R HA 0.320 4.665 4.340 0.008 0.000 0.282 845 R C -1.065 175.191 176.300 -0.073 0.000 0.969 845 R CA -0.865 55.216 56.100 -0.031 0.000 0.918 845 R CB 1.385 31.642 30.300 -0.072 0.000 1.175 845 R HN 0.634 nan 8.270 nan 0.000 0.464 846 D N 3.225 123.565 120.400 -0.099 0.000 2.389 846 D HA 0.357 5.002 4.640 0.008 0.000 0.256 846 D C -0.973 175.216 176.300 -0.186 0.000 1.239 846 D CA -0.342 53.590 54.000 -0.115 0.000 0.925 846 D CB 0.433 41.192 40.800 -0.069 0.000 1.145 846 D HN 0.378 nan 8.370 nan 0.000 0.542 847 L N 1.134 122.190 121.223 -0.280 0.000 2.341 847 L HA 0.591 4.936 4.340 0.008 0.000 0.267 847 L C 0.229 176.901 176.870 -0.330 0.000 1.009 847 L CA -1.070 53.480 54.840 -0.483 0.000 0.819 847 L CB 2.054 43.554 42.059 -0.931 0.000 1.323 847 L HN 0.075 nan 8.230 nan 0.000 0.425 848 M N 3.485 122.930 119.600 -0.258 0.000 2.094 848 M HA 0.389 4.874 4.480 0.008 0.000 0.348 848 M C -0.684 175.611 176.300 -0.009 0.000 1.267 848 M CA -0.299 54.962 55.300 -0.065 0.000 1.125 848 M CB 0.578 33.202 32.600 0.040 0.000 1.527 848 M HN 0.328 nan 8.290 nan 0.000 0.447 849 I N 3.042 123.592 120.570 -0.034 0.000 2.392 849 I HA 0.243 4.417 4.170 0.008 0.000 0.295 849 I C 0.192 176.337 176.117 0.047 0.000 0.985 849 I CA -0.716 60.598 61.300 0.023 0.000 1.221 849 I CB 1.325 39.307 38.000 -0.030 0.000 1.366 849 I HN 0.436 nan 8.210 nan 0.000 0.467 850 D N 6.446 126.895 120.400 0.080 0.000 2.390 850 D HA 0.261 4.906 4.640 0.008 0.000 0.249 850 D C 0.214 176.544 176.300 0.050 0.000 1.144 850 D CA 0.270 54.307 54.000 0.062 0.000 0.880 850 D CB 1.412 42.255 40.800 0.071 0.000 1.182 850 D HN 0.254 nan 8.370 nan 0.000 0.451 851 I N 3.573 124.166 120.570 0.038 0.000 2.330 851 I HA 0.139 4.313 4.170 0.008 0.000 0.286 851 I C 0.455 176.598 176.117 0.043 0.000 1.025 851 I CA -0.615 60.707 61.300 0.037 0.000 1.197 851 I CB 0.602 38.614 38.000 0.020 0.000 1.358 851 I HN 0.099 nan 8.210 nan 0.000 0.467 852 L N 5.479 126.733 121.223 0.051 0.000 2.473 852 L HA 0.086 4.431 4.340 0.008 0.000 0.268 852 L C 0.776 177.675 176.870 0.047 0.000 1.215 852 L CA 0.062 54.931 54.840 0.048 0.000 0.823 852 L CB 0.368 42.456 42.059 0.049 0.000 1.099 852 L HN 0.547 nan 8.230 nan 0.000 0.483 853 D N -0.845 119.581 120.400 0.042 0.000 2.305 853 D HA 0.008 4.653 4.640 0.008 0.000 0.206 853 D C -0.158 176.165 176.300 0.040 0.000 0.974 853 D CA 0.727 54.753 54.000 0.044 0.000 0.871 853 D CB 0.274 41.098 40.800 0.039 0.000 0.947 853 D HN 0.536 nan 8.370 nan 0.000 0.516 854 D N -1.022 119.396 120.400 0.030 0.000 2.622 854 D HA 0.218 4.863 4.640 0.008 0.000 0.255 854 D C -1.501 174.803 176.300 0.007 0.000 1.246 854 D CA -0.721 53.286 54.000 0.012 0.000 0.795 854 D CB 1.441 42.246 40.800 0.008 0.000 1.369 854 D HN -0.118 nan 8.370 nan 0.000 0.425 855 D N 0.761 121.144 120.400 -0.030 0.000 2.640 855 D HA 0.039 4.684 4.640 0.008 0.000 0.282 855 D C 1.160 177.396 176.300 -0.108 0.000 1.558 855 D CA -0.261 53.712 54.000 -0.045 0.000 0.820 855 D CB -0.105 40.657 40.800 -0.063 0.000 1.243 855 D HN 0.294 nan 8.370 nan 0.000 0.456 856 R N 0.188 120.631 120.500 -0.095 0.000 2.083 856 R HA -0.086 4.259 4.340 0.008 0.000 0.237 856 R C 1.638 177.881 176.300 -0.095 0.000 1.137 856 R CA 1.537 57.548 56.100 -0.148 0.000 0.951 856 R CB -0.965 29.260 30.300 -0.126 0.000 0.851 856 R HN 0.161 nan 8.270 nan 0.000 0.434 857 F N 0.677 120.559 119.950 -0.112 0.000 2.134 857 F HA -0.071 4.461 4.527 0.008 0.000 0.299 857 F C 1.786 177.576 175.800 -0.016 0.000 1.097 857 F CA 1.507 59.484 58.000 -0.038 0.000 1.264 857 F CB -0.202 38.778 39.000 -0.033 0.000 1.001 857 F HN 0.037 nan 8.300 nan 0.000 0.479 858 I N -0.098 120.388 120.570 -0.139 0.000 2.226 858 I HA -0.305 3.870 4.170 0.008 0.000 0.245 858 I C 2.505 178.471 176.117 -0.252 0.000 1.100 858 I CA 1.385 62.565 61.300 -0.200 0.000 1.374 858 I CB -0.534 37.429 38.000 -0.062 0.000 1.057 858 I HN 0.059 nan 8.210 nan 0.000 0.413 859 R N -0.244 120.066 120.500 -0.318 0.000 2.081 859 R HA -0.220 4.124 4.340 0.008 0.000 0.235 859 R C 2.409 178.538 176.300 -0.286 0.000 1.131 859 R CA 1.771 57.622 56.100 -0.415 0.000 0.960 859 R CB -0.616 29.319 30.300 -0.608 0.000 0.856 859 R HN 0.328 nan 8.270 nan 0.000 0.436 860 Y N 1.702 121.726 120.300 -0.460 0.000 2.070 860 Y HA -0.235 4.320 4.550 0.008 0.000 0.280 860 Y C 2.164 177.905 175.900 -0.265 0.000 1.148 860 Y CA 1.528 59.336 58.100 -0.487 0.000 1.125 860 Y CB -0.056 38.088 38.460 -0.525 0.000 0.975 860 Y HN -0.155 nan 8.280 nan 0.000 0.492 861 R N -0.148 119.969 120.500 -0.638 0.000 2.120 861 R HA -0.149 4.196 4.340 0.008 0.000 0.234 861 R C 2.651 178.732 176.300 -0.365 0.000 1.123 861 R CA 1.184 56.925 56.100 -0.597 0.000 0.975 861 R CB -1.191 28.752 30.300 -0.595 0.000 0.866 861 R HN 0.404 nan 8.270 nan 0.000 0.446 862 S N 0.182 115.733 115.700 -0.248 0.000 2.348 862 S HA -0.186 4.289 4.470 0.008 0.000 0.221 862 S C 1.672 176.219 174.600 -0.089 0.000 1.033 862 S CA 1.274 59.402 58.200 -0.120 0.000 1.010 862 S CB -0.316 62.936 63.200 0.086 0.000 0.891 862 S HN 0.540 nan 8.310 nan 0.000 0.442 863 W N 1.959 123.099 121.300 -0.268 0.000 2.333 863 W HA -0.170 4.495 4.660 0.008 0.000 0.316 863 W C 2.019 178.379 176.519 -0.265 0.000 1.215 863 W CA 1.921 59.120 57.345 -0.244 0.000 1.278 863 W CB -0.831 28.459 29.460 -0.283 0.000 1.154 863 W HN 0.125 nan 8.180 nan 0.000 0.486 864 V N 1.130 120.923 119.914 -0.202 0.000 2.287 864 V HA -0.319 3.805 4.120 0.008 0.000 0.248 864 V C 2.382 178.312 176.094 -0.273 0.000 1.053 864 V CA 2.383 64.523 62.300 -0.267 0.000 1.027 864 V CB -1.020 30.658 31.823 -0.242 0.000 0.646 864 V HN 0.147 nan 8.190 nan 0.000 0.447 865 E N 0.175 120.229 120.200 -0.244 0.000 2.204 865 E HA -0.124 4.231 4.350 0.008 0.000 0.194 865 E C 2.276 178.721 176.600 -0.259 0.000 0.989 865 E CA 1.323 57.595 56.400 -0.214 0.000 0.824 865 E CB -0.414 29.170 29.700 -0.193 0.000 0.756 865 E HN 0.609 nan 8.360 nan 0.000 0.477 866 A N 1.549 124.188 122.820 -0.302 0.000 1.872 866 A HA -0.159 4.166 4.320 0.008 0.000 0.214 866 A C 1.972 179.319 177.584 -0.396 0.000 1.187 866 A CA 1.473 53.332 52.037 -0.296 0.000 0.614 866 A CB -0.735 18.097 19.000 -0.280 0.000 0.826 866 A HN 0.258 nan 8.150 nan 0.000 0.442 867 N N -1.088 117.231 118.700 -0.636 0.000 2.244 867 N HA -0.143 4.602 4.740 0.008 0.000 0.183 867 N C 2.046 177.052 175.510 -0.840 0.000 1.016 867 N CA 0.923 53.478 53.050 -0.824 0.000 0.866 867 N CB -0.124 37.594 38.487 -1.282 0.000 0.980 867 N HN 0.473 nan 8.380 nan 0.000 0.430 868 R N 1.570 121.660 120.500 -0.682 0.000 2.073 868 R HA 0.003 4.348 4.340 0.008 0.000 0.229 868 R C 1.974 177.904 176.300 -0.616 0.000 1.120 868 R CA 1.036 56.790 56.100 -0.577 0.000 0.967 868 R CB 0.064 30.207 30.300 -0.261 0.000 0.862 868 R HN 0.188 nan 8.270 nan 0.000 0.436 869 R N -0.792 119.491 120.500 -0.360 0.000 2.081 869 R HA -0.186 4.159 4.340 0.008 0.000 0.235 869 R C 2.210 178.406 176.300 -0.173 0.000 1.131 869 R CA 1.726 57.699 56.100 -0.212 0.000 0.960 869 R CB -0.508 29.731 30.300 -0.102 0.000 0.856 869 R HN 0.289 nan 8.270 nan 0.000 0.436 870 Y N 1.195 121.306 120.300 -0.314 0.000 2.128 870 Y HA -0.260 4.295 4.550 0.008 0.000 0.284 870 Y C 2.130 177.883 175.900 -0.245 0.000 1.154 870 Y CA 1.470 59.416 58.100 -0.258 0.000 1.149 870 Y CB -0.340 37.941 38.460 -0.298 0.000 0.976 870 Y HN -0.234 nan 8.280 nan 0.000 0.505 871 V N 0.147 119.880 119.914 -0.302 0.000 2.343 871 V HA -0.337 3.788 4.120 0.008 0.000 0.247 871 V C 2.348 178.312 176.094 -0.217 0.000 1.051 871 V CA 2.304 64.426 62.300 -0.296 0.000 1.036 871 V CB -0.811 30.858 31.823 -0.256 0.000 0.654 871 V HN 0.499 nan 8.190 nan 0.000 0.451 872 H N 0.244 119.170 119.070 -0.240 0.000 2.387 872 H HA -0.108 4.453 4.556 0.008 0.000 0.299 872 H C 2.361 177.577 175.328 -0.186 0.000 1.090 872 H CA 1.693 57.612 56.048 -0.216 0.000 1.332 872 H CB -0.176 29.493 29.762 -0.156 0.000 1.386 872 H HN 0.554 nan 8.280 nan 0.000 0.516 873 E N 0.192 120.336 120.200 -0.093 0.000 2.112 873 E HA -0.037 4.318 4.350 0.008 0.000 0.190 873 E C 2.344 178.820 176.600 -0.206 0.000 0.979 873 E CA 0.165 56.484 56.400 -0.134 0.000 0.814 873 E CB 0.196 29.811 29.700 -0.141 0.000 0.762 873 E HN 0.198 nan 8.360 nan 0.000 0.460 874 R N 0.500 120.788 120.500 -0.353 0.000 2.148 874 R HA -0.047 4.298 4.340 0.008 0.000 0.223 874 R C 1.905 178.086 176.300 -0.198 0.000 1.088 874 R CA 1.429 57.322 56.100 -0.345 0.000 0.985 874 R CB 0.071 30.029 30.300 -0.570 0.000 0.880 874 R HN 0.145 nan 8.270 nan 0.000 0.451 875 S N -0.015 115.591 115.700 -0.158 0.000 2.605 875 S HA 0.104 4.579 4.470 0.008 0.000 0.217 875 S C 0.181 174.743 174.600 -0.063 0.000 0.958 875 S CA -0.262 57.882 58.200 -0.094 0.000 0.919 875 S CB 0.390 63.545 63.200 -0.076 0.000 0.780 875 S HN 0.089 nan 8.310 nan 0.000 0.507 876 K N 0.743 121.100 120.400 -0.071 0.000 3.071 876 K HA -0.173 4.152 4.320 0.008 0.000 0.265 876 K C 0.887 177.473 176.600 -0.022 0.000 1.060 876 K CA 0.704 56.964 56.287 -0.045 0.000 0.767 876 K CB -2.500 29.978 32.500 -0.036 0.000 1.241 876 K HN 1.290 nan 8.250 nan 0.000 0.486 877 G N -0.675 108.111 108.800 -0.024 0.000 2.143 877 G HA2 -0.379 3.586 3.960 0.008 0.000 0.248 877 G HA3 -0.379 3.586 3.960 0.008 0.000 0.248 877 G C 0.603 175.552 174.900 0.082 0.000 0.991 877 G CA 1.557 46.656 45.100 -0.003 0.000 0.689 877 G HN 0.782 nan 8.290 nan 0.000 0.522 878 T N -2.279 112.300 114.554 0.042 0.000 3.054 878 T HA 0.643 4.998 4.350 0.008 0.000 0.255 878 T C 0.719 175.478 174.700 0.098 0.000 1.035 878 T CA 0.387 62.552 62.100 0.108 0.000 0.941 878 T CB 0.382 69.280 68.868 0.050 0.000 1.026 878 T HN 0.533 nan 8.240 nan 0.000 0.533 879 I N 1.242 121.770 120.570 -0.070 0.000 2.582 879 I HA 0.619 4.794 4.170 0.008 0.000 0.292 879 I C 0.591 176.482 176.117 -0.376 0.000 1.066 879 I CA -1.458 59.777 61.300 -0.107 0.000 1.053 879 I CB 2.227 40.205 38.000 -0.036 0.000 1.241 879 I HN 0.198 nan 8.210 nan 0.000 0.421 880 G N 3.644 112.273 108.800 -0.284 0.000 2.522 880 G HA2 0.491 4.456 3.960 0.008 0.000 0.304 880 G HA3 0.491 4.456 3.960 0.008 0.000 0.304 880 G C -1.902 173.037 174.900 0.066 0.000 1.210 880 G CA -0.159 44.814 45.100 -0.213 0.000 0.960 880 G HN 0.556 nan 8.290 nan 0.000 0.497 881 Y N -0.734 119.531 120.300 -0.058 0.000 2.479 881 Y HA 0.650 5.205 4.550 0.008 0.000 0.338 881 Y C -1.080 174.831 175.900 0.018 0.000 1.055 881 Y CA -1.048 57.026 58.100 -0.042 0.000 1.023 881 Y CB 1.631 40.001 38.460 -0.149 0.000 1.287 881 Y HN 0.450 nan 8.280 nan 0.000 0.447 882 I N 5.941 126.145 120.570 -0.610 0.000 2.656 882 I HA 0.301 4.475 4.170 0.008 0.000 0.292 882 I C -1.400 174.401 176.117 -0.526 0.000 1.144 882 I CA -0.832 60.242 61.300 -0.377 0.000 1.038 882 I CB 2.359 40.307 38.000 -0.086 0.000 1.244 882 I HN 0.657 nan 8.210 nan 0.000 0.420 883 H N 6.574 125.498 119.070 -0.244 0.000 2.572 883 H HA 0.601 5.162 4.556 0.008 0.000 0.359 883 H C -1.586 173.853 175.328 0.184 0.000 1.134 883 H CA -0.633 55.424 56.048 0.014 0.000 1.187 883 H CB 2.319 32.278 29.762 0.329 0.000 1.597 883 H HN 0.463 nan 8.280 nan 0.000 0.524 884 I N 7.579 127.747 120.570 -0.670 0.000 2.420 884 I HA 0.182 4.357 4.170 0.008 0.000 0.282 884 I C -1.745 174.153 176.117 -0.366 0.000 1.019 884 I CA -2.068 59.029 61.300 -0.337 0.000 1.130 884 I CB 2.327 40.102 38.000 -0.376 0.000 1.262 884 I HN 0.449 nan 8.210 nan 0.000 0.454 885 P HA -0.074 nan 4.420 nan 0.000 0.217 885 P C -0.291 177.049 177.300 0.066 0.000 1.151 885 P CA 1.429 64.665 63.100 0.227 0.000 0.828 885 P CB 0.207 31.923 31.700 0.027 0.000 0.788 886 D N -2.832 117.566 120.400 -0.004 0.000 2.768 886 D HA 0.183 4.827 4.640 0.008 0.000 0.327 886 D C -0.128 176.119 176.300 -0.088 0.000 1.302 886 D CA -0.600 53.392 54.000 -0.013 0.000 0.897 886 D CB -0.213 40.630 40.800 0.071 0.000 1.420 886 D HN -0.338 nan 8.370 nan 0.000 0.494 887 M N 0.648 120.196 119.600 -0.088 0.000 2.771 887 M HA 0.470 4.955 4.480 0.008 0.000 0.341 887 M C 0.462 176.577 176.300 -0.307 0.000 1.226 887 M CA -0.288 54.889 55.300 -0.205 0.000 0.955 887 M CB 0.007 32.507 32.600 -0.167 0.000 1.318 887 M HN 0.602 nan 8.290 nan 0.000 0.514 888 G N -0.167 108.504 108.800 -0.214 0.000 3.008 888 G HA2 0.482 4.447 3.960 0.008 0.000 0.181 888 G HA3 0.482 4.447 3.960 0.008 0.000 0.181 888 G C 0.843 175.445 174.900 -0.496 0.000 1.309 888 G CA -0.288 44.551 45.100 -0.435 0.000 1.009 888 G HN 0.098 nan 8.290 nan 0.000 0.584 889 M N -0.199 118.972 119.600 -0.715 0.000 2.132 889 M HA 0.039 4.524 4.480 0.008 0.000 0.263 889 M C 2.482 178.846 176.300 0.107 0.000 1.065 889 M CA 1.253 56.390 55.300 -0.272 0.000 1.122 889 M CB -1.216 31.213 32.600 -0.286 0.000 1.365 889 M HN 0.620 nan 8.290 nan 0.000 0.411 890 M N 0.238 120.008 119.600 0.283 0.000 2.149 890 M HA -0.108 4.377 4.480 0.008 0.000 0.261 890 M C 1.915 178.315 176.300 0.166 0.000 1.064 890 M CA 2.097 57.559 55.300 0.271 0.000 1.102 890 M CB -0.536 32.105 32.600 0.069 0.000 1.369 890 M HN 0.259 nan 8.290 nan 0.000 0.408 891 G N 0.415 109.255 108.800 0.067 0.000 2.422 891 G HA2 -0.178 3.786 3.960 0.008 0.000 0.218 891 G HA3 -0.178 3.786 3.960 0.008 0.000 0.218 891 G C 1.284 176.197 174.900 0.022 0.000 1.140 891 G CA 0.650 45.755 45.100 0.008 0.000 0.775 891 G HN 0.410 nan 8.290 nan 0.000 0.545 892 L N 0.913 122.143 121.223 0.013 0.000 2.109 892 L HA 0.085 4.430 4.340 0.008 0.000 0.207 892 L C 2.425 179.438 176.870 0.239 0.000 1.086 892 L CA 1.120 56.011 54.840 0.085 0.000 0.760 892 L CB -0.548 41.551 42.059 0.066 0.000 0.910 892 L HN 0.087 nan 8.230 nan 0.000 0.437 893 N N -0.387 118.444 118.700 0.218 0.000 2.058 893 N HA -0.159 4.586 4.740 0.008 0.000 0.191 893 N C 1.688 177.342 175.510 0.241 0.000 1.037 893 N CA 1.298 54.491 53.050 0.239 0.000 0.848 893 N CB -0.153 38.464 38.487 0.216 0.000 1.021 893 N HN 0.289 nan 8.380 nan 0.000 0.422 894 E N 0.517 120.866 120.200 0.248 0.000 2.077 894 E HA -0.128 4.227 4.350 0.008 0.000 0.193 894 E C 1.895 178.595 176.600 0.167 0.000 0.989 894 E CA 0.386 56.944 56.400 0.263 0.000 0.800 894 E CB -0.745 29.180 29.700 0.375 0.000 0.746 894 E HN 0.395 nan 8.360 nan 0.000 0.452 895 F N 0.706 120.645 119.950 -0.018 0.000 2.069 895 F HA -0.304 4.227 4.527 0.008 0.000 0.298 895 F C 2.216 177.954 175.800 -0.103 0.000 1.113 895 F CA 1.692 59.594 58.000 -0.163 0.000 1.214 895 F CB -0.402 38.346 39.000 -0.419 0.000 0.978 895 F HN -0.006 nan 8.300 nan 0.000 0.474 896 Y N -0.116 120.159 120.300 -0.041 0.000 2.242 896 Y HA -0.164 4.391 4.550 0.008 0.000 0.291 896 Y C 2.667 178.563 175.900 -0.008 0.000 1.137 896 Y CA 1.335 59.399 58.100 -0.060 0.000 1.181 896 Y CB -0.563 37.934 38.460 0.063 0.000 0.989 896 Y HN 0.008 nan 8.280 nan 0.000 0.527 897 R N 0.156 120.757 120.500 0.168 0.000 2.133 897 R HA -0.229 4.116 4.340 0.008 0.000 0.247 897 R C 1.318 177.666 176.300 0.080 0.000 1.151 897 R CA 1.850 58.027 56.100 0.127 0.000 0.971 897 R CB -0.268 30.118 30.300 0.143 0.000 0.866 897 R HN 0.307 nan 8.270 nan 0.000 0.447 898 L N -1.484 119.762 121.223 0.038 0.000 2.388 898 L HA 0.096 4.441 4.340 0.008 0.000 0.209 898 L C 1.714 178.574 176.870 -0.017 0.000 1.061 898 L CA 0.507 55.362 54.840 0.024 0.000 0.834 898 L CB -0.506 41.571 42.059 0.030 0.000 1.029 898 L HN 0.067 nan 8.230 nan 0.000 0.473 899 F N 1.873 121.634 119.950 -0.314 0.000 2.087 899 F HA -0.292 4.240 4.527 0.008 0.000 0.299 899 F C 2.269 178.003 175.800 -0.110 0.000 1.100 899 F CA 2.225 60.004 58.000 -0.369 0.000 1.226 899 F CB -0.310 38.178 39.000 -0.852 0.000 0.983 899 F HN 0.171 nan 8.300 nan 0.000 0.479 900 I N -1.672 118.869 120.570 -0.049 0.000 3.010 900 I HA -0.190 3.985 4.170 0.008 0.000 0.271 900 I C 0.822 176.863 176.117 -0.127 0.000 1.293 900 I CA 1.469 62.709 61.300 -0.099 0.000 1.452 900 I CB -0.590 37.435 38.000 0.041 0.000 1.082 900 I HN 0.201 nan 8.210 nan 0.000 0.484 901 N N 0.405 119.051 118.700 -0.089 0.000 2.168 901 N HA 0.068 4.812 4.740 0.008 0.000 0.216 901 N C 0.947 176.493 175.510 0.059 0.000 1.259 901 N CA 0.181 53.217 53.050 -0.025 0.000 0.902 901 N CB 0.513 39.028 38.487 0.047 0.000 1.079 901 N HN 0.420 nan 8.380 nan 0.000 0.507 902 E N 0.145 120.379 120.200 0.058 0.000 2.526 902 E HA 0.125 4.480 4.350 0.008 0.000 0.208 902 E C 1.145 177.855 176.600 0.184 0.000 0.997 902 E CA 0.188 56.755 56.400 0.280 0.000 0.961 902 E CB 0.451 30.272 29.700 0.203 0.000 1.030 902 E HN 0.225 nan 8.360 nan 0.000 0.483 903 S N -0.234 115.380 115.700 -0.144 0.000 2.522 903 S HA 0.068 4.543 4.470 0.008 0.000 0.227 903 S C 1.602 176.158 174.600 -0.072 0.000 0.986 903 S CA 0.148 58.229 58.200 -0.198 0.000 0.929 903 S CB 0.090 62.854 63.200 -0.726 0.000 0.769 903 S HN -0.112 nan 8.310 nan 0.000 0.529 904 S N 1.090 116.720 115.700 -0.117 0.000 2.552 904 S HA 0.431 4.906 4.470 0.008 0.000 0.246 904 S C -0.777 173.709 174.600 -0.191 0.000 1.019 904 S CA -0.681 57.436 58.200 -0.137 0.000 1.045 904 S CB -0.206 62.889 63.200 -0.175 0.000 0.784 904 S HN 0.516 nan 8.310 nan 0.000 0.453 905 Y N 1.439 121.735 120.300 -0.006 0.000 2.458 905 Y HA 0.250 4.805 4.550 0.008 0.000 0.322 905 Y C 1.858 177.772 175.900 0.022 0.000 1.259 905 Y CA -0.669 57.432 58.100 0.002 0.000 1.302 905 Y CB 0.517 38.987 38.460 0.016 0.000 1.314 905 Y HN 0.037 nan 8.280 nan 0.000 0.509 906 Q N 0.622 120.543 119.800 0.202 0.000 2.135 906 Q HA -0.036 4.309 4.340 0.008 0.000 0.204 906 Q C 0.451 176.526 176.000 0.124 0.000 0.981 906 Q CA 1.301 57.177 55.803 0.122 0.000 0.856 906 Q CB -0.046 28.747 28.738 0.090 0.000 0.902 906 Q HN 0.835 nan 8.270 nan 0.000 0.425 907 G N -0.371 108.518 108.800 0.149 0.000 2.642 907 G HA2 0.562 4.527 3.960 0.008 0.000 0.293 907 G HA3 0.562 4.527 3.960 0.008 0.000 0.293 907 G C -2.070 172.918 174.900 0.147 0.000 1.341 907 G CA -0.555 44.620 45.100 0.125 0.000 0.916 907 G HN 0.030 nan 8.290 nan 0.000 0.474 908 L N 0.146 121.457 121.223 0.147 0.000 2.464 908 L HA 0.714 5.059 4.340 0.008 0.000 0.266 908 L C -1.237 175.727 176.870 0.156 0.000 0.965 908 L CA -0.720 54.215 54.840 0.159 0.000 0.833 908 L CB 1.859 44.036 42.059 0.197 0.000 1.296 908 L HN 0.477 nan 8.230 nan 0.000 0.405 909 I N 5.239 125.892 120.570 0.138 0.000 2.354 909 I HA 0.444 4.619 4.170 0.008 0.000 0.292 909 I C -0.714 175.426 176.117 0.039 0.000 0.989 909 I CA -0.899 60.479 61.300 0.130 0.000 1.188 909 I CB 1.914 40.044 38.000 0.217 0.000 1.342 909 I HN 0.287 nan 8.210 nan 0.000 0.457 910 V N 5.235 125.172 119.914 0.039 0.000 2.275 910 V HA 0.168 4.292 4.120 0.008 0.000 0.272 910 V C -0.307 175.760 176.094 -0.045 0.000 1.028 910 V CA -0.472 61.830 62.300 0.005 0.000 0.810 910 V CB 1.212 33.116 31.823 0.135 0.000 1.043 910 V HN 0.606 nan 8.190 nan 0.000 0.453 911 D N 4.156 124.496 120.400 -0.100 0.000 2.339 911 D HA 0.217 4.862 4.640 0.008 0.000 0.241 911 D C 0.585 176.871 176.300 -0.024 0.000 1.183 911 D CA -0.130 53.911 54.000 0.067 0.000 0.859 911 D CB 1.804 42.776 40.800 0.285 0.000 1.067 911 D HN 0.412 nan 8.370 nan 0.000 0.484 912 V N 1.910 121.806 119.914 -0.031 0.000 3.006 912 V HA 0.403 4.528 4.120 0.008 0.000 0.357 912 V C 0.744 176.823 176.094 -0.024 0.000 1.377 912 V CA -0.743 61.462 62.300 -0.158 0.000 1.198 912 V CB -0.709 30.982 31.823 -0.219 0.000 1.216 912 V HN 0.241 nan 8.190 nan 0.000 0.520 913 R N 0.446 121.025 120.500 0.131 0.000 2.623 913 R HA 0.421 4.766 4.340 0.008 0.000 0.271 913 R C 0.166 176.479 176.300 0.021 0.000 1.043 913 R CA 0.361 56.456 56.100 -0.009 0.000 1.083 913 R CB -0.029 30.264 30.300 -0.012 0.000 0.974 913 R HN 0.466 nan 8.270 nan 0.000 0.436 914 F N -1.378 118.529 119.950 -0.072 0.000 2.840 914 F HA -0.323 4.209 4.527 0.008 0.000 0.310 914 F C 0.622 176.350 175.800 -0.120 0.000 0.688 914 F CA 0.267 58.138 58.000 -0.215 0.000 1.286 914 F CB -1.353 37.114 39.000 -0.889 0.000 1.612 914 F HN 0.610 nan 8.300 nan 0.000 0.335 915 N N 1.997 120.726 118.700 0.049 0.000 2.438 915 N HA 0.139 4.884 4.740 0.008 0.000 0.267 915 N C 1.194 176.711 175.510 0.011 0.000 1.222 915 N CA 1.029 54.085 53.050 0.011 0.000 0.930 915 N CB 1.236 39.678 38.487 -0.076 0.000 1.083 915 N HN 0.390 nan 8.380 nan 0.000 0.476 916 G N 2.295 111.107 108.800 0.019 0.000 2.990 916 G HA2 0.248 4.213 3.960 0.008 0.000 0.206 916 G HA3 0.248 4.213 3.960 0.008 0.000 0.206 916 G C 0.869 175.774 174.900 0.010 0.000 1.169 916 G CA 0.394 45.489 45.100 -0.008 0.000 0.819 916 G HN 1.003 nan 8.290 nan 0.000 0.517 917 G N -1.395 107.424 108.800 0.031 0.000 2.698 917 G HA2 0.346 4.311 3.960 0.008 0.000 0.233 917 G HA3 0.346 4.311 3.960 0.008 0.000 0.233 917 G C 0.645 175.601 174.900 0.093 0.000 1.352 917 G CA 0.279 45.428 45.100 0.081 0.000 0.879 917 G HN 1.908 nan 8.290 nan 0.000 0.567 918 G N -2.910 105.979 108.800 0.149 0.000 1.930 918 G HA2 0.542 4.507 3.960 0.008 0.000 0.054 918 G HA3 0.542 4.507 3.960 0.008 0.000 0.054 918 G C 0.467 175.528 174.900 0.269 0.000 0.902 918 G CA 1.273 46.503 45.100 0.216 0.000 1.168 918 G HN 2.510 nan 8.290 nan 0.000 0.383 919 F N -0.895 119.068 119.950 0.021 0.000 3.266 919 F HA 0.401 4.933 4.527 0.008 0.000 0.360 919 F C 1.064 176.846 175.800 -0.031 0.000 1.242 919 F CA 0.848 58.839 58.000 -0.015 0.000 0.887 919 F CB -0.420 38.565 39.000 -0.026 0.000 1.656 919 F HN 0.954 nan 8.300 nan 0.000 0.491 920 V N -0.633 118.909 119.914 -0.620 0.000 3.514 920 V HA 0.219 4.344 4.120 0.008 0.000 0.301 920 V C 2.014 177.968 176.094 -0.232 0.000 1.346 920 V CA 0.792 62.821 62.300 -0.453 0.000 1.156 920 V CB -0.724 30.755 31.823 -0.572 0.000 1.029 920 V HN 0.438 nan 8.190 nan 0.000 0.428 921 S N 1.997 117.618 115.700 -0.132 0.000 2.370 921 S HA -0.364 4.111 4.470 0.008 0.000 0.226 921 S C 1.952 176.584 174.600 0.053 0.000 1.033 921 S CA 1.883 60.080 58.200 -0.005 0.000 1.011 921 S CB -0.719 62.560 63.200 0.132 0.000 0.852 921 S HN 0.901 nan 8.310 nan 0.000 0.457 922 Q N 1.512 121.336 119.800 0.041 0.000 2.084 922 Q HA -0.049 4.296 4.340 0.008 0.000 0.202 922 Q C 2.260 178.266 176.000 0.010 0.000 0.978 922 Q CA 1.600 57.435 55.803 0.054 0.000 0.844 922 Q CB -0.851 27.931 28.738 0.073 0.000 0.898 922 Q HN 0.588 nan 8.270 nan 0.000 0.426 923 L N 0.184 121.390 121.223 -0.029 0.000 2.131 923 L HA -0.106 4.239 4.340 0.008 0.000 0.210 923 L C 2.440 179.232 176.870 -0.129 0.000 1.092 923 L CA 0.850 55.666 54.840 -0.040 0.000 0.759 923 L CB -0.415 41.625 42.059 -0.031 0.000 0.903 923 L HN 0.277 nan 8.230 nan 0.000 0.435 924 I N -0.657 119.759 120.570 -0.256 0.000 2.277 924 I HA -0.213 3.962 4.170 0.008 0.000 0.243 924 I C 2.444 178.398 176.117 -0.271 0.000 1.094 924 I CA 0.638 61.609 61.300 -0.548 0.000 1.393 924 I CB -0.125 37.370 38.000 -0.842 0.000 1.078 924 I HN 0.116 nan 8.210 nan 0.000 0.417 925 I N 1.199 121.754 120.570 -0.026 0.000 2.248 925 I HA -0.331 3.844 4.170 0.008 0.000 0.248 925 I C 2.538 178.648 176.117 -0.012 0.000 1.107 925 I CA 1.737 63.059 61.300 0.037 0.000 1.373 925 I CB -0.962 37.068 38.000 0.050 0.000 1.055 925 I HN 0.427 nan 8.210 nan 0.000 0.418 926 E N 0.823 121.012 120.200 -0.018 0.000 2.077 926 E HA -0.277 4.078 4.350 0.008 0.000 0.193 926 E C 2.095 178.696 176.600 0.002 0.000 0.989 926 E CA 1.403 57.804 56.400 0.001 0.000 0.800 926 E CB 0.162 29.872 29.700 0.017 0.000 0.746 926 E HN 0.187 nan 8.360 nan 0.000 0.452 927 K N 0.464 120.845 120.400 -0.032 0.000 2.001 927 K HA -0.033 4.292 4.320 0.008 0.000 0.208 927 K C 2.035 178.670 176.600 0.059 0.000 1.048 927 K CA 1.034 57.314 56.287 -0.012 0.000 0.932 927 K CB -0.268 32.144 32.500 -0.147 0.000 0.715 927 K HN 0.158 nan 8.250 nan 0.000 0.437 928 L N 0.154 121.411 121.223 0.057 0.000 2.353 928 L HA -0.089 4.256 4.340 0.008 0.000 0.220 928 L C 2.194 179.101 176.870 0.063 0.000 1.133 928 L CA 0.585 55.511 54.840 0.142 0.000 0.798 928 L CB -0.327 41.840 42.059 0.182 0.000 0.922 928 L HN 0.257 nan 8.230 nan 0.000 0.445 929 M N -0.622 118.989 119.600 0.018 0.000 2.492 929 M HA -0.036 4.449 4.480 0.008 0.000 0.262 929 M C 0.421 176.726 176.300 0.008 0.000 1.090 929 M CA 0.549 55.841 55.300 -0.013 0.000 1.110 929 M CB -0.645 31.944 32.600 -0.019 0.000 1.407 929 M HN 0.281 nan 8.290 nan 0.000 0.470 930 N N 2.313 121.035 118.700 0.036 0.000 2.434 930 N HA -0.041 4.704 4.740 0.008 0.000 0.268 930 N C -0.104 175.419 175.510 0.023 0.000 1.256 930 N CA 0.278 53.343 53.050 0.025 0.000 0.914 930 N CB 0.512 39.023 38.487 0.040 0.000 1.088 930 N HN 0.133 nan 8.380 nan 0.000 0.478 931 K N 2.978 123.380 120.400 0.003 0.000 2.227 931 K HA 0.144 4.469 4.320 0.008 0.000 0.280 931 K C -0.215 176.383 176.600 -0.003 0.000 1.041 931 K CA -0.677 55.616 56.287 0.009 0.000 0.905 931 K CB 0.846 33.352 32.500 0.011 0.000 1.068 931 K HN 0.425 nan 8.250 nan 0.000 0.470 932 R N 5.416 125.915 120.500 -0.002 0.000 2.351 932 R HA 0.085 4.430 4.340 0.008 0.000 0.318 932 R C 0.757 177.063 176.300 0.010 0.000 1.055 932 R CA 0.189 56.268 56.100 -0.034 0.000 0.968 932 R CB 0.111 30.378 30.300 -0.054 0.000 0.974 932 R HN 0.808 nan 8.270 nan 0.000 0.439 933 I N 0.625 121.224 120.570 0.049 0.000 4.338 933 I HA 0.497 4.672 4.170 0.008 0.000 0.329 933 I C 0.325 176.504 176.117 0.103 0.000 1.378 933 I CA -0.446 60.909 61.300 0.091 0.000 1.170 933 I CB 1.192 39.261 38.000 0.114 0.000 1.206 933 I HN 0.566 nan 8.210 nan 0.000 0.432 934 G N -0.001 108.843 108.800 0.074 0.000 2.687 934 G HA2 0.649 4.614 3.960 0.008 0.000 0.291 934 G HA3 0.649 4.614 3.960 0.008 0.000 0.291 934 G C -2.291 172.540 174.900 -0.116 0.000 1.420 934 G CA -0.514 44.619 45.100 0.055 0.000 0.796 934 G HN 0.058 nan 8.290 nan 0.000 0.485 935 Y N -0.983 119.361 120.300 0.073 0.000 2.625 935 Y HA 0.537 5.092 4.550 0.008 0.000 0.338 935 Y C -1.175 174.747 175.900 0.037 0.000 1.123 935 Y CA -0.684 57.454 58.100 0.063 0.000 1.046 935 Y CB 2.923 41.405 38.460 0.037 0.000 1.299 935 Y HN 0.531 nan 8.280 nan 0.000 0.464 936 D N 1.153 121.693 120.400 0.232 0.000 2.391 936 D HA 0.255 4.900 4.640 0.008 0.000 0.245 936 D C -1.504 174.867 176.300 0.117 0.000 1.069 936 D CA -0.478 53.599 54.000 0.128 0.000 0.831 936 D CB 0.924 41.786 40.800 0.104 0.000 1.204 936 D HN 0.510 nan 8.370 nan 0.000 0.503 937 N N 3.839 122.582 118.700 0.072 0.000 2.469 937 N HA 0.418 5.163 4.740 0.008 0.000 0.253 937 N C -2.283 173.245 175.510 0.030 0.000 0.970 937 N CA -1.031 52.045 53.050 0.044 0.000 0.940 937 N CB 1.419 39.922 38.487 0.027 0.000 1.128 937 N HN 0.283 nan 8.380 nan 0.000 0.503 938 P HA 0.315 nan 4.420 nan 0.000 0.285 938 P C 0.267 177.573 177.300 0.010 0.000 1.269 938 P CA -0.513 62.598 63.100 0.019 0.000 0.844 938 P CB 1.968 33.681 31.700 0.021 0.000 1.094 939 R N 1.537 122.042 120.500 0.008 0.000 2.092 939 R HA -0.059 4.286 4.340 0.008 0.000 0.231 939 R C 0.900 177.201 176.300 0.002 0.000 1.119 939 R CA 1.460 57.562 56.100 0.004 0.000 0.970 939 R CB -0.166 30.137 30.300 0.004 0.000 0.864 939 R HN 0.636 nan 8.270 nan 0.000 0.440 940 R N -1.616 118.886 120.500 0.003 0.000 2.725 940 R HA 0.632 4.977 4.340 0.008 0.000 0.277 940 R C -0.360 175.941 176.300 0.003 0.000 0.987 940 R CA -0.531 55.569 56.100 0.001 0.000 0.901 940 R CB 1.649 31.949 30.300 0.001 0.000 1.207 940 R HN 0.200 nan 8.270 nan 0.000 0.463 941 G N 0.864 109.664 108.800 -0.001 0.000 2.472 941 G HA2 -0.089 3.876 3.960 0.008 0.000 0.205 941 G HA3 -0.089 3.876 3.960 0.008 0.000 0.205 941 G C -0.597 174.302 174.900 -0.002 0.000 1.270 941 G CA -0.336 44.764 45.100 -0.000 0.000 0.974 941 G HN 1.102 nan 8.290 nan 0.000 0.542 942 T N -1.702 112.854 114.554 0.002 0.000 2.910 942 T HA 0.753 5.108 4.350 0.008 0.000 0.287 942 T C 0.701 175.417 174.700 0.026 0.000 1.050 942 T CA -0.515 61.585 62.100 0.000 0.000 1.011 942 T CB 1.447 70.309 68.868 -0.010 0.000 1.195 942 T HN 1.033 nan 8.240 nan 0.000 0.540 943 L N 1.521 122.761 121.223 0.029 0.000 2.506 943 L HA 0.329 4.673 4.340 0.008 0.000 0.281 943 L C 0.431 177.408 176.870 0.177 0.000 1.228 943 L CA -0.212 54.691 54.840 0.106 0.000 0.850 943 L CB 0.410 42.504 42.059 0.058 0.000 1.110 943 L HN 0.698 nan 8.230 nan 0.000 0.496 944 S N 2.659 118.492 115.700 0.223 0.000 2.478 944 S HA 0.454 4.929 4.470 0.008 0.000 0.312 944 S C -2.355 172.321 174.600 0.127 0.000 1.094 944 S CA -1.083 57.208 58.200 0.151 0.000 1.081 944 S CB 1.888 65.148 63.200 0.099 0.000 1.007 944 S HN 0.420 nan 8.310 nan 0.000 0.475 945 P HA 0.242 nan 4.420 nan 0.000 0.278 945 P C -1.513 175.690 177.300 -0.162 0.000 1.238 945 P CA -0.399 62.484 63.100 -0.361 0.000 0.794 945 P CB 0.612 32.147 31.700 -0.276 0.000 0.955 946 Y N 3.688 123.795 120.300 -0.320 0.000 2.326 946 Y HA 0.459 5.014 4.550 0.008 0.000 0.329 946 Y C -2.676 173.151 175.900 -0.121 0.000 0.973 946 Y CA -2.670 55.341 58.100 -0.148 0.000 1.162 946 Y CB 1.719 40.117 38.460 -0.104 0.000 1.147 946 Y HN 0.263 nan 8.280 nan 0.000 0.456 947 P HA 0.174 nan 4.420 nan 0.000 0.274 947 P C 0.469 177.638 177.300 -0.219 0.000 1.246 947 P CA 0.030 62.777 63.100 -0.588 0.000 0.795 947 P CB 1.088 32.547 31.700 -0.402 0.000 1.006 948 T N -0.458 114.021 114.554 -0.124 0.000 2.746 948 T HA -0.119 4.236 4.350 0.008 0.000 0.267 948 T C 0.685 175.407 174.700 0.037 0.000 1.039 948 T CA 1.509 63.593 62.100 -0.026 0.000 1.142 948 T CB -0.957 67.919 68.868 0.013 0.000 0.866 948 T HN 0.491 nan 8.240 nan 0.000 0.444 949 N N 2.045 120.801 118.700 0.094 0.000 3.091 949 N HA 0.178 4.923 4.740 0.008 0.000 0.301 949 N C -0.588 175.111 175.510 0.314 0.000 1.325 949 N CA -0.487 52.741 53.050 0.297 0.000 1.143 949 N CB 0.249 38.920 38.487 0.306 0.000 1.450 949 N HN 0.304 nan 8.380 nan 0.000 0.542 950 S N -1.494 114.312 115.700 0.176 0.000 2.566 950 S HA 0.511 4.986 4.470 0.008 0.000 0.298 950 S C -0.125 174.559 174.600 0.139 0.000 1.083 950 S CA -0.857 57.433 58.200 0.150 0.000 0.978 950 S CB 1.804 65.014 63.200 0.017 0.000 1.073 950 S HN -0.139 nan 8.310 nan 0.000 0.491 951 V N 3.008 123.028 119.914 0.176 0.000 2.649 951 V HA 0.366 4.491 4.120 0.008 0.000 0.292 951 V C 1.798 177.944 176.094 0.086 0.000 1.055 951 V CA -0.491 61.895 62.300 0.144 0.000 1.023 951 V CB 1.167 33.114 31.823 0.207 0.000 0.992 951 V HN 1.056 nan 8.190 nan 0.000 0.480 952 R N 2.352 122.895 120.500 0.072 0.000 2.062 952 R HA 0.095 4.440 4.340 0.008 0.000 0.226 952 R C 1.066 177.418 176.300 0.087 0.000 1.125 952 R CA 1.341 57.487 56.100 0.075 0.000 0.966 952 R CB -0.046 30.295 30.300 0.068 0.000 0.861 952 R HN 0.884 nan 8.270 nan 0.000 0.433 953 G N 0.028 108.886 108.800 0.096 0.000 3.286 953 G HA2 0.257 4.222 3.960 0.008 0.000 0.166 953 G HA3 0.257 4.222 3.960 0.008 0.000 0.166 953 G C -1.114 173.839 174.900 0.090 0.000 1.155 953 G CA -0.612 44.541 45.100 0.088 0.000 0.871 953 G HN -0.026 nan 8.290 nan 0.000 0.637 954 K N 0.498 120.950 120.400 0.087 0.000 2.270 954 K HA 0.410 4.735 4.320 0.008 0.000 0.276 954 K C -0.382 176.293 176.600 0.126 0.000 1.023 954 K CA 0.079 56.419 56.287 0.087 0.000 0.955 954 K CB 1.434 33.976 32.500 0.070 0.000 0.975 954 K HN 0.299 nan 8.250 nan 0.000 0.471 955 I N 2.765 123.425 120.570 0.150 0.000 2.493 955 I HA 0.364 4.539 4.170 0.008 0.000 0.298 955 I C -0.169 176.127 176.117 0.298 0.000 0.998 955 I CA -1.025 60.421 61.300 0.244 0.000 1.137 955 I CB 1.607 39.800 38.000 0.322 0.000 1.310 955 I HN 0.275 nan 8.210 nan 0.000 0.445 956 I N 4.283 125.015 120.570 0.269 0.000 2.569 956 I HA 0.603 4.778 4.170 0.008 0.000 0.290 956 I C -0.761 175.391 176.117 0.059 0.000 1.088 956 I CA -0.396 61.023 61.300 0.199 0.000 1.047 956 I CB 1.835 39.917 38.000 0.137 0.000 1.237 956 I HN 0.689 nan 8.210 nan 0.000 0.421 957 A N 8.152 130.884 122.820 -0.147 0.000 2.324 957 A HA 0.838 5.162 4.320 0.008 0.000 0.330 957 A C -0.833 176.671 177.584 -0.133 0.000 1.165 957 A CA -0.561 51.249 52.037 -0.378 0.000 0.813 957 A CB 0.960 19.273 19.000 -1.145 0.000 1.197 957 A HN 0.589 nan 8.150 nan 0.000 0.484 958 I N 1.405 121.945 120.570 -0.050 0.000 2.436 958 I HA 0.537 4.712 4.170 0.008 0.000 0.289 958 I C 0.055 176.186 176.117 0.024 0.000 1.010 958 I CA -0.276 61.042 61.300 0.029 0.000 1.098 958 I CB 2.247 40.319 38.000 0.119 0.000 1.266 958 I HN 0.656 nan 8.210 nan 0.000 0.434 959 T N 4.309 118.867 114.554 0.006 0.000 2.864 959 T HA 0.624 4.978 4.350 0.008 0.000 0.299 959 T C -1.282 173.390 174.700 -0.047 0.000 1.166 959 T CA -0.587 61.507 62.100 -0.010 0.000 1.007 959 T CB 1.818 70.691 68.868 0.007 0.000 1.219 959 T HN 0.841 nan 8.240 nan 0.000 0.506 960 N N 0.514 119.151 118.700 -0.105 0.000 3.157 960 N HA 0.296 5.041 4.740 0.008 0.000 0.291 960 N C 0.560 175.957 175.510 -0.187 0.000 1.515 960 N CA -0.710 52.241 53.050 -0.164 0.000 0.807 960 N CB 0.341 38.678 38.487 -0.251 0.000 1.672 960 N HN 0.605 nan 8.380 nan 0.000 0.592 961 E N -0.619 119.394 120.200 -0.311 0.000 2.478 961 E HA -0.151 4.204 4.350 0.008 0.000 0.198 961 E C -0.040 176.357 176.600 -0.338 0.000 1.046 961 E CA 1.007 57.222 56.400 -0.309 0.000 0.870 961 E CB -0.505 28.962 29.700 -0.388 0.000 0.818 961 E HN 0.743 nan 8.360 nan 0.000 0.527 962 Y N 0.803 121.034 120.300 -0.113 0.000 2.457 962 Y HA 0.393 4.948 4.550 0.008 0.000 0.263 962 Y C 1.072 176.904 175.900 -0.115 0.000 1.164 962 Y CA -0.163 57.866 58.100 -0.119 0.000 1.274 962 Y CB 0.736 39.069 38.460 -0.211 0.000 1.097 962 Y HN 0.049 nan 8.280 nan 0.000 0.523 963 A N 0.795 123.625 122.820 0.017 0.000 2.274 963 A HA 0.755 5.080 4.320 0.008 0.000 0.309 963 A C 0.356 178.025 177.584 0.142 0.000 1.226 963 A CA 0.086 52.148 52.037 0.042 0.000 0.853 963 A CB 0.238 19.251 19.000 0.022 0.000 1.146 963 A HN 0.299 nan 8.150 nan 0.000 0.518 964 G N -0.078 108.810 108.800 0.148 0.000 2.684 964 G HA2 0.605 4.570 3.960 0.008 0.000 0.290 964 G HA3 0.605 4.570 3.960 0.008 0.000 0.290 964 G C 0.104 175.234 174.900 0.384 0.000 1.425 964 G CA 0.569 45.895 45.100 0.376 0.000 0.822 964 G HN 1.775 nan 8.290 nan 0.000 0.482 965 S N -0.859 115.244 115.700 0.672 0.000 4.150 965 S HA -0.364 4.110 4.470 0.008 0.000 0.575 965 S C 1.563 176.326 174.600 0.271 0.000 1.878 965 S CA 2.381 60.909 58.200 0.547 0.000 4.245 965 S CB -1.533 62.037 63.200 0.616 0.000 0.231 965 S HN 1.159 nan 8.310 nan 0.000 0.469 966 D N 0.831 121.347 120.400 0.194 0.000 2.309 966 D HA 0.078 4.723 4.640 0.008 0.000 0.212 966 D C 1.771 178.146 176.300 0.124 0.000 0.968 966 D CA 1.835 55.892 54.000 0.095 0.000 0.882 966 D CB -0.880 39.958 40.800 0.063 0.000 0.918 966 D HN 0.537 nan 8.370 nan 0.000 0.503 967 G N -0.291 108.598 108.800 0.147 0.000 2.448 967 G HA2 -0.206 3.758 3.960 0.008 0.000 0.218 967 G HA3 -0.206 3.758 3.960 0.008 0.000 0.218 967 G C 1.452 176.493 174.900 0.235 0.000 1.135 967 G CA 0.501 45.691 45.100 0.150 0.000 0.784 967 G HN 0.208 nan 8.290 nan 0.000 0.543 968 D N 0.641 121.194 120.400 0.254 0.000 2.103 968 D HA -0.025 4.620 4.640 0.008 0.000 0.199 968 D C 2.597 179.061 176.300 0.274 0.000 0.978 968 D CA 0.391 54.550 54.000 0.266 0.000 0.829 968 D CB -0.005 40.962 40.800 0.279 0.000 0.981 968 D HN 0.327 nan 8.370 nan 0.000 0.464 969 I N 0.468 121.155 120.570 0.195 0.000 2.179 969 I HA -0.259 3.916 4.170 0.008 0.000 0.242 969 I C 2.353 178.656 176.117 0.311 0.000 1.088 969 I CA 0.744 62.153 61.300 0.182 0.000 1.357 969 I CB -0.266 37.607 38.000 -0.211 0.000 1.051 969 I HN -0.091 nan 8.210 nan 0.000 0.409 970 F N 1.550 121.562 119.950 0.102 0.000 2.126 970 F HA -0.279 4.253 4.527 0.008 0.000 0.299 970 F C 2.644 178.524 175.800 0.133 0.000 1.096 970 F CA 1.962 60.017 58.000 0.092 0.000 1.255 970 F CB -0.313 38.693 39.000 0.009 0.000 0.997 970 F HN -0.062 nan 8.300 nan 0.000 0.479 971 S N 0.358 116.184 115.700 0.209 0.000 2.348 971 S HA -0.222 4.253 4.470 0.008 0.000 0.221 971 S C 1.833 176.443 174.600 0.017 0.000 1.033 971 S CA 1.494 59.743 58.200 0.082 0.000 1.010 971 S CB -0.962 62.334 63.200 0.159 0.000 0.891 971 S HN 0.521 nan 8.310 nan 0.000 0.442 972 F N 2.381 122.302 119.950 -0.049 0.000 2.126 972 F HA -0.164 4.367 4.527 0.008 0.000 0.299 972 F C 2.502 178.135 175.800 -0.278 0.000 1.096 972 F CA 1.412 59.285 58.000 -0.212 0.000 1.255 972 F CB -0.513 38.253 39.000 -0.389 0.000 0.997 972 F HN 0.090 nan 8.300 nan 0.000 0.479 973 S N 0.248 115.951 115.700 0.004 0.000 2.359 973 S HA -0.238 4.236 4.470 0.008 0.000 0.224 973 S C 1.849 176.343 174.600 -0.177 0.000 1.035 973 S CA 1.508 59.689 58.200 -0.031 0.000 1.018 973 S CB -0.909 62.339 63.200 0.079 0.000 0.876 973 S HN 0.490 nan 8.310 nan 0.000 0.448 974 F N 2.349 122.049 119.950 -0.416 0.000 2.120 974 F HA -0.200 4.332 4.527 0.008 0.000 0.300 974 F C 2.107 177.730 175.800 -0.296 0.000 1.095 974 F CA 1.573 59.329 58.000 -0.406 0.000 1.249 974 F CB -0.139 38.559 39.000 -0.503 0.000 0.995 974 F HN 0.101 nan 8.300 nan 0.000 0.480 975 K N -0.226 120.099 120.400 -0.124 0.000 2.007 975 K HA -0.196 4.129 4.320 0.008 0.000 0.206 975 K C 2.040 178.446 176.600 -0.323 0.000 1.047 975 K CA 1.465 57.623 56.287 -0.215 0.000 0.937 975 K CB -0.348 31.976 32.500 -0.294 0.000 0.718 975 K HN -0.008 nan 8.250 nan 0.000 0.438 976 K N 1.681 121.802 120.400 -0.465 0.000 2.089 976 K HA -0.140 4.185 4.320 0.008 0.000 0.210 976 K C 1.631 178.097 176.600 -0.223 0.000 1.048 976 K CA 1.456 57.512 56.287 -0.386 0.000 0.926 976 K CB -0.244 32.019 32.500 -0.395 0.000 0.714 976 K HN 0.087 nan 8.250 nan 0.000 0.448 977 L N -0.794 120.299 121.223 -0.215 0.000 2.591 977 L HA 0.211 4.556 4.340 0.008 0.000 0.228 977 L C 1.031 177.773 176.870 -0.212 0.000 1.133 977 L CA 0.256 54.989 54.840 -0.179 0.000 0.880 977 L CB -0.275 41.678 42.059 -0.177 0.000 1.033 977 L HN 0.504 nan 8.230 nan 0.000 0.450 978 G N 0.576 109.227 108.800 -0.248 0.000 2.273 978 G HA2 -0.289 3.676 3.960 0.008 0.000 0.280 978 G HA3 -0.289 3.676 3.960 0.008 0.000 0.280 978 G C 0.596 175.312 174.900 -0.307 0.000 1.047 978 G CA 0.149 45.112 45.100 -0.230 0.000 0.869 978 G HN 0.226 nan 8.290 nan 0.000 0.502 979 L N -0.473 120.412 121.223 -0.563 0.000 2.275 979 L HA 0.437 4.782 4.340 0.008 0.000 0.215 979 L C 1.867 178.398 176.870 -0.564 0.000 1.119 979 L CA 2.323 56.729 54.840 -0.723 0.000 0.790 979 L CB -0.455 40.820 42.059 -1.308 0.000 0.919 979 L HN 1.075 nan 8.230 nan 0.000 0.443 980 G N -2.472 106.090 108.800 -0.396 0.000 2.317 980 G HA2 0.169 4.134 3.960 0.008 0.000 0.293 980 G HA3 0.169 4.134 3.960 0.008 0.000 0.293 980 G C -1.371 173.666 174.900 0.227 0.000 1.287 980 G CA -0.919 44.218 45.100 0.063 0.000 0.850 980 G HN -0.289 nan 8.290 nan 0.000 0.515 981 K N -0.250 120.295 120.400 0.242 0.000 2.144 981 K HA 0.604 4.928 4.320 0.008 0.000 0.270 981 K C -0.726 175.988 176.600 0.191 0.000 1.005 981 K CA -0.672 55.724 56.287 0.181 0.000 0.932 981 K CB 1.862 34.446 32.500 0.139 0.000 1.021 981 K HN 0.415 nan 8.250 nan 0.000 0.462 982 L N 3.914 125.202 121.223 0.109 0.000 2.287 982 L HA 0.383 4.728 4.340 0.008 0.000 0.287 982 L C -0.978 175.902 176.870 0.016 0.000 1.022 982 L CA -0.514 54.337 54.840 0.017 0.000 0.814 982 L CB 0.735 42.791 42.059 -0.005 0.000 1.217 982 L HN 0.412 nan 8.230 nan 0.000 0.420 983 I N 4.332 124.911 120.570 0.015 0.000 2.562 983 I HA 0.917 5.092 4.170 0.008 0.000 0.301 983 I C 0.704 176.814 176.117 -0.012 0.000 1.003 983 I CA 0.394 61.703 61.300 0.015 0.000 1.127 983 I CB 1.567 39.632 38.000 0.108 0.000 1.304 983 I HN 0.771 nan 8.210 nan 0.000 0.446 984 G N 3.248 112.020 108.800 -0.046 0.000 2.204 984 G HA2 0.201 4.166 3.960 0.008 0.000 0.153 984 G HA3 0.201 4.166 3.960 0.008 0.000 0.153 984 G C -0.623 174.249 174.900 -0.047 0.000 1.295 984 G CA -0.113 44.966 45.100 -0.036 0.000 1.257 984 G HN 0.926 nan 8.290 nan 0.000 0.495 985 T N -2.045 112.481 114.554 -0.046 0.000 2.916 985 T HA 0.691 5.046 4.350 0.008 0.000 0.305 985 T C -0.076 174.582 174.700 -0.071 0.000 1.119 985 T CA 0.089 62.157 62.100 -0.055 0.000 1.008 985 T CB 2.421 71.260 68.868 -0.049 0.000 1.129 985 T HN 1.053 nan 8.240 nan 0.000 0.480 986 R N 1.762 122.210 120.500 -0.086 0.000 2.566 986 R HA 0.234 4.579 4.340 0.008 0.000 0.273 986 R C 0.683 176.929 176.300 -0.090 0.000 0.981 986 R CA 0.472 56.504 56.100 -0.114 0.000 1.091 986 R CB -0.009 30.161 30.300 -0.215 0.000 0.924 986 R HN 0.924 nan 8.270 nan 0.000 0.411 987 T N 1.370 115.904 114.554 -0.034 0.000 2.816 987 T HA -0.001 4.354 4.350 0.008 0.000 0.282 987 T C 0.957 175.749 174.700 0.152 0.000 0.993 987 T CA -0.446 61.691 62.100 0.063 0.000 0.994 987 T CB 0.652 69.599 68.868 0.131 0.000 1.025 987 T HN 0.835 nan 8.240 nan 0.000 0.529 988 W N 2.386 123.717 121.300 0.053 0.000 2.262 988 W HA -0.155 4.510 4.660 0.008 0.000 0.331 988 W C 1.787 178.468 176.519 0.270 0.000 1.315 988 W CA 2.919 60.366 57.345 0.170 0.000 1.302 988 W CB -1.064 28.521 29.460 0.209 0.000 1.128 988 W HN 1.491 nan 8.180 nan 0.000 0.482 989 G N -0.929 108.016 108.800 0.242 0.000 2.165 989 G HA2 -0.044 3.921 3.960 0.008 0.000 0.226 989 G HA3 -0.044 3.921 3.960 0.008 0.000 0.226 989 G C 0.147 175.068 174.900 0.035 0.000 1.035 989 G CA -0.015 45.142 45.100 0.095 0.000 0.744 989 G HN 1.086 nan 8.290 nan 0.000 0.501 990 G N -0.606 108.112 108.800 -0.137 0.000 2.866 990 G HA2 0.658 4.623 3.960 0.008 0.000 0.318 990 G HA3 0.658 4.623 3.960 0.008 0.000 0.318 990 G C 0.314 175.366 174.900 0.252 0.000 1.336 990 G CA 0.176 45.083 45.100 -0.322 0.000 1.067 990 G HN 1.615 nan 8.290 nan 0.000 0.515 991 V N 0.543 120.545 119.914 0.147 0.000 2.778 991 V HA 0.476 4.601 4.120 0.008 0.000 0.356 991 V C -0.530 175.565 176.094 0.001 0.000 1.283 991 V CA -0.702 61.670 62.300 0.121 0.000 1.247 991 V CB 0.477 32.354 31.823 0.089 0.000 1.408 991 V HN 0.220 nan 8.190 nan 0.000 0.620 992 V N 1.947 121.806 119.914 -0.090 0.000 2.325 992 V HA 0.780 4.905 4.120 0.008 0.000 0.280 992 V C 1.210 177.106 176.094 -0.330 0.000 1.016 992 V CA 0.175 62.341 62.300 -0.224 0.000 0.818 992 V CB 1.000 32.626 31.823 -0.328 0.000 1.019 992 V HN 0.639 nan 8.190 nan 0.000 0.434 993 G N 4.537 113.194 108.800 -0.238 0.000 2.651 993 G HA2 0.628 4.593 3.960 0.008 0.000 0.260 993 G HA3 0.628 4.593 3.960 0.008 0.000 0.260 993 G C -0.341 174.555 174.900 -0.007 0.000 1.216 993 G CA -0.321 44.611 45.100 -0.280 0.000 0.913 993 G HN 0.875 nan 8.290 nan 0.000 0.535 994 I N -3.823 116.724 120.570 -0.037 0.000 2.934 994 I HA 0.786 4.961 4.170 0.008 0.000 0.306 994 I C -0.844 175.305 176.117 0.052 0.000 1.110 994 I CA -0.952 60.406 61.300 0.096 0.000 1.019 994 I CB 2.752 40.762 38.000 0.016 0.000 1.227 994 I HN 0.323 nan 8.210 nan 0.000 0.434 995 T N 3.151 117.794 114.554 0.148 0.000 3.318 995 T HA 0.330 4.685 4.350 0.008 0.000 0.304 995 T C -2.565 172.173 174.700 0.063 0.000 1.051 995 T CA -0.544 61.582 62.100 0.044 0.000 1.546 995 T CB 0.489 69.370 68.868 0.020 0.000 0.875 995 T HN 0.565 nan 8.240 nan 0.000 0.578 996 P HA 0.272 nan 4.420 nan 0.000 0.269 996 P C 0.058 177.389 177.300 0.052 0.000 1.215 996 P CA -0.303 62.823 63.100 0.044 0.000 0.780 996 P CB 1.011 32.736 31.700 0.042 0.000 0.898 997 K N 0.455 120.910 120.400 0.091 0.000 2.586 997 K HA 0.327 4.652 4.320 0.008 0.000 0.198 997 K C 0.362 177.139 176.600 0.295 0.000 1.170 997 K CA -0.517 55.859 56.287 0.148 0.000 1.069 997 K CB 0.980 33.498 32.500 0.030 0.000 0.944 997 K HN 0.230 nan 8.250 nan 0.000 0.572 998 R N 0.968 121.589 120.500 0.202 0.000 2.698 998 R HA 0.451 4.796 4.340 0.008 0.000 0.275 998 R C -1.160 175.196 176.300 0.092 0.000 1.001 998 R CA -0.785 55.411 56.100 0.160 0.000 0.896 998 R CB 2.398 32.790 30.300 0.154 0.000 1.218 998 R HN 0.027 nan 8.270 nan 0.000 0.462 999 R N 1.837 122.379 120.500 0.069 0.000 2.803 999 R HA 0.498 4.843 4.340 0.008 0.000 0.276 999 R C -0.233 176.092 176.300 0.043 0.000 0.978 999 R CA -0.891 55.247 56.100 0.063 0.000 0.939 999 R CB 1.623 31.969 30.300 0.077 0.000 1.179 999 R HN 0.322 nan 8.270 nan 0.000 0.472 1000 L N 3.024 124.276 121.223 0.047 0.000 2.466 1000 L HA 0.191 4.536 4.340 0.008 0.000 0.257 1000 L C 2.137 179.028 176.870 0.035 0.000 1.189 1000 L CA -0.067 54.791 54.840 0.029 0.000 0.813 1000 L CB 0.436 42.511 42.059 0.027 0.000 1.118 1000 L HN 0.766 nan 8.230 nan 0.000 0.471 1001 I N -1.425 119.151 120.570 0.009 0.000 2.761 1001 I HA -0.226 3.948 4.170 0.008 0.000 0.266 1001 I C 1.221 177.346 176.117 0.014 0.000 1.239 1001 I CA 1.440 62.741 61.300 0.002 0.000 1.451 1001 I CB -0.466 37.511 38.000 -0.039 0.000 1.096 1001 I HN 0.770 nan 8.210 nan 0.000 0.465 1002 D N 0.487 120.905 120.400 0.030 0.000 2.395 1002 D HA 0.190 4.835 4.640 0.008 0.000 0.213 1002 D C 1.548 178.015 176.300 0.277 0.000 1.110 1002 D CA 0.496 54.541 54.000 0.076 0.000 0.835 1002 D CB 0.577 41.359 40.800 -0.030 0.000 0.965 1002 D HN 0.487 nan 8.370 nan 0.000 0.505 1003 G N 0.130 109.055 108.800 0.208 0.000 2.254 1003 G HA2 -0.263 3.702 3.960 0.008 0.000 0.225 1003 G HA3 -0.263 3.702 3.960 0.008 0.000 0.225 1003 G C 0.520 175.499 174.900 0.133 0.000 1.003 1003 G CA 0.111 45.320 45.100 0.181 0.000 0.622 1003 G HN 0.422 nan 8.290 nan 0.000 0.507 1004 T N 1.335 115.963 114.554 0.123 0.000 2.891 1004 T HA 0.363 4.718 4.350 0.008 0.000 0.296 1004 T C 0.367 175.123 174.700 0.094 0.000 1.025 1004 T CA 0.714 62.884 62.100 0.117 0.000 1.149 1004 T CB 1.905 70.830 68.868 0.095 0.000 1.007 1004 T HN 0.711 nan 8.240 nan 0.000 0.528 1005 V N 5.666 125.637 119.914 0.095 0.000 2.334 1005 V HA 0.362 4.487 4.120 0.008 0.000 0.281 1005 V C 0.157 176.297 176.094 0.077 0.000 1.016 1005 V CA -0.700 61.646 62.300 0.077 0.000 0.832 1005 V CB 0.940 32.802 31.823 0.066 0.000 0.999 1005 V HN 0.690 nan 8.190 nan 0.000 0.439 1006 L N 4.635 125.894 121.223 0.060 0.000 2.343 1006 L HA 0.716 5.061 4.340 0.008 0.000 0.275 1006 L C 0.591 177.477 176.870 0.027 0.000 1.056 1006 L CA -0.240 54.627 54.840 0.046 0.000 0.804 1006 L CB 2.097 44.168 42.059 0.021 0.000 1.203 1006 L HN 0.761 nan 8.230 nan 0.000 0.440 1007 T N -0.397 114.160 114.554 0.006 0.000 2.885 1007 T HA 0.687 5.042 4.350 0.008 0.000 0.285 1007 T C -0.631 174.005 174.700 -0.107 0.000 1.019 1007 T CA -0.911 61.166 62.100 -0.037 0.000 1.010 1007 T CB 2.028 70.870 68.868 -0.044 0.000 1.022 1007 T HN 0.452 nan 8.240 nan 0.000 0.466 1008 Q N 2.242 121.979 119.800 -0.105 0.000 2.337 1008 Q HA 0.457 4.802 4.340 0.008 0.000 0.270 1008 Q C -2.753 173.174 176.000 -0.120 0.000 1.043 1008 Q CA -2.146 53.570 55.803 -0.145 0.000 0.794 1008 Q CB 2.327 30.968 28.738 -0.162 0.000 1.281 1008 Q HN 0.499 nan 8.270 nan 0.000 0.446 1009 P HA -0.040 nan 4.420 nan 0.000 0.268 1009 P C -0.457 176.736 177.300 -0.178 0.000 1.282 1009 P CA 0.391 63.422 63.100 -0.116 0.000 0.880 1009 P CB 0.834 32.491 31.700 -0.072 0.000 0.971 1010 E N 2.468 122.536 120.200 -0.220 0.000 2.447 1010 E HA 0.097 4.452 4.350 0.008 0.000 0.204 1010 E C -0.464 175.674 176.600 -0.771 0.000 0.977 1010 E CA 0.100 56.195 56.400 -0.509 0.000 0.950 1010 E CB 0.234 29.527 29.700 -0.679 0.000 0.975 1010 E HN 0.295 nan 8.360 nan 0.000 0.496 1011 F N 1.037 120.898 119.950 -0.149 0.000 2.564 1011 F HA 0.478 5.010 4.527 0.008 0.000 0.368 1011 F C -0.182 175.475 175.800 -0.239 0.000 1.127 1011 F CA -1.014 56.901 58.000 -0.143 0.000 1.170 1011 F CB 1.254 40.184 39.000 -0.116 0.000 1.397 1011 F HN -0.092 nan 8.300 nan 0.000 0.493 1012 A N 3.040 125.677 122.820 -0.305 0.000 2.451 1012 A HA 0.274 4.599 4.320 0.008 0.000 0.266 1012 A C -0.576 176.973 177.584 -0.059 0.000 1.119 1012 A CA -0.136 51.579 52.037 -0.538 0.000 0.786 1012 A CB -0.265 17.776 19.000 -1.599 0.000 1.061 1012 A HN 0.610 nan 8.150 nan 0.000 0.503 1013 F N 2.946 122.838 119.950 -0.098 0.000 2.456 1013 F HA 0.420 4.952 4.527 0.008 0.000 0.358 1013 F C -0.071 175.713 175.800 -0.027 0.000 1.095 1013 F CA 0.190 58.138 58.000 -0.086 0.000 1.216 1013 F CB 0.537 39.412 39.000 -0.210 0.000 1.125 1013 F HN 0.674 nan 8.300 nan 0.000 0.549 1014 W N 8.399 129.183 121.300 -0.859 0.000 2.538 1014 W HA 0.479 5.144 4.660 0.008 0.000 0.322 1014 W C -1.960 174.160 176.519 -0.666 0.000 1.028 1014 W CA -1.038 55.852 57.345 -0.759 0.000 1.228 1014 W CB 0.893 29.848 29.460 -0.841 0.000 1.356 1014 W HN 0.358 nan 8.180 nan 0.000 0.452 1015 F N 5.538 124.987 119.950 -0.835 0.000 2.404 1015 F HA 0.412 4.944 4.527 0.008 0.000 0.339 1015 F C 1.040 176.046 175.800 -1.323 0.000 1.105 1015 F CA -1.188 56.377 58.000 -0.724 0.000 1.087 1015 F CB 1.173 39.744 39.000 -0.716 0.000 1.143 1015 F HN 0.212 nan 8.300 nan 0.000 0.491 1016 R N 3.559 123.701 120.500 -0.596 0.000 2.449 1016 R HA 0.037 4.382 4.340 0.008 0.000 0.296 1016 R C -0.763 175.336 176.300 -0.336 0.000 1.047 1016 R CA 0.281 56.001 56.100 -0.633 0.000 1.018 1016 R CB 0.059 30.341 30.300 -0.029 0.000 0.962 1016 R HN 0.772 nan 8.270 nan 0.000 0.428 1017 D N 2.444 122.645 120.400 -0.332 0.000 2.809 1017 D HA -0.197 4.448 4.640 0.008 0.000 0.234 1017 D C -0.247 175.967 176.300 -0.143 0.000 1.111 1017 D CA 1.275 55.187 54.000 -0.145 0.000 0.726 1017 D CB -1.318 39.456 40.800 -0.043 0.000 1.089 1017 D HN 0.689 nan 8.370 nan 0.000 0.436 1018 A N -1.669 120.973 122.820 -0.297 0.000 2.509 1018 A HA 0.533 4.858 4.320 0.008 0.000 0.169 1018 A C 1.597 178.968 177.584 -0.354 0.000 1.956 1018 A CA 1.116 53.008 52.037 -0.242 0.000 1.166 1018 A CB -0.249 18.607 19.000 -0.240 0.000 1.180 1018 A HN 1.459 nan 8.150 nan 0.000 0.406 1019 G N 0.287 108.662 108.800 -0.708 0.000 2.651 1019 G HA2 -0.344 3.620 3.960 0.008 0.000 0.315 1019 G HA3 -0.344 3.620 3.960 0.008 0.000 0.315 1019 G C 0.495 174.990 174.900 -0.676 0.000 1.258 1019 G CA 1.156 45.758 45.100 -0.830 0.000 1.002 1019 G HN 0.873 nan 8.290 nan 0.000 0.551 1020 F N 2.597 122.540 119.950 -0.011 0.000 2.695 1020 F HA 0.358 4.890 4.527 0.008 0.000 0.303 1020 F C 2.606 178.410 175.800 0.006 0.000 1.091 1020 F CA 0.643 58.640 58.000 -0.004 0.000 1.300 1020 F CB 0.124 39.135 39.000 0.018 0.000 1.071 1020 F HN 0.589 nan 8.300 nan 0.000 0.578 1021 G N 0.799 109.676 108.800 0.130 0.000 2.596 1021 G HA2 -0.300 3.665 3.960 0.008 0.000 0.223 1021 G HA3 -0.300 3.665 3.960 0.008 0.000 0.223 1021 G C 1.720 176.701 174.900 0.135 0.000 1.120 1021 G CA 1.632 46.786 45.100 0.090 0.000 0.752 1021 G HN 0.277 nan 8.290 nan 0.000 0.596 1022 V N 0.811 120.802 119.914 0.128 0.000 2.594 1022 V HA -0.046 4.079 4.120 0.008 0.000 0.253 1022 V C 1.394 177.622 176.094 0.223 0.000 1.069 1022 V CA 1.352 63.771 62.300 0.198 0.000 1.082 1022 V CB -0.496 31.416 31.823 0.149 0.000 0.680 1022 V HN 0.520 nan 8.190 nan 0.000 0.469 1023 E N 1.344 121.664 120.200 0.200 0.000 2.376 1023 E HA -0.013 4.342 4.350 0.008 0.000 0.266 1023 E C 0.687 177.448 176.600 0.269 0.000 1.009 1023 E CA 0.545 57.069 56.400 0.207 0.000 0.902 1023 E CB -0.708 29.077 29.700 0.142 0.000 0.972 1023 E HN 0.411 nan 8.360 nan 0.000 0.439 1024 N N 2.882 121.792 118.700 0.349 0.000 2.776 1024 N HA -0.312 4.433 4.740 0.008 0.000 0.249 1024 N C -0.844 174.733 175.510 0.113 0.000 1.111 1024 N CA 0.794 54.006 53.050 0.270 0.000 0.711 1024 N CB -0.631 38.044 38.487 0.314 0.000 1.065 1024 N HN 0.673 nan 8.380 nan 0.000 0.556 1025 Y N -1.213 119.075 120.300 -0.020 0.000 3.042 1025 Y HA 0.334 4.889 4.550 0.008 0.000 0.230 1025 Y C 0.938 176.832 175.900 -0.011 0.000 1.107 1025 Y CA 2.051 60.118 58.100 -0.055 0.000 1.346 1025 Y CB 0.425 38.883 38.460 -0.002 0.000 1.421 1025 Y HN 0.277 nan 8.280 nan 0.000 0.438 1026 G N 0.873 109.682 108.800 0.015 0.000 2.548 1026 G HA2 -0.010 3.955 3.960 0.008 0.000 0.208 1026 G HA3 -0.010 3.955 3.960 0.008 0.000 0.208 1026 G C -1.721 173.225 174.900 0.077 0.000 1.308 1026 G CA -0.547 44.550 45.100 -0.004 0.000 0.924 1026 G HN 0.673 nan 8.290 nan 0.000 0.540 1027 V N 1.233 121.188 119.914 0.068 0.000 2.444 1027 V HA 0.467 4.592 4.120 0.008 0.000 0.294 1027 V C -0.520 175.596 176.094 0.036 0.000 1.022 1027 V CA -0.928 61.454 62.300 0.138 0.000 0.850 1027 V CB 1.695 33.634 31.823 0.192 0.000 0.992 1027 V HN 0.687 nan 8.190 nan 0.000 0.426 1028 D N 6.700 127.141 120.400 0.068 0.000 2.351 1028 D HA 0.290 4.934 4.640 0.008 0.000 0.251 1028 D C -2.210 174.093 176.300 0.006 0.000 1.137 1028 D CA -0.781 53.236 54.000 0.028 0.000 0.879 1028 D CB 1.965 42.818 40.800 0.088 0.000 1.181 1028 D HN 0.331 nan 8.370 nan 0.000 0.448 1029 P HA 0.148 nan 4.420 nan 0.000 0.281 1029 P C 0.164 177.453 177.300 -0.019 0.000 1.249 1029 P CA -0.446 62.641 63.100 -0.021 0.000 0.810 1029 P CB 1.545 33.226 31.700 -0.032 0.000 1.008 1030 D N 0.099 120.493 120.400 -0.011 0.000 2.117 1030 D HA -0.047 4.598 4.640 0.008 0.000 0.197 1030 D C 0.437 176.731 176.300 -0.011 0.000 0.987 1030 D CA 1.591 55.589 54.000 -0.003 0.000 0.829 1030 D CB 0.100 40.912 40.800 0.020 0.000 0.961 1030 D HN 0.122 nan 8.370 nan 0.000 0.460 1031 V N 1.417 121.313 119.914 -0.030 0.000 2.407 1031 V HA 0.121 4.246 4.120 0.008 0.000 0.291 1031 V C 0.042 176.047 176.094 -0.149 0.000 1.018 1031 V CA -0.826 61.414 62.300 -0.100 0.000 0.842 1031 V CB 2.336 34.069 31.823 -0.149 0.000 0.996 1031 V HN -0.051 nan 8.190 nan 0.000 0.426 1032 E N 4.887 125.010 120.200 -0.129 0.000 2.223 1032 E HA 0.441 4.796 4.350 0.008 0.000 0.282 1032 E C -1.232 175.276 176.600 -0.154 0.000 1.046 1032 E CA -0.308 56.026 56.400 -0.110 0.000 0.857 1032 E CB 0.932 30.593 29.700 -0.064 0.000 1.055 1032 E HN 0.634 nan 8.360 nan 0.000 0.409 1033 I N 5.123 125.608 120.570 -0.142 0.000 2.521 1033 I HA 0.114 4.289 4.170 0.008 0.000 0.277 1033 I C 0.069 176.148 176.117 -0.064 0.000 1.054 1033 I CA -0.545 60.665 61.300 -0.152 0.000 1.117 1033 I CB 1.303 39.161 38.000 -0.238 0.000 1.217 1033 I HN 0.359 nan 8.210 nan 0.000 0.469 1034 E N 3.547 123.746 120.200 -0.002 0.000 2.418 1034 E HA -0.018 4.337 4.350 0.008 0.000 0.261 1034 E C -1.089 175.530 176.600 0.030 0.000 1.070 1034 E CA 0.248 56.698 56.400 0.084 0.000 0.931 1034 E CB 1.055 30.883 29.700 0.213 0.000 0.954 1034 E HN 0.302 nan 8.360 nan 0.000 0.439 1035 Y N 0.996 121.243 120.300 -0.090 0.000 2.863 1035 Y HA 0.372 4.927 4.550 0.008 0.000 0.348 1035 Y C -0.084 175.614 175.900 -0.337 0.000 1.028 1035 Y CA -0.938 57.019 58.100 -0.238 0.000 1.213 1035 Y CB 0.173 38.516 38.460 -0.194 0.000 1.120 1035 Y HN 0.490 nan 8.280 nan 0.000 0.598 1036 A N 5.479 128.157 122.820 -0.237 0.000 2.327 1036 A HA 0.372 4.696 4.320 0.008 0.000 0.255 1036 A C -1.585 175.661 177.584 -0.564 0.000 1.099 1036 A CA -1.147 50.481 52.037 -0.681 0.000 0.801 1036 A CB 0.195 18.771 19.000 -0.708 0.000 1.062 1036 A HN 0.534 nan 8.150 nan 0.000 0.496 1037 P HA -0.147 nan 4.420 nan 0.000 0.217 1037 P C 0.668 177.773 177.300 -0.325 0.000 1.150 1037 P CA 1.989 64.743 63.100 -0.576 0.000 0.832 1037 P CB -0.196 30.733 31.700 -1.285 0.000 0.787 1038 H N -2.623 116.400 119.070 -0.078 0.000 2.524 1038 H HA 0.011 4.571 4.556 0.008 0.000 0.282 1038 H C 1.363 176.728 175.328 0.061 0.000 1.016 1038 H CA 0.852 56.964 56.048 0.106 0.000 1.270 1038 H CB -1.134 28.783 29.762 0.258 0.000 1.394 1038 H HN 0.078 nan 8.280 nan 0.000 0.568 1039 D N 0.746 121.012 120.400 -0.223 0.000 2.123 1039 D HA -0.140 4.505 4.640 0.008 0.000 0.200 1039 D C 1.487 177.761 176.300 -0.044 0.000 0.976 1039 D CA 1.120 55.029 54.000 -0.152 0.000 0.831 1039 D CB -0.292 40.320 40.800 -0.314 0.000 0.974 1039 D HN 0.487 nan 8.370 nan 0.000 0.469 1040 Y N 0.964 121.286 120.300 0.037 0.000 2.242 1040 Y HA -0.040 4.515 4.550 0.008 0.000 0.291 1040 Y C 2.502 178.392 175.900 -0.016 0.000 1.137 1040 Y CA 0.403 58.506 58.100 0.006 0.000 1.181 1040 Y CB -0.271 38.095 38.460 -0.155 0.000 0.989 1040 Y HN -0.086 nan 8.280 nan 0.000 0.527 1041 L N -0.476 120.824 121.223 0.128 0.000 2.191 1041 L HA -0.190 4.155 4.340 0.008 0.000 0.212 1041 L C 2.194 179.122 176.870 0.096 0.000 1.103 1041 L CA 1.595 56.497 54.840 0.104 0.000 0.769 1041 L CB -0.514 41.626 42.059 0.135 0.000 0.908 1041 L HN 0.279 nan 8.230 nan 0.000 0.438 1042 S N -1.049 114.705 115.700 0.091 0.000 2.575 1042 S HA 0.154 4.629 4.470 0.008 0.000 0.215 1042 S C 1.410 176.036 174.600 0.044 0.000 0.966 1042 S CA 0.240 58.481 58.200 0.069 0.000 0.911 1042 S CB 0.327 63.569 63.200 0.070 0.000 0.780 1042 S HN 0.472 nan 8.310 nan 0.000 0.514 1043 G N 1.593 110.425 108.800 0.053 0.000 2.273 1043 G HA2 -0.298 3.667 3.960 0.008 0.000 0.280 1043 G HA3 -0.298 3.667 3.960 0.008 0.000 0.280 1043 G C -0.260 174.635 174.900 -0.007 0.000 1.047 1043 G CA 0.623 45.746 45.100 0.038 0.000 0.869 1043 G HN 0.809 nan 8.290 nan 0.000 0.502 1044 K N 0.043 120.425 120.400 -0.030 0.000 2.378 1044 K HA 0.468 4.793 4.320 0.008 0.000 0.252 1044 K C -1.521 174.955 176.600 -0.206 0.000 0.931 1044 K CA -0.990 55.236 56.287 -0.102 0.000 0.794 1044 K CB 1.405 33.856 32.500 -0.082 0.000 1.181 1044 K HN -0.024 nan 8.250 nan 0.000 0.425 1045 D N 6.171 126.426 120.400 -0.242 0.000 2.456 1045 D HA 0.159 4.804 4.640 0.008 0.000 0.219 1045 D C -1.509 174.549 176.300 -0.403 0.000 1.126 1045 D CA -2.409 51.366 54.000 -0.375 0.000 0.890 1045 D CB 1.596 42.310 40.800 -0.143 0.000 1.025 1045 D HN 0.347 nan 8.370 nan 0.000 0.511 1046 P HA -0.151 nan 4.420 nan 0.000 0.219 1046 P C 1.119 178.301 177.300 -0.195 0.000 1.150 1046 P CA 0.993 63.886 63.100 -0.345 0.000 0.814 1046 P CB 0.666 32.121 31.700 -0.409 0.000 0.787 1047 Q N -0.431 119.218 119.800 -0.252 0.000 2.046 1047 Q HA -0.056 4.289 4.340 0.008 0.000 0.200 1047 Q C 2.417 178.453 176.000 0.060 0.000 0.975 1047 Q CA 1.006 56.778 55.803 -0.051 0.000 0.836 1047 Q CB -0.491 28.246 28.738 -0.001 0.000 0.896 1047 Q HN 0.228 nan 8.270 nan 0.000 0.428 1048 I N 0.574 121.167 120.570 0.039 0.000 2.439 1048 I HA -0.246 3.929 4.170 0.008 0.000 0.251 1048 I C 1.152 177.332 176.117 0.105 0.000 1.139 1048 I CA 0.977 62.331 61.300 0.090 0.000 1.438 1048 I CB 0.097 38.124 38.000 0.046 0.000 1.085 1048 I HN 0.183 nan 8.210 nan 0.000 0.427 1049 D N -0.037 120.412 120.400 0.082 0.000 2.117 1049 D HA -0.255 4.390 4.640 0.008 0.000 0.197 1049 D C 1.825 178.171 176.300 0.076 0.000 0.987 1049 D CA 1.358 55.414 54.000 0.094 0.000 0.829 1049 D CB -0.302 40.537 40.800 0.065 0.000 0.961 1049 D HN 0.424 nan 8.370 nan 0.000 0.460 1050 Y N 1.363 121.656 120.300 -0.011 0.000 2.200 1050 Y HA -0.131 4.424 4.550 0.008 0.000 0.290 1050 Y C 2.224 178.131 175.900 0.011 0.000 1.137 1050 Y CA 1.607 59.703 58.100 -0.006 0.000 1.163 1050 Y CB -0.252 38.198 38.460 -0.017 0.000 0.988 1050 Y HN -0.055 nan 8.280 nan 0.000 0.518 1051 A N 0.613 123.532 122.820 0.165 0.000 1.883 1051 A HA -0.215 4.110 4.320 0.008 0.000 0.217 1051 A C 2.256 179.838 177.584 -0.002 0.000 1.186 1051 A CA 2.232 54.332 52.037 0.104 0.000 0.624 1051 A CB -1.169 17.918 19.000 0.145 0.000 0.822 1051 A HN 0.570 nan 8.150 nan 0.000 0.444 1052 I N -0.219 120.350 120.570 -0.002 0.000 2.142 1052 I HA -0.240 3.935 4.170 0.008 0.000 0.240 1052 I C 2.015 178.076 176.117 -0.092 0.000 1.078 1052 I CA 1.573 62.850 61.300 -0.039 0.000 1.343 1052 I CB -0.650 37.319 38.000 -0.051 0.000 1.046 1052 I HN 0.249 nan 8.210 nan 0.000 0.405 1053 D N 1.290 121.611 120.400 -0.132 0.000 2.116 1053 D HA -0.197 4.448 4.640 0.008 0.000 0.193 1053 D C 2.251 178.416 176.300 -0.225 0.000 0.998 1053 D CA 1.770 55.667 54.000 -0.171 0.000 0.836 1053 D CB -0.295 40.393 40.800 -0.188 0.000 0.951 1053 D HN 0.380 nan 8.370 nan 0.000 0.449 1054 A N 0.718 123.321 122.820 -0.361 0.000 1.908 1054 A HA -0.144 4.181 4.320 0.008 0.000 0.218 1054 A C 2.444 179.947 177.584 -0.135 0.000 1.181 1054 A CA 1.014 52.857 52.037 -0.324 0.000 0.627 1054 A CB -0.818 17.934 19.000 -0.413 0.000 0.818 1054 A HN 0.214 nan 8.150 nan 0.000 0.445 1055 L N -0.657 120.516 121.223 -0.084 0.000 2.056 1055 L HA -0.151 4.194 4.340 0.008 0.000 0.207 1055 L C 2.490 179.343 176.870 -0.029 0.000 1.078 1055 L CA 1.102 55.927 54.840 -0.025 0.000 0.749 1055 L CB -0.440 41.624 42.059 0.008 0.000 0.901 1055 L HN 0.402 nan 8.230 nan 0.000 0.433 1056 I N -0.215 120.325 120.570 -0.050 0.000 2.163 1056 I HA -0.318 3.856 4.170 0.008 0.000 0.243 1056 I C 2.562 178.655 176.117 -0.040 0.000 1.085 1056 I CA 1.315 62.589 61.300 -0.043 0.000 1.347 1056 I CB -0.227 37.739 38.000 -0.057 0.000 1.044 1056 I HN 0.266 nan 8.210 nan 0.000 0.408 1057 E N 1.367 121.532 120.200 -0.058 0.000 2.077 1057 E HA -0.234 4.121 4.350 0.008 0.000 0.193 1057 E C 1.948 178.531 176.600 -0.028 0.000 0.989 1057 E CA 1.505 57.877 56.400 -0.047 0.000 0.800 1057 E CB -0.068 29.593 29.700 -0.066 0.000 0.746 1057 E HN 0.437 nan 8.360 nan 0.000 0.452 1058 E N -0.907 119.279 120.200 -0.024 0.000 2.274 1058 E HA -0.083 4.272 4.350 0.008 0.000 0.194 1058 E C -0.205 176.397 176.600 0.003 0.000 0.996 1058 E CA 0.118 56.514 56.400 -0.005 0.000 0.840 1058 E CB 0.131 29.834 29.700 0.005 0.000 0.772 1058 E HN 0.125 nan 8.360 nan 0.000 0.491 1059 L N 1.560 122.784 121.223 0.001 0.000 2.449 1059 L HA 0.157 4.502 4.340 0.008 0.000 0.255 1059 L C 0.068 176.939 176.870 0.002 0.000 1.167 1059 L CA 0.440 55.285 54.840 0.008 0.000 1.090 1059 L CB 0.292 42.360 42.059 0.015 0.000 1.385 1059 L HN -0.113 nan 8.230 nan 0.000 0.411 1060 R N 1.190 121.691 120.500 0.002 0.000 2.579 1060 R HA 0.374 4.719 4.340 0.008 0.000 0.386 1060 R C -0.680 175.621 176.300 0.002 0.000 1.065 1060 R CA -0.199 55.900 56.100 -0.001 0.000 1.143 1060 R CB 0.471 30.767 30.300 -0.005 0.000 1.357 1060 R HN 0.390 nan 8.270 nan 0.000 0.644 1061 N N 0.000 118.703 118.700 0.005 0.000 1.763 1061 N HA 0.000 4.745 4.740 0.008 0.000 0.220 1061 N CA 0.000 53.054 53.050 0.006 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