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 1n6d_1_A 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 0.000 176.277 176.300 -0.039 0.000 1.140 39 M CA 0.000 55.276 55.300 -0.040 0.000 0.988 39 M CB 0.000 32.573 32.600 -0.045 0.000 1.302 40 P HA 0.380 nan 4.420 nan 0.000 0.276 40 P C -0.948 176.319 177.300 -0.055 0.000 1.261 40 P CA -0.200 62.864 63.100 -0.060 0.000 0.800 40 P CB 0.927 32.584 31.700 -0.071 0.000 1.066 41 N N -0.447 118.209 118.700 -0.073 0.000 2.495 41 N HA 0.448 5.186 4.740 -0.003 0.000 0.294 41 N C -0.736 174.737 175.510 -0.061 0.000 1.276 41 N CA -0.446 52.571 53.050 -0.055 0.000 0.973 41 N CB -0.092 38.347 38.487 -0.080 0.000 1.143 41 N HN 0.282 nan 8.380 nan 0.000 0.589 42 L N 1.123 122.327 121.223 -0.033 0.000 2.301 42 L HA 0.467 4.805 4.340 -0.003 0.000 0.278 42 L C -1.478 175.384 176.870 -0.013 0.000 1.022 42 L CA -0.216 54.601 54.840 -0.038 0.000 0.854 42 L CB 0.032 42.079 42.059 -0.020 0.000 1.226 42 L HN 0.351 nan 8.230 nan 0.000 0.429 43 L N 5.791 126.982 121.223 -0.054 0.000 2.399 43 L HA 0.729 5.067 4.340 -0.003 0.000 0.266 43 L C -0.705 176.176 176.870 0.019 0.000 1.114 43 L CA -0.842 53.988 54.840 -0.017 0.000 0.804 43 L CB 1.256 43.169 42.059 -0.242 0.000 1.146 43 L HN 0.568 nan 8.230 nan 0.000 0.451 44 L N -1.160 120.130 121.223 0.111 0.000 2.947 44 L HA 0.367 4.704 4.340 -0.003 0.000 0.267 44 L C -0.639 176.268 176.870 0.063 0.000 1.004 44 L CA -1.037 53.849 54.840 0.077 0.000 0.937 44 L CB 1.317 43.413 42.059 0.062 0.000 1.496 44 L HN 0.608 nan 8.230 nan 0.000 0.409 45 N N -0.535 118.121 118.700 -0.072 0.000 2.667 45 N HA -0.144 4.594 4.740 -0.003 0.000 0.263 45 N C -2.530 172.889 175.510 -0.152 0.000 1.038 45 N CA 0.529 53.246 53.050 -0.554 0.000 0.749 45 N CB -1.046 36.952 38.487 -0.816 0.000 0.892 45 N HN 0.718 nan 8.380 nan 0.000 0.546 46 P HA 0.335 nan 4.420 nan 0.000 0.281 46 P C -0.714 176.837 177.300 0.418 0.000 1.281 46 P CA 0.178 63.466 63.100 0.315 0.000 0.811 46 P CB 1.370 33.218 31.700 0.247 0.000 1.154 47 D N -0.476 120.159 120.400 0.393 0.000 2.756 47 D HA 0.531 5.169 4.640 -0.003 0.000 0.226 47 D C -1.391 175.220 176.300 0.517 0.000 1.186 47 D CA -0.619 53.645 54.000 0.440 0.000 0.845 47 D CB 1.657 42.703 40.800 0.411 0.000 1.610 47 D HN 0.250 nan 8.370 nan 0.000 0.465 48 I N 1.779 122.624 120.570 0.459 0.000 2.846 48 I HA 0.603 4.771 4.170 -0.003 0.000 0.307 48 I C -1.579 174.642 176.117 0.172 0.000 1.053 48 I CA -0.779 60.722 61.300 0.335 0.000 1.050 48 I CB 1.760 39.877 38.000 0.195 0.000 1.239 48 I HN 0.541 nan 8.210 nan 0.000 0.439 49 H N 4.675 123.626 119.070 -0.198 0.000 3.288 49 H HA 0.437 4.991 4.556 -0.003 0.000 0.337 49 H C -0.113 175.049 175.328 -0.277 0.000 1.363 49 H CA 0.465 56.248 56.048 -0.441 0.000 1.641 49 H CB 0.555 29.598 29.762 -1.199 0.000 2.077 49 H HN 0.949 nan 8.280 nan 0.000 0.522 50 G N 3.687 112.262 108.800 -0.376 0.000 2.565 50 G HA2 -0.381 3.576 3.960 -0.003 0.000 0.295 50 G HA3 -0.381 3.576 3.960 -0.003 0.000 0.295 50 G C 0.716 175.573 174.900 -0.073 0.000 1.165 50 G CA 0.662 45.629 45.100 -0.222 0.000 0.977 50 G HN 0.571 nan 8.290 nan 0.000 0.546 51 D N 1.466 121.857 120.400 -0.015 0.000 2.327 51 D HA 0.099 4.737 4.640 -0.003 0.000 0.205 51 D C 1.569 177.932 176.300 0.106 0.000 0.989 51 D CA 0.322 54.347 54.000 0.041 0.000 0.873 51 D CB 0.090 40.917 40.800 0.045 0.000 0.955 51 D HN 0.392 nan 8.370 nan 0.000 0.515 52 R N 0.671 121.239 120.500 0.113 0.000 2.490 52 R HA 0.498 4.836 4.340 -0.003 0.000 0.280 52 R C 0.035 176.516 176.300 0.301 0.000 1.077 52 R CA 0.127 56.358 56.100 0.219 0.000 1.065 52 R CB 1.414 31.856 30.300 0.236 0.000 1.003 52 R HN -0.040 nan 8.270 nan 0.000 0.470 53 I N 4.717 125.540 120.570 0.422 0.000 2.529 53 I HA 0.244 4.412 4.170 -0.003 0.000 0.284 53 I C 0.022 176.467 176.117 0.546 0.000 1.088 53 I CA -0.645 60.937 61.300 0.470 0.000 1.062 53 I CB 1.589 39.773 38.000 0.307 0.000 1.218 53 I HN 0.527 nan 8.210 nan 0.000 0.442 54 I N 4.209 125.080 120.570 0.501 0.000 2.499 54 I HA 0.770 4.938 4.170 -0.003 0.000 0.296 54 I C -0.808 175.522 176.117 0.355 0.000 0.992 54 I CA -0.235 61.225 61.300 0.267 0.000 1.297 54 I CB 1.386 39.332 38.000 -0.090 0.000 1.410 54 I HN 0.506 nan 8.210 nan 0.000 0.507 55 F N 2.656 122.688 119.950 0.136 0.000 2.773 55 F HA 0.762 5.287 4.527 -0.003 0.000 0.314 55 F C -1.771 174.105 175.800 0.127 0.000 1.160 55 F CA -1.182 56.877 58.000 0.098 0.000 0.920 55 F CB 0.901 39.936 39.000 0.059 0.000 1.323 55 F HN 0.233 nan 8.300 nan 0.000 0.457 56 V N 1.563 121.592 119.914 0.193 0.000 2.472 56 V HA 0.612 4.730 4.120 -0.003 0.000 0.290 56 V C -0.659 175.568 176.094 0.222 0.000 1.037 56 V CA -0.600 61.782 62.300 0.137 0.000 0.908 56 V CB 1.222 33.130 31.823 0.141 0.000 0.985 56 V HN 1.063 nan 8.190 nan 0.000 0.454 57 C N 4.808 124.222 119.300 0.190 0.000 2.642 57 C HA 0.537 4.995 4.460 -0.003 0.000 0.344 57 C C 0.577 175.740 174.990 0.288 0.000 1.110 57 C CA -0.527 58.571 59.018 0.133 0.000 1.298 57 C CB -0.199 27.376 27.740 -0.275 0.000 1.827 57 C HN 1.178 nan 8.230 nan 0.000 0.467 58 C N 6.049 125.485 119.300 0.226 0.000 4.167 58 C HA -0.093 4.365 4.460 -0.003 0.000 0.302 58 C C 0.779 175.896 174.990 0.211 0.000 1.384 58 C CA 1.470 60.627 59.018 0.232 0.000 2.041 58 C CB -2.775 25.116 27.740 0.253 0.000 1.303 58 C HN 1.169 nan 8.230 nan 0.000 0.718 59 D N -1.962 118.561 120.400 0.205 0.000 2.808 59 D HA -0.153 4.485 4.640 -0.003 0.000 0.195 59 D C -0.026 176.304 176.300 0.050 0.000 1.057 59 D CA 2.351 56.412 54.000 0.102 0.000 1.026 59 D CB -0.682 40.159 40.800 0.069 0.000 1.115 59 D HN 0.724 nan 8.370 nan 0.000 0.421 60 D N -0.190 120.272 120.400 0.103 0.000 2.332 60 D HA 0.463 5.101 4.640 -0.003 0.000 0.252 60 D C 0.458 176.773 176.300 0.025 0.000 1.050 60 D CA -0.535 53.465 54.000 -0.001 0.000 0.970 60 D CB 0.984 41.733 40.800 -0.084 0.000 1.141 60 D HN 0.010 nan 8.370 nan 0.000 0.485 61 L N 1.275 122.399 121.223 -0.166 0.000 2.289 61 L HA 0.367 4.705 4.340 -0.003 0.000 0.285 61 L C -1.208 175.465 176.870 -0.327 0.000 1.049 61 L CA -0.512 54.218 54.840 -0.184 0.000 0.804 61 L CB 0.606 42.518 42.059 -0.246 0.000 1.195 61 L HN 0.340 nan 8.230 nan 0.000 0.428 62 W N 3.161 124.111 121.300 -0.583 0.000 2.820 62 W HA 0.523 5.181 4.660 -0.004 0.000 0.350 62 W C -0.393 175.843 176.519 -0.473 0.000 1.116 62 W CA -0.490 56.486 57.345 -0.614 0.000 1.146 62 W CB 1.220 30.108 29.460 -0.953 0.000 1.433 62 W HN 0.340 nan 8.180 nan 0.000 0.561 63 E N 1.480 121.745 120.200 0.109 0.000 2.248 63 E HA 0.242 4.590 4.350 -0.003 0.000 0.267 63 E C -1.557 175.281 176.600 0.396 0.000 0.877 63 E CA -0.586 55.956 56.400 0.236 0.000 0.759 63 E CB 1.483 31.284 29.700 0.168 0.000 1.182 63 E HN 0.480 nan 8.360 nan 0.000 0.418 64 H N 3.135 122.430 119.070 0.376 0.000 2.600 64 H HA 0.284 4.838 4.556 -0.004 0.000 0.357 64 H C -1.723 173.731 175.328 0.211 0.000 1.106 64 H CA -0.642 55.592 56.048 0.310 0.000 1.193 64 H CB 1.948 31.906 29.762 0.328 0.000 1.594 64 H HN 0.624 nan 8.280 nan 0.000 0.526 65 D N 5.028 125.437 120.400 0.015 0.000 2.460 65 D HA 0.170 4.808 4.640 -0.003 0.000 0.232 65 D C 1.246 177.643 176.300 0.161 0.000 1.079 65 D CA -0.466 53.605 54.000 0.118 0.000 0.864 65 D CB 0.587 41.406 40.800 0.033 0.000 1.048 65 D HN 0.539 nan 8.370 nan 0.000 0.523 66 L N 2.976 124.377 121.223 0.296 0.000 2.051 66 L HA -0.234 4.104 4.340 -0.003 0.000 0.214 66 L C 2.417 179.361 176.870 0.123 0.000 1.076 66 L CA 1.236 56.210 54.840 0.223 0.000 0.758 66 L CB -0.508 41.621 42.059 0.117 0.000 0.890 66 L HN 0.471 nan 8.230 nan 0.000 0.433 67 K N 0.573 121.021 120.400 0.081 0.000 1.969 67 K HA -0.246 4.072 4.320 -0.003 0.000 0.223 67 K C 2.364 178.986 176.600 0.036 0.000 1.048 67 K CA 2.377 58.692 56.287 0.046 0.000 0.983 67 K CB -0.229 32.292 32.500 0.036 0.000 0.738 67 K HN 0.360 nan 8.250 nan 0.000 0.446 68 S N -1.022 114.690 115.700 0.020 0.000 2.423 68 S HA 0.008 4.476 4.470 -0.003 0.000 0.231 68 S C 1.466 176.061 174.600 -0.009 0.000 1.014 68 S CA 1.079 59.280 58.200 0.001 0.000 0.965 68 S CB -0.214 62.980 63.200 -0.011 0.000 0.785 68 S HN 0.726 nan 8.310 nan 0.000 0.495 69 G N 1.070 109.859 108.800 -0.019 0.000 2.143 69 G HA2 -0.271 3.687 3.960 -0.003 0.000 0.249 69 G HA3 -0.271 3.687 3.960 -0.003 0.000 0.249 69 G C 0.165 174.957 174.900 -0.179 0.000 0.981 69 G CA 0.419 45.515 45.100 -0.006 0.000 0.665 69 G HN 1.425 nan 8.290 nan 0.000 0.528 70 S N -0.711 114.835 115.700 -0.256 0.000 2.672 70 S HA 0.870 5.338 4.470 -0.003 0.000 0.276 70 S C -0.037 174.378 174.600 -0.308 0.000 1.207 70 S CA 0.469 58.555 58.200 -0.190 0.000 1.002 70 S CB 2.462 65.620 63.200 -0.069 0.000 0.998 70 S HN 0.773 nan 8.310 nan 0.000 0.542 71 T N 1.091 115.621 114.554 -0.040 0.000 2.903 71 T HA 0.803 5.151 4.350 -0.003 0.000 0.299 71 T C -0.821 174.038 174.700 0.265 0.000 1.093 71 T CA -1.035 61.160 62.100 0.158 0.000 1.002 71 T CB 1.526 70.595 68.868 0.334 0.000 1.127 71 T HN 0.980 nan 8.240 nan 0.000 0.488 72 R N 0.054 120.757 120.500 0.338 0.000 2.663 72 R HA 0.554 4.892 4.340 -0.003 0.000 0.267 72 R C -1.622 174.620 176.300 -0.096 0.000 1.038 72 R CA -1.202 54.992 56.100 0.156 0.000 0.886 72 R CB 1.585 31.909 30.300 0.039 0.000 1.249 72 R HN 0.516 nan 8.270 nan 0.000 0.463 73 K N 3.356 123.380 120.400 -0.626 0.000 2.284 73 K HA 0.214 4.532 4.320 -0.003 0.000 0.287 73 K C 0.799 177.077 176.600 -0.535 0.000 1.081 73 K CA -0.547 55.103 56.287 -1.062 0.000 0.910 73 K CB 0.595 32.254 32.500 -1.401 0.000 1.088 73 K HN 0.739 nan 8.250 nan 0.000 0.478 74 I N 1.639 121.935 120.570 -0.457 0.000 3.419 74 I HA 0.125 4.292 4.170 -0.003 0.000 0.286 74 I C 0.122 175.951 176.117 -0.479 0.000 1.268 74 I CA -0.305 60.769 61.300 -0.376 0.000 1.414 74 I CB 0.548 38.303 38.000 -0.407 0.000 1.074 74 I HN 0.231 nan 8.210 nan 0.000 0.457 75 V N 0.991 120.623 119.914 -0.471 0.000 2.950 75 V HA 0.685 4.803 4.120 -0.003 0.000 0.295 75 V C -1.017 174.893 176.094 -0.307 0.000 1.297 75 V CA 0.367 62.448 62.300 -0.366 0.000 0.962 75 V CB 2.204 33.770 31.823 -0.430 0.000 1.081 75 V HN 0.541 nan 8.190 nan 0.000 0.432 76 S N 3.824 119.391 115.700 -0.222 0.000 2.643 76 S HA 0.606 5.074 4.470 -0.003 0.000 0.270 76 S C -0.116 174.401 174.600 -0.138 0.000 1.166 76 S CA 0.058 58.146 58.200 -0.186 0.000 0.815 76 S CB 1.512 64.594 63.200 -0.195 0.000 1.139 76 S HN 2.139 nan 8.310 nan 0.000 0.472 77 N N -0.723 117.911 118.700 -0.111 0.000 2.747 77 N HA -0.129 4.609 4.740 -0.003 0.000 0.249 77 N C 0.009 175.450 175.510 -0.115 0.000 1.107 77 N CA 1.124 54.119 53.050 -0.091 0.000 0.707 77 N CB -1.746 36.698 38.487 -0.072 0.000 1.054 77 N HN 0.664 nan 8.380 nan 0.000 0.555 78 L N -1.992 119.139 121.223 -0.154 0.000 2.638 78 L HA 0.420 4.758 4.340 -0.003 0.000 0.232 78 L C 1.498 178.260 176.870 -0.181 0.000 1.099 78 L CA 0.560 55.268 54.840 -0.220 0.000 0.883 78 L CB 0.095 41.944 42.059 -0.349 0.000 1.136 78 L HN 0.486 nan 8.230 nan 0.000 0.492 79 G N -0.339 108.382 108.800 -0.131 0.000 2.297 79 G HA2 -0.138 3.820 3.960 -0.003 0.000 0.209 79 G HA3 -0.138 3.820 3.960 -0.003 0.000 0.209 79 G C -1.011 173.835 174.900 -0.090 0.000 1.267 79 G CA -0.587 44.452 45.100 -0.102 0.000 1.127 79 G HN -0.261 nan 8.290 nan 0.000 0.498 80 V N 1.290 121.145 119.914 -0.098 0.000 2.385 80 V HA 0.532 4.650 4.120 -0.003 0.000 0.269 80 V C 0.662 176.635 176.094 -0.201 0.000 1.043 80 V CA -0.143 62.055 62.300 -0.171 0.000 0.906 80 V CB 0.766 32.433 31.823 -0.260 0.000 0.995 80 V HN 0.569 nan 8.190 nan 0.000 0.467 81 I N 4.974 125.443 120.570 -0.169 0.000 2.392 81 I HA 0.382 4.550 4.170 -0.003 0.000 0.295 81 I C 0.904 176.959 176.117 -0.104 0.000 0.985 81 I CA -0.169 61.065 61.300 -0.110 0.000 1.221 81 I CB 1.417 39.377 38.000 -0.065 0.000 1.366 81 I HN 0.843 nan 8.210 nan 0.000 0.467 82 N N 2.904 121.581 118.700 -0.039 0.000 2.168 82 N HA 0.124 4.862 4.740 -0.003 0.000 0.216 82 N C -0.091 175.488 175.510 0.116 0.000 1.259 82 N CA -0.429 52.663 53.050 0.069 0.000 0.902 82 N CB 0.520 39.077 38.487 0.116 0.000 1.079 82 N HN 0.505 nan 8.380 nan 0.000 0.507 83 N N 0.355 119.129 118.700 0.123 0.000 2.336 83 N HA 0.601 5.339 4.740 -0.003 0.000 0.290 83 N C -2.118 173.487 175.510 0.158 0.000 1.058 83 N CA -0.454 52.722 53.050 0.211 0.000 0.865 83 N CB 2.344 40.994 38.487 0.272 0.000 1.581 83 N HN 0.320 nan 8.380 nan 0.000 0.480 84 A N 2.711 125.638 122.820 0.179 0.000 2.381 84 A HA 0.788 5.106 4.320 -0.003 0.000 0.299 84 A C -1.112 176.550 177.584 0.130 0.000 1.049 84 A CA -0.707 51.390 52.037 0.101 0.000 0.715 84 A CB 1.127 20.128 19.000 0.003 0.000 1.222 84 A HN 0.498 nan 8.150 nan 0.000 0.428 85 R N 1.441 122.017 120.500 0.127 0.000 2.561 85 R HA 0.436 4.774 4.340 -0.003 0.000 0.297 85 R C -1.482 174.898 176.300 0.133 0.000 0.969 85 R CA -0.565 55.654 56.100 0.198 0.000 0.879 85 R CB 1.201 31.695 30.300 0.323 0.000 1.178 85 R HN 0.687 nan 8.270 nan 0.000 0.445 86 F N 2.303 122.326 119.950 0.120 0.000 2.443 86 F HA 0.195 4.720 4.527 -0.003 0.000 0.353 86 F C 1.015 176.605 175.800 -0.350 0.000 1.101 86 F CA 0.059 58.047 58.000 -0.020 0.000 1.226 86 F CB 0.507 39.492 39.000 -0.024 0.000 1.140 86 F HN 0.361 nan 8.300 nan 0.000 0.557 87 F N 5.237 125.078 119.950 -0.182 0.000 2.408 87 F HA 0.121 4.646 4.527 -0.004 0.000 0.303 87 F C -0.864 174.612 175.800 -0.541 0.000 1.268 87 F CA -1.139 56.502 58.000 -0.597 0.000 1.218 87 F CB 0.031 38.876 39.000 -0.258 0.000 1.283 87 F HN 0.325 nan 8.300 nan 0.000 0.545 88 P HA -0.213 nan 4.420 nan 0.000 0.213 88 P C 0.809 178.087 177.300 -0.036 0.000 1.170 88 P CA 2.091 65.117 63.100 -0.124 0.000 0.898 88 P CB -0.303 31.378 31.700 -0.032 0.000 0.787 89 D N -0.688 119.698 120.400 -0.024 0.000 2.389 89 D HA -0.081 4.557 4.640 -0.003 0.000 0.221 89 D C 1.571 177.780 176.300 -0.151 0.000 0.974 89 D CA 1.356 55.334 54.000 -0.037 0.000 0.923 89 D CB -1.380 39.392 40.800 -0.046 0.000 0.892 89 D HN 0.412 nan 8.370 nan 0.000 0.518 90 G N 0.264 108.851 108.800 -0.354 0.000 2.189 90 G HA2 -0.396 3.562 3.960 -0.003 0.000 0.267 90 G HA3 -0.396 3.562 3.960 -0.003 0.000 0.267 90 G C 1.311 176.112 174.900 -0.165 0.000 0.975 90 G CA 0.533 45.167 45.100 -0.778 0.000 0.644 90 G HN 0.382 nan 8.290 nan 0.000 0.537 91 R N 0.240 120.701 120.500 -0.065 0.000 2.052 91 R HA 0.110 4.448 4.340 -0.003 0.000 0.224 91 R C 1.352 177.652 176.300 0.000 0.000 1.149 91 R CA 1.201 57.283 56.100 -0.029 0.000 0.962 91 R CB -0.256 29.988 30.300 -0.094 0.000 0.856 91 R HN 0.467 nan 8.270 nan 0.000 0.433 92 K N 0.647 121.000 120.400 -0.080 0.000 2.090 92 K HA 0.478 4.796 4.320 -0.003 0.000 0.250 92 K C -0.092 176.678 176.600 0.284 0.000 1.004 92 K CA -0.228 55.995 56.287 -0.107 0.000 0.919 92 K CB 1.227 33.308 32.500 -0.698 0.000 1.045 92 K HN -0.023 nan 8.250 nan 0.000 0.471 93 I N 0.933 121.697 120.570 0.323 0.000 2.534 93 I HA 0.283 4.451 4.170 -0.003 0.000 0.288 93 I C -0.916 175.448 176.117 0.412 0.000 1.077 93 I CA -0.996 60.502 61.300 0.330 0.000 1.051 93 I CB 2.148 40.224 38.000 0.127 0.000 1.234 93 I HN 0.616 nan 8.210 nan 0.000 0.425 94 A N 7.636 130.681 122.820 0.374 0.000 2.289 94 A HA 0.829 5.147 4.320 -0.003 0.000 0.298 94 A C -0.594 177.157 177.584 0.277 0.000 1.208 94 A CA -0.209 52.087 52.037 0.431 0.000 0.845 94 A CB 0.289 19.479 19.000 0.316 0.000 1.125 94 A HN 0.655 nan 8.150 nan 0.000 0.517 95 I N 1.942 122.685 120.570 0.288 0.000 2.509 95 I HA 0.441 4.609 4.170 -0.003 0.000 0.293 95 I C 0.311 176.527 176.117 0.165 0.000 1.020 95 I CA -0.511 60.898 61.300 0.182 0.000 1.088 95 I CB 2.027 40.109 38.000 0.137 0.000 1.267 95 I HN 0.760 nan 8.210 nan 0.000 0.430 96 R N 5.900 126.467 120.500 0.113 0.000 2.229 96 R HA 0.696 5.034 4.340 -0.003 0.000 0.332 96 R C -1.712 174.622 176.300 0.056 0.000 0.989 96 R CA -0.384 55.768 56.100 0.086 0.000 0.842 96 R CB 1.696 32.043 30.300 0.079 0.000 1.119 96 R HN 0.531 nan 8.270 nan 0.000 0.456 97 V N 6.111 126.068 119.914 0.071 0.000 2.680 97 V HA 0.532 4.650 4.120 -0.003 0.000 0.309 97 V C -0.783 175.397 176.094 0.143 0.000 1.052 97 V CA -0.861 61.473 62.300 0.057 0.000 0.908 97 V CB 2.092 33.923 31.823 0.013 0.000 1.001 97 V HN 0.882 nan 8.190 nan 0.000 0.431 98 M N 6.164 125.800 119.600 0.061 0.000 2.472 98 M HA 0.685 5.163 4.480 -0.003 0.000 0.331 98 M C -0.308 176.019 176.300 0.045 0.000 1.170 98 M CA -0.431 54.916 55.300 0.079 0.000 1.009 98 M CB 2.176 34.742 32.600 -0.058 0.000 1.672 98 M HN 0.580 nan 8.290 nan 0.000 0.453 99 R N 0.121 120.646 120.500 0.042 0.000 2.855 99 R HA 0.865 5.203 4.340 -0.003 0.000 0.266 99 R C -0.906 175.357 176.300 -0.063 0.000 1.034 99 R CA -0.848 55.182 56.100 -0.117 0.000 0.944 99 R CB 2.450 32.465 30.300 -0.474 0.000 1.219 99 R HN 0.962 nan 8.270 nan 0.000 0.474 100 G N -0.002 108.755 108.800 -0.073 0.000 2.697 100 G HA2 -0.219 3.739 3.960 -0.003 0.000 0.686 100 G HA3 -0.219 3.739 3.960 -0.003 0.000 0.686 100 G C 0.295 175.205 174.900 0.017 0.000 1.179 100 G CA -0.082 45.001 45.100 -0.028 0.000 0.765 100 G HN 0.510 nan 8.290 nan 0.000 0.649 101 S N -0.207 115.515 115.700 0.036 0.000 2.380 101 S HA -0.115 4.353 4.470 -0.003 0.000 0.229 101 S C 2.063 176.768 174.600 0.176 0.000 1.043 101 S CA 2.560 60.816 58.200 0.094 0.000 1.038 101 S CB -0.165 63.076 63.200 0.069 0.000 0.872 101 S HN 1.344 nan 8.310 nan 0.000 0.456 102 S N 0.828 116.590 115.700 0.104 0.000 2.588 102 S HA 0.448 4.916 4.470 -0.003 0.000 0.245 102 S C 0.206 174.726 174.600 -0.132 0.000 1.021 102 S CA -0.269 57.971 58.200 0.067 0.000 1.006 102 S CB -0.045 63.183 63.200 0.046 0.000 0.830 102 S HN 0.560 nan 8.310 nan 0.000 0.468 103 L N 1.378 122.546 121.223 -0.091 0.000 3.737 103 L HA -0.312 4.026 4.340 -0.003 0.000 0.418 103 L C 0.932 177.731 176.870 -0.118 0.000 1.216 103 L CA 0.539 55.298 54.840 -0.134 0.000 0.915 103 L CB -2.254 39.637 42.059 -0.280 0.000 1.834 103 L HN 0.510 nan 8.230 nan 0.000 0.943 104 N N -0.921 117.736 118.700 -0.072 0.000 2.515 104 N HA -0.014 4.724 4.740 -0.003 0.000 0.185 104 N C 0.552 176.045 175.510 -0.027 0.000 1.109 104 N CA 0.856 53.868 53.050 -0.064 0.000 0.903 104 N CB 0.178 38.639 38.487 -0.043 0.000 0.969 104 N HN 0.603 nan 8.380 nan 0.000 0.450 105 T N -3.748 110.818 114.554 0.020 0.000 2.906 105 T HA 0.859 5.207 4.350 -0.003 0.000 0.295 105 T C -0.862 173.942 174.700 0.173 0.000 1.075 105 T CA -0.774 61.385 62.100 0.098 0.000 1.005 105 T CB 2.157 71.126 68.868 0.169 0.000 1.136 105 T HN 0.218 nan 8.240 nan 0.000 0.498 106 A N 1.182 124.093 122.820 0.152 0.000 2.612 106 A HA 0.817 5.135 4.320 -0.003 0.000 0.293 106 A C -1.866 175.583 177.584 -0.225 0.000 1.075 106 A CA -0.721 51.366 52.037 0.083 0.000 0.680 106 A CB 1.769 20.788 19.000 0.032 0.000 1.279 106 A HN 0.826 nan 8.150 nan 0.000 0.411 107 D N -0.409 119.736 120.400 -0.426 0.000 2.622 107 D HA 0.522 5.160 4.640 -0.003 0.000 0.255 107 D C -1.229 174.909 176.300 -0.269 0.000 1.246 107 D CA -0.245 53.409 54.000 -0.577 0.000 0.795 107 D CB 1.627 41.667 40.800 -1.266 0.000 1.369 107 D HN 0.491 nan 8.370 nan 0.000 0.425 108 L N 1.150 122.224 121.223 -0.249 0.000 2.322 108 L HA 0.517 4.855 4.340 -0.003 0.000 0.279 108 L C -0.815 175.991 176.870 -0.106 0.000 1.036 108 L CA -0.673 54.129 54.840 -0.064 0.000 0.807 108 L CB 0.796 42.830 42.059 -0.042 0.000 1.226 108 L HN 0.275 nan 8.230 nan 0.000 0.433 109 Y N 1.068 121.347 120.300 -0.034 0.000 2.536 109 Y HA 0.508 5.056 4.550 -0.004 0.000 0.347 109 Y C -0.401 175.669 175.900 0.282 0.000 1.000 109 Y CA -0.634 57.486 58.100 0.033 0.000 1.051 109 Y CB 2.157 40.655 38.460 0.063 0.000 1.259 109 Y HN 0.296 nan 8.280 nan 0.000 0.468 110 F N 1.493 121.595 119.950 0.253 0.000 2.458 110 F HA 0.393 4.918 4.527 -0.003 0.000 0.330 110 F C -1.074 174.897 175.800 0.284 0.000 1.082 110 F CA -1.074 57.078 58.000 0.253 0.000 0.995 110 F CB 1.708 40.796 39.000 0.147 0.000 1.170 110 F HN 0.409 nan 8.300 nan 0.000 0.478 111 Y N 3.371 123.837 120.300 0.277 0.000 2.331 111 Y HA 0.275 4.823 4.550 -0.004 0.000 0.326 111 Y C -1.080 174.843 175.900 0.038 0.000 1.020 111 Y CA -1.095 57.086 58.100 0.134 0.000 1.136 111 Y CB 0.947 39.462 38.460 0.091 0.000 1.157 111 Y HN 0.426 nan 8.280 nan 0.000 0.444 112 N N 3.794 122.129 118.700 -0.608 0.000 2.527 112 N HA 0.203 4.941 4.740 -0.003 0.000 0.236 112 N C 0.807 175.872 175.510 -0.741 0.000 0.999 112 N CA 0.489 53.234 53.050 -0.507 0.000 0.935 112 N CB 1.565 39.876 38.487 -0.293 0.000 1.132 112 N HN 1.097 nan 8.380 nan 0.000 0.511 113 G N 2.028 110.512 108.800 -0.526 0.000 2.708 113 G HA2 -0.175 3.783 3.960 -0.003 0.000 0.210 113 G HA3 -0.175 3.783 3.960 -0.003 0.000 0.210 113 G C 1.063 175.875 174.900 -0.145 0.000 1.141 113 G CA 0.171 45.109 45.100 -0.270 0.000 0.788 113 G HN 0.633 nan 8.290 nan 0.000 0.531 114 E N 1.384 121.483 120.200 -0.168 0.000 2.042 114 E HA -0.098 4.249 4.350 -0.003 0.000 0.189 114 E C 1.910 178.454 176.600 -0.094 0.000 0.974 114 E CA 1.305 57.644 56.400 -0.101 0.000 0.806 114 E CB 0.065 29.706 29.700 -0.098 0.000 0.769 114 E HN 0.517 nan 8.360 nan 0.000 0.451 115 N N -1.246 117.378 118.700 -0.126 0.000 2.197 115 N HA 0.117 4.855 4.740 -0.003 0.000 0.201 115 N C 0.843 176.296 175.510 -0.095 0.000 1.148 115 N CA 0.718 53.714 53.050 -0.089 0.000 0.883 115 N CB 0.818 39.260 38.487 -0.074 0.000 1.012 115 N HN 0.196 nan 8.380 nan 0.000 0.507 116 G N 0.205 108.896 108.800 -0.182 0.000 2.198 116 G HA2 -0.330 3.628 3.960 -0.003 0.000 0.257 116 G HA3 -0.330 3.628 3.960 -0.003 0.000 0.257 116 G C -0.468 174.379 174.900 -0.089 0.000 1.042 116 G CA 0.257 45.270 45.100 -0.145 0.000 0.791 116 G HN 0.641 nan 8.290 nan 0.000 0.502 117 E N -0.587 119.519 120.200 -0.157 0.000 2.343 117 E HA 0.594 4.942 4.350 -0.003 0.000 0.269 117 E C -0.348 176.272 176.600 0.033 0.000 1.047 117 E CA -0.851 55.525 56.400 -0.041 0.000 0.874 117 E CB 0.710 30.385 29.700 -0.042 0.000 1.033 117 E HN 0.352 nan 8.360 nan 0.000 0.409 118 I N 3.364 124.016 120.570 0.137 0.000 2.545 118 I HA 0.397 4.565 4.170 -0.003 0.000 0.292 118 I C -1.526 174.733 176.117 0.236 0.000 1.040 118 I CA -0.433 61.020 61.300 0.255 0.000 1.068 118 I CB 1.567 39.722 38.000 0.259 0.000 1.251 118 I HN 0.502 nan 8.210 nan 0.000 0.424 119 K N 6.453 127.023 120.400 0.283 0.000 2.565 119 K HA 0.419 4.737 4.320 -0.003 0.000 0.251 119 K C -1.162 175.344 176.600 -0.156 0.000 0.956 119 K CA -0.798 55.557 56.287 0.114 0.000 0.809 119 K CB 1.457 34.007 32.500 0.084 0.000 1.267 119 K HN 0.714 nan 8.250 nan 0.000 0.438 120 R N 5.267 125.444 120.500 -0.538 0.000 2.401 120 R HA 0.130 4.468 4.340 -0.003 0.000 0.299 120 R C 0.592 176.486 176.300 -0.677 0.000 1.064 120 R CA -0.222 55.122 56.100 -1.259 0.000 1.000 120 R CB 0.437 29.973 30.300 -1.273 0.000 0.973 120 R HN 0.607 nan 8.270 nan 0.000 0.438 121 I N 2.380 122.534 120.570 -0.694 0.000 2.810 121 I HA -0.021 4.147 4.170 -0.003 0.000 0.262 121 I C 0.994 176.901 176.117 -0.350 0.000 1.131 121 I CA 0.932 61.925 61.300 -0.511 0.000 1.453 121 I CB -0.543 37.052 38.000 -0.675 0.000 1.161 121 I HN 0.671 nan 8.210 nan 0.000 0.444 122 T N -1.954 112.267 114.554 -0.554 0.000 2.856 122 T HA 0.508 4.856 4.350 -0.003 0.000 0.283 122 T C -0.781 173.392 174.700 -0.878 0.000 1.008 122 T CA -0.366 61.295 62.100 -0.732 0.000 0.997 122 T CB 1.865 70.213 68.868 -0.866 0.000 0.992 122 T HN 0.024 nan 8.240 nan 0.000 0.454 123 Y N 1.377 121.198 120.300 -0.799 0.000 2.617 123 Y HA 0.429 4.977 4.550 -0.004 0.000 0.328 123 Y C 0.528 176.248 175.900 -0.299 0.000 0.946 123 Y CA -1.797 56.056 58.100 -0.411 0.000 1.241 123 Y CB -0.380 37.973 38.460 -0.178 0.000 1.226 123 Y HN 0.759 nan 8.280 nan 0.000 0.582 124 F N -1.226 118.622 119.950 -0.170 0.000 2.473 124 F HA -0.019 4.505 4.527 -0.004 0.000 0.294 124 F C 1.636 177.354 175.800 -0.136 0.000 1.103 124 F CA 0.460 58.342 58.000 -0.197 0.000 1.442 124 F CB 0.253 39.065 39.000 -0.314 0.000 1.097 124 F HN 0.119 nan 8.300 nan 0.000 0.547 125 S N 1.192 116.901 115.700 0.016 0.000 3.628 125 S HA -0.146 4.322 4.470 -0.003 0.000 0.373 125 S C 0.502 175.122 174.600 0.033 0.000 0.968 125 S CA -0.032 58.188 58.200 0.034 0.000 1.215 125 S CB -1.618 61.643 63.200 0.101 0.000 0.912 125 S HN 0.610 nan 8.310 nan 0.000 0.495 126 G N 1.735 110.543 108.800 0.014 0.000 2.321 126 G HA2 0.254 4.212 3.960 -0.003 0.000 0.237 126 G HA3 0.254 4.212 3.960 -0.003 0.000 0.237 126 G C -0.100 174.796 174.900 -0.006 0.000 1.282 126 G CA -0.250 44.848 45.100 -0.004 0.000 0.886 126 G HN 0.665 nan 8.290 nan 0.000 0.528 127 K N 0.866 121.251 120.400 -0.025 0.000 2.276 127 K HA 0.436 4.754 4.320 -0.003 0.000 0.283 127 K C 0.233 176.779 176.600 -0.091 0.000 1.044 127 K CA -0.121 56.135 56.287 -0.052 0.000 0.944 127 K CB 1.139 33.599 32.500 -0.067 0.000 1.012 127 K HN 0.634 nan 8.250 nan 0.000 0.472 128 S N 0.566 116.188 115.700 -0.130 0.000 2.588 128 S HA 0.615 5.083 4.470 -0.003 0.000 0.275 128 S C -0.512 173.939 174.600 -0.249 0.000 1.130 128 S CA -0.811 57.258 58.200 -0.218 0.000 0.855 128 S CB 1.911 65.019 63.200 -0.153 0.000 1.116 128 S HN 0.644 nan 8.310 nan 0.000 0.472 129 T N -2.105 112.248 114.554 -0.335 0.000 2.838 129 T HA 0.699 5.047 4.350 -0.003 0.000 0.292 129 T C 1.329 175.844 174.700 -0.308 0.000 1.113 129 T CA -0.287 61.624 62.100 -0.314 0.000 1.008 129 T CB 0.855 69.502 68.868 -0.369 0.000 1.259 129 T HN 1.096 nan 8.240 nan 0.000 0.520 130 G N 0.867 109.507 108.800 -0.267 0.000 2.476 130 G HA2 -0.244 3.714 3.960 -0.003 0.000 0.218 130 G HA3 -0.244 3.714 3.960 -0.003 0.000 0.218 130 G C 1.522 176.276 174.900 -0.244 0.000 1.164 130 G CA 1.061 46.038 45.100 -0.205 0.000 0.768 130 G HN 0.975 nan 8.290 nan 0.000 0.560 131 R N -0.301 119.970 120.500 -0.382 0.000 2.148 131 R HA 0.139 4.477 4.340 -0.003 0.000 0.223 131 R C 0.667 176.695 176.300 -0.455 0.000 1.088 131 R CA 0.538 56.366 56.100 -0.453 0.000 0.985 131 R CB 0.010 29.914 30.300 -0.659 0.000 0.880 131 R HN 0.161 nan 8.270 nan 0.000 0.451 132 R N 1.157 121.286 120.500 -0.619 0.000 2.547 132 R HA 0.316 4.653 4.340 -0.003 0.000 0.280 132 R C -0.679 175.072 176.300 -0.915 0.000 1.630 132 R CA -0.203 55.284 56.100 -1.022 0.000 1.470 132 R CB 1.296 30.727 30.300 -1.448 0.000 1.178 132 R HN 0.102 nan 8.270 nan 0.000 0.591 133 M N 3.217 122.530 119.600 -0.478 0.000 3.422 133 M HA 0.233 4.711 4.480 -0.003 0.000 0.248 133 M C -0.239 176.070 176.300 0.016 0.000 1.433 133 M CA 0.355 55.532 55.300 -0.205 0.000 1.592 133 M CB -0.296 32.263 32.600 -0.068 0.000 1.078 133 M HN 0.314 nan 8.290 nan 0.000 0.578 134 F N 0.530 120.384 119.950 -0.161 0.000 2.472 134 F HA 0.094 4.618 4.527 -0.004 0.000 0.312 134 F C 1.320 177.070 175.800 -0.084 0.000 1.256 134 F CA -0.395 57.529 58.000 -0.127 0.000 1.275 134 F CB 0.529 39.440 39.000 -0.147 0.000 1.228 134 F HN 0.395 nan 8.300 nan 0.000 0.567 135 T N 1.096 115.714 114.554 0.106 0.000 3.245 135 T HA -0.162 4.186 4.350 -0.003 0.000 0.434 135 T C -0.962 173.766 174.700 0.046 0.000 0.770 135 T CA 0.099 62.222 62.100 0.039 0.000 2.278 135 T CB -1.030 67.858 68.868 0.033 0.000 1.692 135 T HN 0.666 nan 8.240 nan 0.000 0.677 136 D N -0.208 120.213 120.400 0.035 0.000 2.781 136 D HA 0.611 5.249 4.640 -0.003 0.000 0.295 136 D C -0.487 175.815 176.300 0.004 0.000 1.143 136 D CA -0.588 53.434 54.000 0.036 0.000 1.076 136 D CB 1.674 42.505 40.800 0.052 0.000 1.444 136 D HN 0.215 nan 8.370 nan 0.000 0.567 137 V N 1.611 121.518 119.914 -0.011 0.000 2.461 137 V HA 0.485 4.603 4.120 -0.003 0.000 0.275 137 V C 1.132 177.146 176.094 -0.133 0.000 1.047 137 V CA 0.367 62.616 62.300 -0.085 0.000 0.955 137 V CB 0.854 32.623 31.823 -0.090 0.000 0.988 137 V HN 0.708 nan 8.190 nan 0.000 0.471 138 A N 3.965 126.694 122.820 -0.152 0.000 1.984 138 A HA 0.633 4.951 4.320 -0.003 0.000 0.214 138 A C 1.120 178.650 177.584 -0.090 0.000 1.173 138 A CA 1.061 53.018 52.037 -0.133 0.000 0.673 138 A CB -0.056 18.894 19.000 -0.082 0.000 0.830 138 A HN 1.374 nan 8.150 nan 0.000 0.453 139 G N -2.353 106.332 108.800 -0.193 0.000 2.351 139 G HA2 0.396 4.354 3.960 -0.003 0.000 0.279 139 G HA3 0.396 4.354 3.960 -0.003 0.000 0.279 139 G C -1.580 173.068 174.900 -0.419 0.000 1.297 139 G CA -0.721 44.322 45.100 -0.095 0.000 0.886 139 G HN 0.301 nan 8.290 nan 0.000 0.493 140 F N 1.583 121.626 119.950 0.155 0.000 2.547 140 F HA 0.494 5.019 4.527 -0.003 0.000 0.316 140 F C 0.050 175.858 175.800 0.013 0.000 1.121 140 F CA -0.624 57.421 58.000 0.075 0.000 0.911 140 F CB 2.206 41.216 39.000 0.016 0.000 1.179 140 F HN 0.683 nan 8.300 nan 0.000 0.443 141 D N 2.638 123.042 120.400 0.007 0.000 2.371 141 D HA 0.209 4.847 4.640 -0.003 0.000 0.242 141 D C -2.111 173.933 176.300 -0.426 0.000 1.218 141 D CA -1.922 51.745 54.000 -0.554 0.000 0.945 141 D CB 0.294 40.914 40.800 -0.301 0.000 1.137 141 D HN 0.171 nan 8.370 nan 0.000 0.464 142 P HA -0.131 nan 4.420 nan 0.000 0.216 142 P C 0.459 177.706 177.300 -0.089 0.000 1.150 142 P CA 1.221 64.173 63.100 -0.246 0.000 0.843 142 P CB 0.079 31.656 31.700 -0.205 0.000 0.787 143 D N -1.946 118.412 120.400 -0.070 0.000 2.378 143 D HA 0.037 4.674 4.640 -0.003 0.000 0.222 143 D C 1.477 177.805 176.300 0.047 0.000 0.980 143 D CA 1.381 55.381 54.000 -0.000 0.000 0.907 143 D CB -0.652 40.156 40.800 0.013 0.000 0.899 143 D HN 0.177 nan 8.370 nan 0.000 0.527 144 G N 0.429 109.272 108.800 0.071 0.000 2.131 144 G HA2 -0.271 3.687 3.960 -0.003 0.000 0.223 144 G HA3 -0.271 3.687 3.960 -0.003 0.000 0.223 144 G C -0.048 175.041 174.900 0.315 0.000 0.990 144 G CA -0.324 44.875 45.100 0.165 0.000 0.671 144 G HN 0.335 nan 8.290 nan 0.000 0.521 145 N N -0.475 118.381 118.700 0.260 0.000 2.509 145 N HA 0.615 5.353 4.740 -0.003 0.000 0.287 145 N C 0.014 175.695 175.510 0.284 0.000 1.121 145 N CA -0.703 52.530 53.050 0.305 0.000 0.977 145 N CB 1.571 40.165 38.487 0.178 0.000 1.167 145 N HN 0.289 nan 8.380 nan 0.000 0.476 146 L N 2.709 124.084 121.223 0.254 0.000 2.367 146 L HA 0.355 4.692 4.340 -0.003 0.000 0.275 146 L C -1.090 175.734 176.870 -0.077 0.000 1.129 146 L CA 0.203 54.956 54.840 -0.144 0.000 0.839 146 L CB 0.100 42.167 42.059 0.013 0.000 1.133 146 L HN 0.431 nan 8.230 nan 0.000 0.453 147 I N 6.982 127.426 120.570 -0.210 0.000 2.389 147 I HA 0.351 4.519 4.170 -0.003 0.000 0.288 147 I C 0.125 176.205 176.117 -0.062 0.000 0.999 147 I CA -0.423 60.855 61.300 -0.037 0.000 1.129 147 I CB 1.167 39.184 38.000 0.029 0.000 1.288 147 I HN 0.675 nan 8.210 nan 0.000 0.444 148 I N 2.079 122.684 120.570 0.058 0.000 2.707 148 I HA 0.674 4.842 4.170 -0.003 0.000 0.309 148 I C -0.000 176.150 176.117 0.056 0.000 1.001 148 I CA -0.552 60.784 61.300 0.060 0.000 1.129 148 I CB 2.170 40.264 38.000 0.156 0.000 1.308 148 I HN 0.460 nan 8.210 nan 0.000 0.466 149 S N 2.539 118.238 115.700 -0.001 0.000 2.530 149 S HA 0.631 5.099 4.470 -0.003 0.000 0.322 149 S C -0.566 173.993 174.600 -0.068 0.000 1.085 149 S CA -0.232 57.929 58.200 -0.063 0.000 1.096 149 S CB 0.706 63.837 63.200 -0.116 0.000 0.988 149 S HN 0.920 nan 8.310 nan 0.000 0.466 150 T N 1.980 116.493 114.554 -0.069 0.000 2.868 150 T HA 0.424 4.772 4.350 -0.003 0.000 0.306 150 T C -0.903 173.680 174.700 -0.196 0.000 1.224 150 T CA -0.621 61.389 62.100 -0.149 0.000 1.012 150 T CB 1.418 70.143 68.868 -0.238 0.000 1.221 150 T HN 0.692 nan 8.240 nan 0.000 0.499 151 D N 1.287 121.544 120.400 -0.238 0.000 2.469 151 D HA 0.212 4.850 4.640 -0.003 0.000 0.215 151 D C 1.680 177.809 176.300 -0.285 0.000 1.154 151 D CA 0.191 54.044 54.000 -0.246 0.000 0.832 151 D CB -0.006 40.673 40.800 -0.202 0.000 1.008 151 D HN 0.520 nan 8.370 nan 0.000 0.506 152 A N 0.954 123.540 122.820 -0.391 0.000 1.958 152 A HA -0.181 4.137 4.320 -0.003 0.000 0.221 152 A C 1.861 179.181 177.584 -0.439 0.000 1.178 152 A CA 1.486 53.256 52.037 -0.445 0.000 0.642 152 A CB -0.359 18.185 19.000 -0.760 0.000 0.816 152 A HN 0.199 nan 8.150 nan 0.000 0.453 153 M N -0.325 118.984 119.600 -0.484 0.000 2.475 153 M HA 0.236 4.714 4.480 -0.003 0.000 0.283 153 M C -0.200 175.906 176.300 -0.324 0.000 1.165 153 M CA 0.118 55.174 55.300 -0.407 0.000 0.976 153 M CB 0.749 33.105 32.600 -0.407 0.000 1.428 153 M HN 0.201 nan 8.290 nan 0.000 0.495 154 Q N 0.170 119.790 119.800 -0.300 0.000 2.248 154 Q HA 0.455 4.793 4.340 -0.003 0.000 0.263 154 Q C -1.776 174.013 176.000 -0.352 0.000 1.007 154 Q CA -1.879 53.751 55.803 -0.287 0.000 0.877 154 Q CB 0.852 29.427 28.738 -0.271 0.000 1.315 154 Q HN -0.019 nan 8.270 nan 0.000 0.454 155 P HA -0.008 nan 4.420 nan 0.000 0.221 155 P C -0.273 176.528 177.300 -0.832 0.000 1.155 155 P CA 0.973 63.702 63.100 -0.619 0.000 0.812 155 P CB 0.396 31.643 31.700 -0.756 0.000 0.801 156 F N 0.264 119.896 119.950 -0.531 0.000 2.469 156 F HA 0.275 4.801 4.527 -0.002 0.000 0.332 156 F C 2.085 177.655 175.800 -0.385 0.000 1.103 156 F CA -0.626 57.059 58.000 -0.524 0.000 0.979 156 F CB 1.329 39.749 39.000 -0.967 0.000 1.137 156 F HN -0.227 nan 8.300 nan 0.000 0.463 157 S N 0.673 116.340 115.700 -0.054 0.000 2.370 157 S HA -0.196 4.272 4.470 -0.003 0.000 0.226 157 S C 1.875 176.517 174.600 0.071 0.000 1.033 157 S CA 2.015 60.242 58.200 0.045 0.000 1.011 157 S CB -0.558 62.702 63.200 0.099 0.000 0.852 157 S HN 0.589 nan 8.310 nan 0.000 0.457 158 S N 1.508 117.219 115.700 0.019 0.000 2.469 158 S HA 0.177 4.645 4.470 -0.003 0.000 0.238 158 S C 0.935 175.236 174.600 -0.500 0.000 0.998 158 S CA 0.763 58.831 58.200 -0.219 0.000 0.957 158 S CB -0.531 62.463 63.200 -0.344 0.000 0.764 158 S HN 0.601 nan 8.310 nan 0.000 0.514 159 M N 2.817 122.156 119.600 -0.436 0.000 3.709 159 M HA 0.033 4.511 4.480 -0.003 0.000 0.197 159 M C 0.378 176.422 176.300 -0.428 0.000 1.511 159 M CA 0.108 55.142 55.300 -0.442 0.000 1.688 159 M CB -0.712 31.637 32.600 -0.417 0.000 1.109 159 M HN 0.074 nan 8.290 nan 0.000 0.561 160 T N -1.718 112.523 114.554 -0.523 0.000 4.313 160 T HA 0.202 4.550 4.350 -0.003 0.000 0.272 160 T C 0.388 174.851 174.700 -0.395 0.000 1.298 160 T CA -0.681 61.114 62.100 -0.507 0.000 1.124 160 T CB -0.941 67.478 68.868 -0.748 0.000 1.352 160 T HN 0.449 nan 8.240 nan 0.000 1.013 161 C N 2.565 121.632 119.300 -0.388 0.000 2.727 161 C HA 0.272 4.730 4.460 -0.003 0.000 0.401 161 C C 1.125 175.805 174.990 -0.516 0.000 1.294 161 C CA -0.868 57.858 59.018 -0.487 0.000 2.134 161 C CB -0.466 26.944 27.740 -0.549 0.000 2.724 161 C HN 0.719 nan 8.230 nan 0.000 0.677 162 L N 2.375 123.277 121.223 -0.536 0.000 2.326 162 L HA 0.412 4.750 4.340 -0.003 0.000 0.278 162 L C -0.852 175.716 176.870 -0.503 0.000 1.092 162 L CA -0.048 54.563 54.840 -0.381 0.000 0.810 162 L CB 0.243 42.160 42.059 -0.236 0.000 1.153 162 L HN 0.626 nan 8.230 nan 0.000 0.439 163 Y N 1.563 121.858 120.300 -0.009 0.000 2.457 163 Y HA 0.423 4.971 4.550 -0.004 0.000 0.343 163 Y C -0.103 175.877 175.900 0.133 0.000 0.994 163 Y CA -0.819 57.331 58.100 0.082 0.000 1.031 163 Y CB 1.901 40.437 38.460 0.127 0.000 1.246 163 Y HN 0.457 nan 8.280 nan 0.000 0.449 164 R N 2.409 123.091 120.500 0.303 0.000 2.229 164 R HA 0.610 4.948 4.340 -0.003 0.000 0.328 164 R C -1.426 174.967 176.300 0.155 0.000 1.009 164 R CA -0.524 55.696 56.100 0.199 0.000 0.864 164 R CB 0.692 31.083 30.300 0.151 0.000 1.085 164 R HN 0.578 nan 8.270 nan 0.000 0.453 165 V N 4.782 124.759 119.914 0.105 0.000 2.508 165 V HA 0.140 4.258 4.120 -0.003 0.000 0.281 165 V C 0.212 176.272 176.094 -0.056 0.000 1.041 165 V CA 0.243 62.504 62.300 -0.066 0.000 1.016 165 V CB 0.985 32.842 31.823 0.057 0.000 0.984 165 V HN 0.822 nan 8.190 nan 0.000 0.478 166 E N 3.537 123.615 120.200 -0.203 0.000 2.288 166 E HA 0.404 4.752 4.350 -0.003 0.000 0.268 166 E C -0.174 176.365 176.600 -0.101 0.000 0.885 166 E CA -0.869 55.480 56.400 -0.086 0.000 0.767 166 E CB 1.310 30.977 29.700 -0.054 0.000 1.220 166 E HN 0.691 nan 8.360 nan 0.000 0.427 167 N N 2.784 121.469 118.700 -0.025 0.000 2.721 167 N HA -0.195 4.543 4.740 -0.003 0.000 0.249 167 N C -1.057 174.437 175.510 -0.025 0.000 1.072 167 N CA 1.225 54.263 53.050 -0.019 0.000 0.710 167 N CB -0.849 37.616 38.487 -0.037 0.000 0.993 167 N HN 0.719 nan 8.380 nan 0.000 0.547 168 D N -1.543 118.859 120.400 0.004 0.000 2.723 168 D HA -0.163 4.475 4.640 -0.003 0.000 0.236 168 D C 1.144 177.319 176.300 -0.208 0.000 1.138 168 D CA 2.206 56.167 54.000 -0.065 0.000 0.676 168 D CB -1.486 39.325 40.800 0.017 0.000 1.069 168 D HN 0.862 nan 8.370 nan 0.000 0.430 169 G N -1.423 107.213 108.800 -0.273 0.000 2.179 169 G HA2 -0.324 3.634 3.960 -0.003 0.000 0.220 169 G HA3 -0.324 3.634 3.960 -0.003 0.000 0.220 169 G C 1.078 175.925 174.900 -0.089 0.000 0.990 169 G CA 0.198 45.132 45.100 -0.277 0.000 0.646 169 G HN 0.403 nan 8.290 nan 0.000 0.517 170 I N 0.739 121.275 120.570 -0.056 0.000 2.133 170 I HA 0.055 4.222 4.170 -0.003 0.000 0.238 170 I C 1.310 177.605 176.117 0.296 0.000 1.074 170 I CA 1.619 63.001 61.300 0.136 0.000 1.342 170 I CB -0.826 37.195 38.000 0.034 0.000 1.053 170 I HN 0.386 nan 8.210 nan 0.000 0.404 171 N N -0.714 118.006 118.700 0.033 0.000 2.362 171 N HA 0.412 5.150 4.740 -0.003 0.000 0.299 171 N C -1.561 173.812 175.510 -0.228 0.000 1.170 171 N CA -0.389 52.741 53.050 0.133 0.000 0.825 171 N CB 1.488 40.026 38.487 0.084 0.000 1.299 171 N HN -0.157 nan 8.380 nan 0.000 0.502 172 F N 1.103 121.178 119.950 0.208 0.000 2.539 172 F HA 0.391 4.916 4.527 -0.003 0.000 0.328 172 F C -0.660 175.256 175.800 0.193 0.000 1.148 172 F CA -0.803 57.281 58.000 0.140 0.000 0.940 172 F CB 1.686 40.678 39.000 -0.014 0.000 1.194 172 F HN 0.051 nan 8.300 nan 0.000 0.438 173 V N 5.597 125.707 119.914 0.327 0.000 2.350 173 V HA 0.375 4.493 4.120 -0.003 0.000 0.276 173 V C -2.044 174.239 176.094 0.315 0.000 1.028 173 V CA -1.932 60.535 62.300 0.280 0.000 0.860 173 V CB 1.195 33.123 31.823 0.175 0.000 0.990 173 V HN 0.440 nan 8.190 nan 0.000 0.453 174 P HA 0.191 nan 4.420 nan 0.000 0.271 174 P C 0.397 177.698 177.300 0.002 0.000 1.216 174 P CA -0.056 63.096 63.100 0.088 0.000 0.771 174 P CB 1.420 33.166 31.700 0.077 0.000 0.864 175 L N 1.766 122.928 121.223 -0.102 0.000 2.567 175 L HA 0.059 4.397 4.340 -0.003 0.000 0.225 175 L C 0.425 177.245 176.870 -0.082 0.000 1.119 175 L CA 0.170 54.981 54.840 -0.049 0.000 0.871 175 L CB -1.072 40.962 42.059 -0.042 0.000 1.036 175 L HN 0.444 nan 8.230 nan 0.000 0.459 176 N N 0.461 119.074 118.700 -0.145 0.000 2.707 176 N HA -0.227 4.511 4.740 -0.003 0.000 0.253 176 N C 0.480 175.905 175.510 -0.141 0.000 0.998 176 N CA 0.189 53.168 53.050 -0.118 0.000 0.751 176 N CB -0.983 37.497 38.487 -0.012 0.000 0.920 176 N HN 0.344 nan 8.380 nan 0.000 0.539 177 L N -0.722 120.332 121.223 -0.281 0.000 2.693 177 L HA 0.298 4.636 4.340 -0.003 0.000 0.235 177 L C 1.438 177.922 176.870 -0.643 0.000 1.127 177 L CA 0.292 54.905 54.840 -0.378 0.000 0.914 177 L CB -0.115 41.731 42.059 -0.356 0.000 1.193 177 L HN 0.504 nan 8.230 nan 0.000 0.502 178 G N 1.211 109.480 108.800 -0.885 0.000 2.760 178 G HA2 -0.183 3.775 3.960 -0.003 0.000 0.246 178 G HA3 -0.183 3.775 3.960 -0.003 0.000 0.246 178 G C -2.766 171.610 174.900 -0.875 0.000 1.359 178 G CA -0.931 43.227 45.100 -1.570 0.000 0.861 178 G HN 0.012 nan 8.290 nan 0.000 0.541 179 P HA 0.491 nan 4.420 nan 0.000 0.267 179 P C -0.138 176.962 177.300 -0.334 0.000 1.205 179 P CA 1.072 63.895 63.100 -0.461 0.000 0.765 179 P CB 1.220 32.694 31.700 -0.377 0.000 0.828 180 A N 2.628 125.288 122.820 -0.267 0.000 2.594 180 A HA 0.591 4.908 4.320 -0.003 0.000 0.295 180 A C 0.553 178.084 177.584 -0.088 0.000 1.071 180 A CA -0.339 51.606 52.037 -0.154 0.000 0.685 180 A CB 0.973 19.868 19.000 -0.174 0.000 1.285 180 A HN 0.371 nan 8.150 nan 0.000 0.405 181 T N 0.134 114.705 114.554 0.029 0.000 2.978 181 T HA 0.257 4.605 4.350 -0.003 0.000 0.248 181 T C -0.087 174.571 174.700 -0.071 0.000 1.018 181 T CA 1.178 63.324 62.100 0.076 0.000 1.026 181 T CB -0.165 68.883 68.868 0.300 0.000 1.032 181 T HN 0.714 nan 8.240 nan 0.000 0.485 182 H N -0.460 118.620 119.070 0.016 0.000 2.851 182 H HA 0.681 5.235 4.556 -0.003 0.000 0.372 182 H C -1.468 173.862 175.328 0.004 0.000 1.158 182 H CA -0.989 55.076 56.048 0.029 0.000 1.159 182 H CB 1.922 31.715 29.762 0.051 0.000 1.757 182 H HN 0.037 nan 8.280 nan 0.000 0.546 183 I N 3.201 123.847 120.570 0.127 0.000 2.531 183 I HA 0.347 4.514 4.170 -0.003 0.000 0.283 183 I C -1.824 174.336 176.117 0.072 0.000 1.083 183 I CA -0.176 61.143 61.300 0.032 0.000 1.071 183 I CB 0.315 38.319 38.000 0.007 0.000 1.210 183 I HN 0.486 nan 8.210 nan 0.000 0.450 184 L N 6.239 127.460 121.223 -0.003 0.000 2.331 184 L HA 0.667 5.005 4.340 -0.003 0.000 0.268 184 L C -1.131 175.662 176.870 -0.130 0.000 1.015 184 L CA -0.821 54.085 54.840 0.110 0.000 0.807 184 L CB 1.406 43.556 42.059 0.151 0.000 1.293 184 L HN 0.359 nan 8.230 nan 0.000 0.451 185 F N 0.226 120.267 119.950 0.152 0.000 2.556 185 F HA 0.744 5.269 4.527 -0.004 0.000 0.314 185 F C -0.142 175.733 175.800 0.125 0.000 1.106 185 F CA -0.631 57.451 58.000 0.137 0.000 0.911 185 F CB 2.176 41.256 39.000 0.132 0.000 1.190 185 F HN 0.384 nan 8.300 nan 0.000 0.448 186 A N 2.100 125.077 122.820 0.262 0.000 2.466 186 A HA 0.568 4.886 4.320 -0.003 0.000 0.284 186 A C -0.850 176.852 177.584 0.198 0.000 1.049 186 A CA -0.786 51.379 52.037 0.213 0.000 0.760 186 A CB 0.619 19.731 19.000 0.186 0.000 1.274 186 A HN 0.868 nan 8.150 nan 0.000 0.412 187 D N 1.880 122.398 120.400 0.198 0.000 2.772 187 D HA -0.208 4.430 4.640 -0.003 0.000 0.233 187 D C 1.056 177.439 176.300 0.138 0.000 1.143 187 D CA 2.419 56.516 54.000 0.163 0.000 0.700 187 D CB -1.283 39.608 40.800 0.152 0.000 1.076 187 D HN 2.220 nan 8.370 nan 0.000 0.430 188 G N 0.075 108.979 108.800 0.175 0.000 2.160 188 G HA2 -0.359 3.599 3.960 -0.003 0.000 0.251 188 G HA3 -0.359 3.599 3.960 -0.003 0.000 0.251 188 G C 0.156 175.154 174.900 0.163 0.000 1.008 188 G CA 0.488 45.694 45.100 0.177 0.000 0.724 188 G HN 0.512 nan 8.290 nan 0.000 0.514 189 R N 0.018 120.611 120.500 0.155 0.000 2.480 189 R HA 0.433 4.771 4.340 -0.003 0.000 0.306 189 R C 0.291 176.593 176.300 0.003 0.000 0.958 189 R CA -0.956 55.177 56.100 0.056 0.000 0.861 189 R CB 1.397 31.710 30.300 0.021 0.000 1.171 189 R HN 0.236 nan 8.270 nan 0.000 0.445 190 R N 1.674 122.131 120.500 -0.072 0.000 2.389 190 R HA 0.229 4.567 4.340 -0.003 0.000 0.295 190 R C -0.349 175.931 176.300 -0.034 0.000 1.075 190 R CA -0.290 55.691 56.100 -0.199 0.000 1.005 190 R CB 0.832 31.157 30.300 0.043 0.000 0.987 190 R HN 0.222 nan 8.270 nan 0.000 0.452 191 V N 5.734 125.584 119.914 -0.105 0.000 2.378 191 V HA 0.369 4.487 4.120 -0.003 0.000 0.288 191 V C 0.140 176.266 176.094 0.053 0.000 1.016 191 V CA -0.613 61.713 62.300 0.045 0.000 0.840 191 V CB 1.447 33.294 31.823 0.042 0.000 0.994 191 V HN 0.621 nan 8.190 nan 0.000 0.431 192 I N 3.936 124.595 120.570 0.148 0.000 2.354 192 I HA 0.594 4.762 4.170 -0.003 0.000 0.292 192 I C 0.803 176.987 176.117 0.111 0.000 0.989 192 I CA -0.270 61.080 61.300 0.084 0.000 1.188 192 I CB 1.798 39.796 38.000 -0.004 0.000 1.342 192 I HN 0.710 nan 8.210 nan 0.000 0.457 193 G N 6.317 115.167 108.800 0.083 0.000 2.415 193 G HA2 0.484 4.442 3.960 -0.003 0.000 0.317 193 G HA3 0.484 4.442 3.960 -0.003 0.000 0.317 193 G C -0.355 174.583 174.900 0.063 0.000 1.152 193 G CA -0.604 44.533 45.100 0.062 0.000 0.956 193 G HN 0.540 nan 8.290 nan 0.000 0.458 194 R N 2.105 122.632 120.500 0.046 0.000 2.254 194 R HA 0.185 4.523 4.340 -0.003 0.000 0.318 194 R C 0.298 176.596 176.300 -0.004 0.000 1.031 194 R CA -0.373 55.749 56.100 0.038 0.000 0.905 194 R CB 0.645 30.988 30.300 0.073 0.000 1.050 194 R HN 0.841 nan 8.270 nan 0.000 0.456 195 N N 0.268 118.964 118.700 -0.007 0.000 2.721 195 N HA -0.201 4.537 4.740 -0.003 0.000 0.249 195 N C 0.021 175.202 175.510 -0.548 0.000 1.072 195 N CA 0.940 53.825 53.050 -0.275 0.000 0.710 195 N CB -0.771 37.722 38.487 0.010 0.000 0.993 195 N HN 0.713 nan 8.380 nan 0.000 0.547 196 T N -2.556 111.808 114.554 -0.315 0.000 3.272 196 T HA 0.201 4.549 4.350 -0.003 0.000 0.250 196 T C 0.482 175.168 174.700 -0.023 0.000 1.082 196 T CA -0.491 61.466 62.100 -0.238 0.000 0.968 196 T CB -0.553 68.198 68.868 -0.193 0.000 1.015 196 T HN 0.348 nan 8.240 nan 0.000 0.563 197 F N 0.804 121.000 119.950 0.409 0.000 2.399 197 F HA 0.660 5.185 4.527 -0.003 0.000 0.313 197 F C 0.435 176.496 175.800 0.435 0.000 1.202 197 F CA -1.846 56.397 58.000 0.405 0.000 1.192 197 F CB 0.314 39.523 39.000 0.348 0.000 1.256 197 F HN -0.162 nan 8.300 nan 0.000 0.558 198 E N 1.105 121.673 120.200 0.613 0.000 2.383 198 E HA 0.232 4.580 4.350 -0.003 0.000 0.264 198 E C -0.454 176.406 176.600 0.433 0.000 1.050 198 E CA -0.055 56.629 56.400 0.472 0.000 0.896 198 E CB 1.134 31.061 29.700 0.378 0.000 0.982 198 E HN 0.630 nan 8.360 nan 0.000 0.424 199 L N 4.053 125.400 121.223 0.206 0.000 2.637 199 L HA 0.173 4.511 4.340 -0.003 0.000 0.241 199 L C -1.533 175.294 176.870 -0.072 0.000 1.398 199 L CA -1.327 53.509 54.840 -0.007 0.000 0.895 199 L CB 1.129 42.975 42.059 -0.355 0.000 1.183 199 L HN 0.232 nan 8.230 nan 0.000 0.497 200 P HA -0.192 nan 4.420 nan 0.000 0.220 200 P C 1.156 178.477 177.300 0.035 0.000 1.148 200 P CA 1.349 64.475 63.100 0.042 0.000 0.803 200 P CB -0.068 31.700 31.700 0.113 0.000 0.782 201 H N -4.110 115.025 119.070 0.109 0.000 2.547 201 H HA -0.009 4.545 4.556 -0.003 0.000 0.272 201 H C -0.013 175.429 175.328 0.189 0.000 0.989 201 H CA 0.225 56.346 56.048 0.122 0.000 1.214 201 H CB -0.458 29.398 29.762 0.156 0.000 1.389 201 H HN 0.189 nan 8.280 nan 0.000 0.577 202 W N 2.790 123.856 121.300 -0.390 0.000 2.451 202 W HA 0.380 5.038 4.660 -0.004 0.000 0.285 202 W C -1.123 175.319 176.519 -0.129 0.000 1.024 202 W CA -1.874 55.343 57.345 -0.213 0.000 1.421 202 W CB 0.640 29.928 29.460 -0.287 0.000 1.319 202 W HN -0.154 nan 8.180 nan 0.000 0.366 203 K N 1.438 122.001 120.400 0.271 0.000 2.270 203 K HA 0.474 4.792 4.320 -0.003 0.000 0.276 203 K C 1.060 177.809 176.600 0.248 0.000 1.023 203 K CA 0.617 56.991 56.287 0.145 0.000 0.955 203 K CB 0.883 33.374 32.500 -0.016 0.000 0.975 203 K HN 0.594 nan 8.250 nan 0.000 0.471 204 G N 1.882 110.788 108.800 0.176 0.000 2.160 204 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.251 204 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.251 204 G C -0.347 174.539 174.900 -0.022 0.000 1.008 204 G CA 0.170 45.344 45.100 0.123 0.000 0.724 204 G HN 0.651 nan 8.290 nan 0.000 0.514 205 Y N 1.004 121.078 120.300 -0.378 0.000 2.620 205 Y HA 0.450 4.998 4.550 -0.003 0.000 0.330 205 Y C 1.244 176.869 175.900 -0.458 0.000 1.186 205 Y CA -0.145 57.424 58.100 -0.885 0.000 1.467 205 Y CB 0.435 38.163 38.460 -1.219 0.000 1.262 205 Y HN 0.208 nan 8.280 nan 0.000 0.550 206 R N 4.028 123.878 120.500 -1.085 0.000 2.642 206 R HA 0.287 4.625 4.340 -0.003 0.000 0.435 206 R C 0.528 176.297 176.300 -0.885 0.000 1.046 206 R CA 0.044 55.687 56.100 -0.762 0.000 1.103 206 R CB 0.584 30.708 30.300 -0.294 0.000 1.425 206 R HN 0.813 nan 8.270 nan 0.000 0.586 207 G N -0.738 107.031 108.800 -1.719 0.000 2.588 207 G HA2 0.293 4.251 3.960 -0.003 0.000 0.281 207 G HA3 0.293 4.251 3.960 -0.003 0.000 0.281 207 G C 0.976 175.595 174.900 -0.467 0.000 1.236 207 G CA -0.236 44.351 45.100 -0.855 0.000 0.969 207 G HN 0.167 nan 8.290 nan 0.000 0.504 208 G N -1.313 107.370 108.800 -0.194 0.000 2.498 208 G HA2 -0.079 3.879 3.960 -0.003 0.000 0.219 208 G HA3 -0.079 3.879 3.960 -0.003 0.000 0.219 208 G C 1.222 176.122 174.900 0.001 0.000 1.119 208 G CA 1.450 46.479 45.100 -0.118 0.000 0.766 208 G HN 0.621 nan 8.290 nan 0.000 0.552 209 T N 0.720 115.416 114.554 0.237 0.000 3.235 209 T HA 0.176 4.524 4.350 -0.003 0.000 0.251 209 T C 0.961 175.888 174.700 0.378 0.000 1.060 209 T CA -0.581 61.682 62.100 0.271 0.000 0.949 209 T CB -0.071 69.067 68.868 0.449 0.000 1.020 209 T HN 0.570 nan 8.240 nan 0.000 0.564 210 R N 1.271 121.957 120.500 0.309 0.000 2.590 210 R HA 0.426 4.764 4.340 -0.003 0.000 0.274 210 R C 0.556 176.937 176.300 0.135 0.000 1.061 210 R CA -0.526 55.765 56.100 0.317 0.000 1.081 210 R CB 0.075 30.344 30.300 -0.052 0.000 0.984 210 R HN 0.108 nan 8.270 nan 0.000 0.448 211 G N 2.525 111.352 108.800 0.045 0.000 2.305 211 G HA2 0.094 4.052 3.960 -0.003 0.000 0.243 211 G HA3 0.094 4.052 3.960 -0.003 0.000 0.243 211 G C -0.667 174.083 174.900 -0.251 0.000 1.288 211 G CA -0.432 44.507 45.100 -0.269 0.000 0.901 211 G HN 0.608 nan 8.290 nan 0.000 0.516 212 K N 0.998 121.310 120.400 -0.147 0.000 2.444 212 K HA 0.578 4.896 4.320 -0.003 0.000 0.252 212 K C -0.843 175.723 176.600 -0.057 0.000 0.993 212 K CA -0.831 55.381 56.287 -0.126 0.000 0.847 212 K CB 2.611 35.103 32.500 -0.013 0.000 1.340 212 K HN 0.369 nan 8.250 nan 0.000 0.446 213 I N 1.032 121.538 120.570 -0.107 0.000 2.498 213 I HA 0.395 4.563 4.170 -0.003 0.000 0.290 213 I C -1.125 175.006 176.117 0.023 0.000 1.032 213 I CA -0.754 60.542 61.300 -0.007 0.000 1.073 213 I CB 1.156 39.097 38.000 -0.098 0.000 1.251 213 I HN 0.438 nan 8.210 nan 0.000 0.426 214 W N 6.100 127.405 121.300 0.008 0.000 2.703 214 W HA 0.797 5.455 4.660 -0.003 0.000 0.359 214 W C -0.539 176.064 176.519 0.139 0.000 1.168 214 W CA -0.610 56.788 57.345 0.089 0.000 1.177 214 W CB 1.235 30.775 29.460 0.133 0.000 1.434 214 W HN 0.203 nan 8.180 nan 0.000 0.618 215 I N 0.414 121.253 120.570 0.447 0.000 2.787 215 I HA 0.157 4.325 4.170 -0.003 0.000 0.294 215 I C -0.743 175.380 176.117 0.010 0.000 1.365 215 I CA -0.795 60.642 61.300 0.228 0.000 1.029 215 I CB 1.822 39.878 38.000 0.093 0.000 1.313 215 I HN 0.396 nan 8.210 nan 0.000 0.431 216 E N 4.232 124.215 120.200 -0.362 0.000 2.366 216 E HA 0.324 4.672 4.350 -0.003 0.000 0.266 216 E C 0.073 176.484 176.600 -0.315 0.000 1.051 216 E CA 0.008 55.922 56.400 -0.810 0.000 0.884 216 E CB 1.196 30.393 29.700 -0.838 0.000 1.006 216 E HN 0.492 nan 8.360 nan 0.000 0.417 217 V N 0.372 120.133 119.914 -0.254 0.000 3.332 217 V HA 0.324 4.442 4.120 -0.003 0.000 0.263 217 V C 0.114 176.156 176.094 -0.087 0.000 1.562 217 V CA 0.010 62.243 62.300 -0.112 0.000 1.040 217 V CB 0.367 32.156 31.823 -0.056 0.000 0.857 217 V HN 0.579 nan 8.190 nan 0.000 0.428 218 N N 1.808 120.444 118.700 -0.105 0.000 2.726 218 N HA 0.226 4.964 4.740 -0.003 0.000 0.253 218 N C 0.371 175.853 175.510 -0.046 0.000 1.530 218 N CA 0.580 53.596 53.050 -0.057 0.000 0.772 218 N CB 0.657 39.120 38.487 -0.040 0.000 1.220 218 N HN 0.577 nan 8.380 nan 0.000 0.508 219 S N 0.248 115.921 115.700 -0.045 0.000 3.262 219 S HA -0.182 4.286 4.470 -0.003 0.000 0.367 219 S C 1.138 175.760 174.600 0.036 0.000 0.914 219 S CA 1.120 59.318 58.200 -0.003 0.000 1.249 219 S CB -1.777 61.438 63.200 0.025 0.000 0.872 219 S HN 1.046 nan 8.310 nan 0.000 0.467 220 G N -1.331 107.485 108.800 0.027 0.000 3.468 220 G HA2 0.388 4.346 3.960 -0.003 0.000 0.219 220 G HA3 0.388 4.346 3.960 -0.003 0.000 0.219 220 G C 0.046 175.082 174.900 0.227 0.000 0.968 220 G CA -0.073 45.129 45.100 0.169 0.000 0.851 220 G HN 1.756 nan 8.290 nan 0.000 0.524 221 A N 0.478 123.320 122.820 0.035 0.000 2.290 221 A HA 0.840 5.158 4.320 -0.003 0.000 0.310 221 A C -0.975 176.643 177.584 0.057 0.000 1.202 221 A CA -0.245 51.819 52.037 0.045 0.000 0.837 221 A CB 0.588 19.550 19.000 -0.063 0.000 1.139 221 A HN 0.368 nan 8.150 nan 0.000 0.509 222 F N 0.934 121.104 119.950 0.366 0.000 2.538 222 F HA 0.646 5.171 4.527 -0.003 0.000 0.325 222 F C 0.394 176.512 175.800 0.531 0.000 1.066 222 F CA -0.434 57.828 58.000 0.438 0.000 0.946 222 F CB 2.392 41.650 39.000 0.429 0.000 1.199 222 F HN 0.567 nan 8.300 nan 0.000 0.473 223 K N 2.640 123.389 120.400 0.582 0.000 2.482 223 K HA 0.323 4.641 4.320 -0.003 0.000 0.251 223 K C -1.244 175.324 176.600 -0.054 0.000 0.936 223 K CA -0.843 55.605 56.287 0.269 0.000 0.791 223 K CB 1.874 34.428 32.500 0.090 0.000 1.213 223 K HN 0.677 nan 8.250 nan 0.000 0.428 224 K N 5.648 125.552 120.400 -0.827 0.000 2.383 224 K HA 0.110 4.428 4.320 -0.003 0.000 0.286 224 K C 0.845 177.104 176.600 -0.568 0.000 1.051 224 K CA -0.031 55.460 56.287 -1.328 0.000 0.974 224 K CB 0.304 31.694 32.500 -1.851 0.000 0.968 224 K HN 0.701 nan 8.250 nan 0.000 0.475 225 I N 0.863 121.206 120.570 -0.379 0.000 4.032 225 I HA 0.154 4.322 4.170 -0.003 0.000 0.313 225 I C -0.436 175.559 176.117 -0.203 0.000 1.272 225 I CA -0.488 60.684 61.300 -0.214 0.000 1.307 225 I CB 0.891 38.830 38.000 -0.102 0.000 1.155 225 I HN 0.071 nan 8.210 nan 0.000 0.431 226 V N 3.153 122.918 119.914 -0.249 0.000 2.376 226 V HA 0.449 4.567 4.120 -0.003 0.000 0.287 226 V C -1.299 174.611 176.094 -0.307 0.000 1.015 226 V CA -0.214 61.922 62.300 -0.275 0.000 0.834 226 V CB 1.340 32.939 31.823 -0.374 0.000 1.001 226 V HN 0.255 nan 8.190 nan 0.000 0.428 227 D N 5.228 125.469 120.400 -0.265 0.000 2.714 227 D HA 0.350 4.988 4.640 -0.003 0.000 0.264 227 D C -0.177 176.004 176.300 -0.198 0.000 1.231 227 D CA -0.262 53.598 54.000 -0.234 0.000 0.802 227 D CB 0.791 41.457 40.800 -0.223 0.000 1.319 227 D HN 0.376 nan 8.370 nan 0.000 0.528 228 M N -0.035 119.432 119.600 -0.221 0.000 1.921 228 M HA 0.120 4.598 4.480 -0.003 0.000 0.243 228 M C 2.056 178.263 176.300 -0.156 0.000 1.280 228 M CA -0.113 55.079 55.300 -0.180 0.000 0.988 228 M CB 0.913 33.389 32.600 -0.207 0.000 1.336 228 M HN 0.209 nan 8.290 nan 0.000 0.496 229 S N -1.478 114.146 115.700 -0.127 0.000 2.436 229 S HA -0.030 4.438 4.470 -0.003 0.000 0.228 229 S C 0.850 175.360 174.600 -0.150 0.000 1.014 229 S CA 0.871 59.004 58.200 -0.112 0.000 0.950 229 S CB -0.737 62.419 63.200 -0.074 0.000 0.784 229 S HN 0.843 nan 8.310 nan 0.000 0.504 230 T N -1.024 113.445 114.554 -0.143 0.000 2.893 230 T HA 0.457 4.805 4.350 -0.003 0.000 0.279 230 T C -0.301 174.330 174.700 -0.115 0.000 0.991 230 T CA -0.712 61.308 62.100 -0.133 0.000 0.950 230 T CB 0.474 69.303 68.868 -0.064 0.000 1.223 230 T HN 0.352 nan 8.240 nan 0.000 0.585 231 H N -0.755 118.236 119.070 -0.133 0.000 2.722 231 H HA 0.511 5.065 4.556 -0.004 0.000 0.328 231 H C -0.912 174.366 175.328 -0.083 0.000 1.067 231 H CA -0.087 55.917 56.048 -0.073 0.000 1.447 231 H CB 0.244 30.034 29.762 0.045 0.000 1.469 231 H HN 0.457 nan 8.280 nan 0.000 0.544 232 V N 5.737 125.222 119.914 -0.715 0.000 2.384 232 V HA 0.349 4.467 4.120 -0.003 0.000 0.287 232 V C -0.348 175.356 176.094 -0.649 0.000 1.020 232 V CA -0.295 61.661 62.300 -0.572 0.000 0.850 232 V CB 1.204 32.626 31.823 -0.668 0.000 0.987 232 V HN 0.992 nan 8.190 nan 0.000 0.436 233 S N 2.389 117.928 115.700 -0.269 0.000 2.599 233 S HA 0.655 5.123 4.470 -0.003 0.000 0.294 233 S C -0.102 174.491 174.600 -0.012 0.000 1.094 233 S CA -0.444 57.695 58.200 -0.102 0.000 0.931 233 S CB 1.780 65.072 63.200 0.154 0.000 1.093 233 S HN 0.973 nan 8.310 nan 0.000 0.488 234 S N 2.030 117.697 115.700 -0.055 0.000 3.356 234 S HA -0.074 4.394 4.470 -0.003 0.000 0.376 234 S C -2.275 172.296 174.600 -0.048 0.000 0.924 234 S CA 0.555 58.727 58.200 -0.047 0.000 1.316 234 S CB -1.731 61.550 63.200 0.136 0.000 0.922 234 S HN 0.792 nan 8.310 nan 0.000 0.553 235 P HA 0.525 nan 4.420 nan 0.000 0.279 235 P C -0.172 177.189 177.300 0.102 0.000 1.239 235 P CA -0.399 62.710 63.100 0.016 0.000 0.789 235 P CB 1.384 33.053 31.700 -0.051 0.000 0.933 236 V N 0.498 120.525 119.914 0.188 0.000 3.114 236 V HA 0.613 4.731 4.120 -0.003 0.000 0.308 236 V C -0.537 175.708 176.094 0.251 0.000 1.168 236 V CA -1.072 61.351 62.300 0.205 0.000 1.015 236 V CB 2.372 34.303 31.823 0.180 0.000 1.050 236 V HN 0.333 nan 8.190 nan 0.000 0.433 237 I N 2.100 122.800 120.570 0.218 0.000 2.448 237 I HA 0.488 4.656 4.170 -0.003 0.000 0.281 237 I C -0.982 175.233 176.117 0.163 0.000 1.027 237 I CA -0.716 60.719 61.300 0.224 0.000 1.111 237 I CB 1.970 40.078 38.000 0.179 0.000 1.236 237 I HN 0.444 nan 8.210 nan 0.000 0.452 238 V N 6.428 126.459 119.914 0.195 0.000 2.334 238 V HA 0.678 4.796 4.120 -0.003 0.000 0.281 238 V C 0.894 177.043 176.094 0.091 0.000 1.016 238 V CA 0.396 62.734 62.300 0.063 0.000 0.832 238 V CB 0.565 32.322 31.823 -0.110 0.000 0.999 238 V HN 1.095 nan 8.190 nan 0.000 0.439 239 G N 4.891 113.669 108.800 -0.036 0.000 2.720 239 G HA2 -0.297 3.661 3.960 -0.003 0.000 0.293 239 G HA3 -0.297 3.661 3.960 -0.003 0.000 0.293 239 G C 0.202 174.879 174.900 -0.373 0.000 1.256 239 G CA 0.762 45.761 45.100 -0.168 0.000 0.974 239 G HN 0.859 nan 8.290 nan 0.000 0.551 240 H N 1.139 120.288 119.070 0.133 0.000 2.651 240 H HA 0.541 5.095 4.556 -0.004 0.000 0.241 240 H C 0.466 175.861 175.328 0.111 0.000 1.225 240 H CA -0.321 55.794 56.048 0.112 0.000 0.942 240 H CB 0.547 30.358 29.762 0.082 0.000 1.996 240 H HN 0.414 nan 8.280 nan 0.000 0.600 241 R N 0.840 121.469 120.500 0.215 0.000 2.686 241 R HA 0.499 4.837 4.340 -0.003 0.000 0.283 241 R C -1.003 175.386 176.300 0.148 0.000 0.978 241 R CA -0.881 55.291 56.100 0.120 0.000 0.897 241 R CB 2.569 32.882 30.300 0.022 0.000 1.192 241 R HN 0.112 nan 8.270 nan 0.000 0.457 242 I N 3.039 123.638 120.570 0.049 0.000 2.315 242 I HA 0.265 4.433 4.170 -0.003 0.000 0.291 242 I C -0.783 175.322 176.117 -0.021 0.000 1.006 242 I CA -0.585 60.806 61.300 0.151 0.000 1.265 242 I CB 0.513 38.640 38.000 0.212 0.000 1.387 242 I HN 0.353 nan 8.210 nan 0.000 0.475 243 Y N 6.996 127.301 120.300 0.008 0.000 2.330 243 Y HA 0.592 5.140 4.550 -0.004 0.000 0.336 243 Y C -0.024 175.827 175.900 -0.081 0.000 1.036 243 Y CA -0.704 57.284 58.100 -0.188 0.000 1.125 243 Y CB 1.091 39.448 38.460 -0.172 0.000 1.194 243 Y HN 0.453 nan 8.280 nan 0.000 0.469 244 F N 0.069 120.074 119.950 0.091 0.000 2.894 244 F HA 0.864 5.389 4.527 -0.003 0.000 0.332 244 F C -1.616 174.219 175.800 0.059 0.000 1.192 244 F CA -2.055 55.963 58.000 0.031 0.000 0.980 244 F CB 1.061 40.036 39.000 -0.043 0.000 1.448 244 F HN 0.127 nan 8.300 nan 0.000 0.514 245 I N 0.478 121.292 120.570 0.406 0.000 2.608 245 I HA 0.670 4.838 4.170 -0.003 0.000 0.295 245 I C -0.574 175.725 176.117 0.304 0.000 1.049 245 I CA -0.585 60.897 61.300 0.303 0.000 1.063 245 I CB 2.259 40.377 38.000 0.196 0.000 1.248 245 I HN 0.853 nan 8.210 nan 0.000 0.424 246 T N 1.795 116.506 114.554 0.262 0.000 2.802 246 T HA 0.286 4.634 4.350 -0.003 0.000 0.311 246 T C -1.802 172.984 174.700 0.143 0.000 1.405 246 T CA -0.550 61.624 62.100 0.124 0.000 1.016 246 T CB 1.522 70.364 68.868 -0.044 0.000 1.352 246 T HN 0.773 nan 8.240 nan 0.000 0.498 247 D N 2.070 122.535 120.400 0.109 0.000 2.891 247 D HA 0.162 4.800 4.640 -0.003 0.000 0.332 247 D C 1.197 177.551 176.300 0.091 0.000 1.369 247 D CA -0.405 53.666 54.000 0.118 0.000 0.827 247 D CB -0.479 40.424 40.800 0.173 0.000 1.141 247 D HN 0.491 nan 8.370 nan 0.000 0.464 248 I N 0.018 120.606 120.570 0.030 0.000 2.454 248 I HA -0.206 3.962 4.170 -0.003 0.000 0.254 248 I C 0.507 176.659 176.117 0.057 0.000 1.156 248 I CA 1.240 62.543 61.300 0.005 0.000 1.433 248 I CB 0.368 38.320 38.000 -0.080 0.000 1.082 248 I HN -0.163 nan 8.210 nan 0.000 0.432 249 D N 0.620 121.087 120.400 0.112 0.000 2.340 249 D HA 0.152 4.790 4.640 -0.003 0.000 0.220 249 D C 1.433 177.805 176.300 0.120 0.000 1.039 249 D CA 1.045 55.116 54.000 0.117 0.000 0.866 249 D CB 0.548 41.438 40.800 0.149 0.000 0.913 249 D HN 0.543 nan 8.370 nan 0.000 0.523 250 G N -0.370 108.514 108.800 0.139 0.000 2.192 250 G HA2 -0.192 3.766 3.960 -0.003 0.000 0.193 250 G HA3 -0.192 3.766 3.960 -0.003 0.000 0.193 250 G C 0.064 175.118 174.900 0.257 0.000 0.999 250 G CA -0.280 44.924 45.100 0.174 0.000 0.659 250 G HN 0.293 nan 8.290 nan 0.000 0.503 251 F N 0.229 120.162 119.950 -0.029 0.000 2.693 251 F HA 0.585 5.110 4.527 -0.003 0.000 0.309 251 F C 0.412 176.017 175.800 -0.324 0.000 1.129 251 F CA -0.087 57.740 58.000 -0.287 0.000 0.948 251 F CB 1.072 39.928 39.000 -0.241 0.000 1.315 251 F HN 0.396 nan 8.300 nan 0.000 0.447 252 G N 3.263 111.319 108.800 -1.240 0.000 2.378 252 G HA2 0.513 4.471 3.960 -0.003 0.000 0.255 252 G HA3 0.513 4.471 3.960 -0.003 0.000 0.255 252 G C -1.250 173.680 174.900 0.049 0.000 1.270 252 G CA -0.075 44.779 45.100 -0.409 0.000 0.876 252 G HN 0.444 nan 8.290 nan 0.000 0.521 253 Q N 0.594 120.506 119.800 0.187 0.000 2.590 253 Q HA 0.371 4.709 4.340 -0.003 0.000 0.295 253 Q C -0.664 175.392 176.000 0.094 0.000 0.973 253 Q CA -0.696 55.179 55.803 0.120 0.000 0.768 253 Q CB 2.242 30.965 28.738 -0.024 0.000 1.479 253 Q HN 0.540 nan 8.270 nan 0.000 0.419 254 I N 1.187 121.643 120.570 -0.190 0.000 2.428 254 I HA 0.433 4.601 4.170 -0.003 0.000 0.296 254 I C -0.819 175.130 176.117 -0.280 0.000 0.985 254 I CA -0.432 60.737 61.300 -0.219 0.000 1.260 254 I CB 0.634 38.335 38.000 -0.499 0.000 1.389 254 I HN 0.438 nan 8.210 nan 0.000 0.484 255 Y N 2.423 122.521 120.300 -0.336 0.000 2.715 255 Y HA 0.653 5.201 4.550 -0.003 0.000 0.331 255 Y C 0.007 175.454 175.900 -0.756 0.000 1.197 255 Y CA -0.831 57.060 58.100 -0.349 0.000 1.079 255 Y CB 1.956 40.138 38.460 -0.462 0.000 1.298 255 Y HN 0.588 nan 8.280 nan 0.000 0.477 256 S N -0.649 114.795 115.700 -0.427 0.000 2.587 256 S HA 0.852 5.320 4.470 -0.003 0.000 0.269 256 S C -1.120 173.313 174.600 -0.279 0.000 1.154 256 S CA -0.372 57.417 58.200 -0.684 0.000 0.824 256 S CB 1.918 64.297 63.200 -1.369 0.000 1.118 256 S HN 1.138 nan 8.310 nan 0.000 0.462 257 T N -1.642 112.809 114.554 -0.173 0.000 2.840 257 T HA 0.639 4.987 4.350 -0.003 0.000 0.317 257 T C -1.229 173.468 174.700 -0.004 0.000 1.401 257 T CA -0.630 61.459 62.100 -0.020 0.000 1.028 257 T CB 0.760 69.684 68.868 0.094 0.000 1.317 257 T HN 0.864 nan 8.240 nan 0.000 0.495 258 D N 0.937 121.349 120.400 0.020 0.000 2.369 258 D HA 0.151 4.789 4.640 -0.003 0.000 0.241 258 D C 1.173 177.508 176.300 0.058 0.000 1.271 258 D CA -0.842 53.185 54.000 0.045 0.000 0.942 258 D CB 0.246 41.068 40.800 0.036 0.000 1.129 258 D HN 0.553 nan 8.370 nan 0.000 0.476 259 L N -0.483 120.784 121.223 0.074 0.000 2.821 259 L HA 0.021 4.359 4.340 -0.003 0.000 0.254 259 L C 0.383 177.275 176.870 0.038 0.000 1.151 259 L CA 0.748 55.630 54.840 0.071 0.000 0.937 259 L CB -0.648 41.465 42.059 0.089 0.000 1.141 259 L HN 0.398 nan 8.230 nan 0.000 0.425 260 D N -0.379 120.036 120.400 0.024 0.000 2.594 260 D HA 0.123 4.761 4.640 -0.003 0.000 0.256 260 D C 1.372 177.664 176.300 -0.012 0.000 1.393 260 D CA 0.592 54.592 54.000 0.000 0.000 0.797 260 D CB 1.210 42.007 40.800 -0.005 0.000 1.110 260 D HN 0.278 nan 8.370 nan 0.000 0.495 261 G N 1.808 110.610 108.800 0.003 0.000 2.180 261 G HA2 -0.292 3.666 3.960 -0.003 0.000 0.263 261 G HA3 -0.292 3.666 3.960 -0.003 0.000 0.263 261 G C 0.580 175.481 174.900 0.001 0.000 0.989 261 G CA 0.704 45.803 45.100 -0.003 0.000 0.692 261 G HN 0.115 nan 8.290 nan 0.000 0.526 262 K N 0.010 120.412 120.400 0.004 0.000 2.210 262 K HA 0.531 4.849 4.320 -0.003 0.000 0.236 262 K C 0.517 177.122 176.600 0.008 0.000 1.016 262 K CA -0.370 55.917 56.287 0.000 0.000 0.913 262 K CB 0.479 32.975 32.500 -0.006 0.000 1.141 262 K HN 0.152 nan 8.250 nan 0.000 0.462 263 D N 0.832 121.234 120.400 0.002 0.000 2.746 263 D HA -0.179 4.459 4.640 -0.003 0.000 0.241 263 D C -0.897 175.403 176.300 0.001 0.000 1.140 263 D CA 0.177 54.177 54.000 -0.001 0.000 0.707 263 D CB -0.853 39.947 40.800 -0.000 0.000 1.034 263 D HN 0.381 nan 8.370 nan 0.000 0.423 264 L N 1.289 122.521 121.223 0.015 0.000 2.456 264 L HA 0.422 4.760 4.340 -0.003 0.000 0.272 264 L C 0.327 177.205 176.870 0.012 0.000 1.189 264 L CA 0.657 55.522 54.840 0.041 0.000 0.846 264 L CB 0.507 42.608 42.059 0.069 0.000 1.111 264 L HN 0.254 nan 8.230 nan 0.000 0.475 265 R N 3.770 124.268 120.500 -0.003 0.000 2.604 265 R HA 0.350 4.688 4.340 -0.003 0.000 0.281 265 R C -1.294 174.823 176.300 -0.305 0.000 1.020 265 R CA -0.944 55.047 56.100 -0.182 0.000 0.899 265 R CB 1.668 31.762 30.300 -0.343 0.000 1.205 265 R HN 0.531 nan 8.270 nan 0.000 0.450 266 K N 2.319 122.458 120.400 -0.436 0.000 2.253 266 K HA 0.206 4.524 4.320 -0.003 0.000 0.277 266 K C -0.286 175.921 176.600 -0.654 0.000 1.053 266 K CA -0.213 55.598 56.287 -0.793 0.000 0.892 266 K CB 0.614 32.795 32.500 -0.532 0.000 1.102 266 K HN 0.634 nan 8.250 nan 0.000 0.469 267 H N 0.644 119.390 119.070 -0.539 0.000 2.337 267 H HA 0.014 4.568 4.556 -0.003 0.000 0.311 267 H C 0.562 175.654 175.328 -0.393 0.000 1.054 267 H CA 1.153 56.998 56.048 -0.340 0.000 1.385 267 H CB 0.070 29.632 29.762 -0.332 0.000 1.437 267 H HN 0.676 nan 8.280 nan 0.000 0.553 268 T N -1.373 112.907 114.554 -0.456 0.000 2.847 268 T HA 0.448 4.796 4.350 -0.003 0.000 0.279 268 T C 0.520 174.841 174.700 -0.631 0.000 0.984 268 T CA -0.569 61.108 62.100 -0.705 0.000 0.988 268 T CB 1.407 69.501 68.868 -1.290 0.000 1.040 268 T HN 0.156 nan 8.240 nan 0.000 0.528 269 S N -0.100 115.187 115.700 -0.688 0.000 2.941 269 S HA 0.306 4.774 4.470 -0.003 0.000 0.248 269 S C -0.160 174.283 174.600 -0.262 0.000 0.962 269 S CA -0.776 57.201 58.200 -0.372 0.000 1.092 269 S CB -0.538 62.518 63.200 -0.239 0.000 1.113 269 S HN 0.637 nan 8.310 nan 0.000 0.512 270 F N 2.408 122.321 119.950 -0.062 0.000 2.657 270 F HA 0.096 4.621 4.527 -0.003 0.000 0.347 270 F C 2.050 177.619 175.800 -0.384 0.000 1.180 270 F CA 0.793 58.747 58.000 -0.076 0.000 1.383 270 F CB 0.512 39.577 39.000 0.108 0.000 1.077 270 F HN 0.293 nan 8.300 nan 0.000 0.622 271 T N -4.703 109.691 114.554 -0.267 0.000 3.123 271 T HA 0.003 4.351 4.350 -0.003 0.000 0.266 271 T C 0.872 175.245 174.700 -0.545 0.000 0.873 271 T CA 0.224 61.850 62.100 -0.789 0.000 0.854 271 T CB -0.197 68.415 68.868 -0.427 0.000 1.254 271 T HN 0.572 nan 8.240 nan 0.000 0.570 272 D N 1.243 121.533 120.400 -0.182 0.000 2.106 272 D HA 0.055 4.692 4.640 -0.003 0.000 0.203 272 D C -0.005 176.061 176.300 -0.390 0.000 0.977 272 D CA 0.997 54.845 54.000 -0.252 0.000 0.844 272 D CB -0.327 40.429 40.800 -0.073 0.000 1.002 272 D HN 0.553 nan 8.370 nan 0.000 0.461 273 Y N -1.890 118.595 120.300 0.309 0.000 2.544 273 Y HA 0.357 4.905 4.550 -0.004 0.000 0.342 273 Y C -0.811 175.291 175.900 0.337 0.000 1.062 273 Y CA -1.521 56.786 58.100 0.345 0.000 1.023 273 Y CB 1.097 39.621 38.460 0.106 0.000 1.308 273 Y HN -0.235 nan 8.280 nan 0.000 0.457 274 Y N 3.826 124.194 120.300 0.113 0.000 2.597 274 Y HA 0.134 4.682 4.550 -0.003 0.000 0.336 274 Y C -1.984 173.930 175.900 0.023 0.000 1.216 274 Y CA -2.033 56.017 58.100 -0.084 0.000 1.463 274 Y CB -0.046 38.317 38.460 -0.162 0.000 1.303 274 Y HN 0.236 nan 8.280 nan 0.000 0.576 275 P HA 0.346 nan 4.420 nan 0.000 0.281 275 P C -0.660 176.762 177.300 0.203 0.000 1.249 275 P CA -0.389 62.756 63.100 0.075 0.000 0.810 275 P CB 1.570 33.208 31.700 -0.104 0.000 1.008 276 R N 0.159 120.832 120.500 0.287 0.000 2.734 276 R HA 0.283 4.621 4.340 -0.003 0.000 0.271 276 R C -0.585 175.972 176.300 0.427 0.000 1.021 276 R CA -0.972 55.319 56.100 0.319 0.000 0.893 276 R CB 0.165 30.645 30.300 0.299 0.000 1.244 276 R HN 0.740 nan 8.270 nan 0.000 0.464 277 H N 0.406 119.643 119.070 0.278 0.000 2.765 277 H HA -0.133 4.421 4.556 -0.004 0.000 0.332 277 H C -0.878 174.637 175.328 0.311 0.000 1.180 277 H CA 0.194 56.419 56.048 0.294 0.000 1.142 277 H CB -0.922 29.007 29.762 0.279 0.000 1.576 277 H HN 0.367 nan 8.280 nan 0.000 0.420 278 L N 2.131 123.511 121.223 0.262 0.000 2.426 278 L HA 0.251 4.589 4.340 -0.003 0.000 0.271 278 L C 0.791 177.793 176.870 0.220 0.000 1.169 278 L CA 0.548 55.542 54.840 0.256 0.000 0.836 278 L CB 0.835 42.998 42.059 0.172 0.000 1.112 278 L HN 0.627 nan 8.230 nan 0.000 0.465 279 N N 0.469 119.330 118.700 0.268 0.000 2.367 279 N HA 0.436 5.173 4.740 -0.003 0.000 0.278 279 N C -1.299 174.356 175.510 0.241 0.000 1.117 279 N CA -0.449 52.754 53.050 0.255 0.000 0.867 279 N CB 2.563 41.233 38.487 0.305 0.000 1.649 279 N HN 0.493 nan 8.380 nan 0.000 0.479 280 T N -1.067 113.614 114.554 0.211 0.000 2.778 280 T HA 0.318 4.666 4.350 -0.003 0.000 0.293 280 T C -1.153 173.636 174.700 0.147 0.000 1.144 280 T CA -0.388 61.807 62.100 0.158 0.000 1.010 280 T CB 1.193 70.123 68.868 0.104 0.000 1.325 280 T HN 0.689 nan 8.240 nan 0.000 0.515 281 D N -1.280 119.165 120.400 0.075 0.000 2.520 281 D HA 0.332 4.970 4.640 -0.003 0.000 0.223 281 D C 1.255 177.548 176.300 -0.012 0.000 1.186 281 D CA 0.805 54.820 54.000 0.024 0.000 0.821 281 D CB 0.182 40.920 40.800 -0.103 0.000 1.072 281 D HN 1.030 nan 8.370 nan 0.000 0.518 282 G N 0.618 109.420 108.800 0.004 0.000 2.278 282 G HA2 -0.290 3.668 3.960 -0.003 0.000 0.210 282 G HA3 -0.290 3.668 3.960 -0.003 0.000 0.210 282 G C 1.287 176.165 174.900 -0.038 0.000 1.000 282 G CA 0.153 45.247 45.100 -0.010 0.000 0.635 282 G HN 0.364 nan 8.290 nan 0.000 0.495 283 R N -0.050 120.418 120.500 -0.053 0.000 2.049 283 R HA 0.431 4.769 4.340 -0.003 0.000 0.202 283 R C 0.872 177.129 176.300 -0.072 0.000 1.306 283 R CA 0.370 56.431 56.100 -0.066 0.000 1.107 283 R CB 0.183 30.438 30.300 -0.075 0.000 0.996 283 R HN 0.283 nan 8.270 nan 0.000 0.469 284 R N 0.497 120.967 120.500 -0.050 0.000 2.787 284 R HA 0.477 4.815 4.340 -0.003 0.000 0.271 284 R C -0.573 175.751 176.300 0.040 0.000 0.993 284 R CA -0.518 55.563 56.100 -0.031 0.000 0.993 284 R CB 1.511 31.800 30.300 -0.019 0.000 1.155 284 R HN 0.038 nan 8.270 nan 0.000 0.486 285 I N 1.848 122.484 120.570 0.109 0.000 2.437 285 I HA 0.316 4.484 4.170 -0.003 0.000 0.298 285 I C -0.747 175.562 176.117 0.321 0.000 0.984 285 I CA -0.928 60.495 61.300 0.205 0.000 1.214 285 I CB 1.390 39.523 38.000 0.221 0.000 1.365 285 I HN 0.224 nan 8.210 nan 0.000 0.469 286 L N 7.280 128.703 121.223 0.333 0.000 2.333 286 L HA 0.757 5.095 4.340 -0.003 0.000 0.269 286 L C -0.952 176.209 176.870 0.485 0.000 1.010 286 L CA -0.313 54.723 54.840 0.326 0.000 0.818 286 L CB 1.641 43.851 42.059 0.251 0.000 1.306 286 L HN 0.568 nan 8.230 nan 0.000 0.430 287 F N 0.067 120.153 119.950 0.226 0.000 2.900 287 F HA 0.754 5.279 4.527 -0.004 0.000 0.321 287 F C -1.299 174.624 175.800 0.205 0.000 1.160 287 F CA -0.602 57.535 58.000 0.229 0.000 0.890 287 F CB 0.794 39.912 39.000 0.196 0.000 1.334 287 F HN 0.514 nan 8.300 nan 0.000 0.459 288 S N 0.811 116.704 115.700 0.322 0.000 2.566 288 S HA 0.827 5.295 4.470 -0.003 0.000 0.298 288 S C -1.363 173.359 174.600 0.205 0.000 1.083 288 S CA -0.793 57.499 58.200 0.154 0.000 0.978 288 S CB 2.249 65.520 63.200 0.119 0.000 1.073 288 S HN 1.055 nan 8.310 nan 0.000 0.491 289 K N 0.160 120.607 120.400 0.078 0.000 2.561 289 K HA 0.492 4.810 4.320 -0.003 0.000 0.254 289 K C 0.522 177.078 176.600 -0.074 0.000 0.942 289 K CA 0.024 56.296 56.287 -0.026 0.000 0.818 289 K CB 0.941 33.257 32.500 -0.306 0.000 1.306 289 K HN 1.462 nan 8.250 nan 0.000 0.435 290 G N 2.224 110.895 108.800 -0.214 0.000 2.309 290 G HA2 -0.245 3.713 3.960 -0.003 0.000 0.286 290 G HA3 -0.245 3.713 3.960 -0.003 0.000 0.286 290 G C 0.793 175.455 174.900 -0.397 0.000 1.002 290 G CA 1.039 45.709 45.100 -0.716 0.000 0.786 290 G HN 1.679 nan 8.290 nan 0.000 0.511 291 G N -2.831 105.856 108.800 -0.189 0.000 2.176 291 G HA2 0.019 3.977 3.960 -0.003 0.000 0.232 291 G HA3 0.019 3.977 3.960 -0.003 0.000 0.232 291 G C 0.308 175.144 174.900 -0.107 0.000 0.986 291 G CA 0.636 45.657 45.100 -0.132 0.000 0.643 291 G HN 1.680 nan 8.290 nan 0.000 0.522 292 S N -0.018 115.655 115.700 -0.045 0.000 2.648 292 S HA 0.825 5.293 4.470 -0.003 0.000 0.305 292 S C -0.135 174.406 174.600 -0.099 0.000 1.094 292 S CA -0.790 57.346 58.200 -0.107 0.000 0.983 292 S CB 1.722 64.866 63.200 -0.093 0.000 1.101 292 S HN 0.284 nan 8.310 nan 0.000 0.514 293 I N 2.327 122.697 120.570 -0.333 0.000 2.336 293 I HA 0.416 4.584 4.170 -0.003 0.000 0.292 293 I C -0.983 174.836 176.117 -0.497 0.000 0.991 293 I CA -0.450 60.651 61.300 -0.331 0.000 1.227 293 I CB 0.315 38.058 38.000 -0.428 0.000 1.366 293 I HN 0.580 nan 8.210 nan 0.000 0.466 294 Y N 5.685 125.601 120.300 -0.640 0.000 2.621 294 Y HA 0.657 5.205 4.550 -0.004 0.000 0.334 294 Y C 0.266 175.830 175.900 -0.560 0.000 1.074 294 Y CA -0.842 56.845 58.100 -0.688 0.000 1.149 294 Y CB 1.971 39.817 38.460 -1.023 0.000 1.302 294 Y HN 0.306 nan 8.280 nan 0.000 0.501 295 I N 1.316 121.874 120.570 -0.020 0.000 2.730 295 I HA 0.340 4.508 4.170 -0.003 0.000 0.298 295 I C -1.672 174.693 176.117 0.413 0.000 1.089 295 I CA -0.883 60.516 61.300 0.165 0.000 1.041 295 I CB 2.536 40.573 38.000 0.061 0.000 1.235 295 I HN 0.437 nan 8.210 nan 0.000 0.423 296 F N 5.488 125.597 119.950 0.265 0.000 2.539 296 F HA 0.403 4.928 4.527 -0.003 0.000 0.318 296 F C -0.725 175.106 175.800 0.053 0.000 1.135 296 F CA -0.500 57.620 58.000 0.199 0.000 0.915 296 F CB 1.445 40.577 39.000 0.220 0.000 1.176 296 F HN 0.398 nan 8.300 nan 0.000 0.440 297 N N 7.565 125.891 118.700 -0.624 0.000 2.437 297 N HA 0.317 5.055 4.740 -0.003 0.000 0.259 297 N C -2.162 172.845 175.510 -0.839 0.000 0.983 297 N CA -1.956 50.787 53.050 -0.511 0.000 0.937 297 N CB 1.861 40.177 38.487 -0.285 0.000 1.122 297 N HN 0.310 nan 8.380 nan 0.000 0.499 298 P HA -0.149 nan 4.420 nan 0.000 0.216 298 P C 0.188 177.374 177.300 -0.191 0.000 1.150 298 P CA 1.117 63.994 63.100 -0.372 0.000 0.843 298 P CB 0.324 31.880 31.700 -0.240 0.000 0.787 299 D N -1.433 118.868 120.400 -0.167 0.000 2.075 299 D HA -0.092 4.546 4.640 -0.003 0.000 0.196 299 D C 1.925 178.167 176.300 -0.097 0.000 0.985 299 D CA 1.547 55.495 54.000 -0.085 0.000 0.834 299 D CB -1.276 39.482 40.800 -0.070 0.000 0.987 299 D HN 0.093 nan 8.370 nan 0.000 0.452 300 T N 0.037 114.506 114.554 -0.143 0.000 2.915 300 T HA -0.128 4.220 4.350 -0.003 0.000 0.269 300 T C 0.927 175.547 174.700 -0.133 0.000 1.071 300 T CA 1.156 63.187 62.100 -0.116 0.000 1.132 300 T CB -0.011 68.790 68.868 -0.113 0.000 0.878 300 T HN 0.364 nan 8.240 nan 0.000 0.479 301 E N 0.156 120.183 120.200 -0.287 0.000 3.070 301 E HA -0.200 4.148 4.350 -0.003 0.000 0.285 301 E C 0.025 176.544 176.600 -0.135 0.000 0.972 301 E CA 0.387 56.619 56.400 -0.279 0.000 0.915 301 E CB -0.864 28.866 29.700 0.050 0.000 1.466 301 E HN 0.469 nan 8.360 nan 0.000 0.432 302 K N 0.960 121.249 120.400 -0.186 0.000 2.172 302 K HA 0.489 4.807 4.320 -0.003 0.000 0.276 302 K C -0.292 176.360 176.600 0.086 0.000 1.013 302 K CA -0.503 55.776 56.287 -0.014 0.000 0.913 302 K CB 0.722 33.210 32.500 -0.021 0.000 1.055 302 K HN 0.134 nan 8.250 nan 0.000 0.461 303 I N 4.553 125.260 120.570 0.228 0.000 2.354 303 I HA 0.203 4.371 4.170 -0.003 0.000 0.292 303 I C -0.356 175.932 176.117 0.285 0.000 0.989 303 I CA -0.442 61.086 61.300 0.379 0.000 1.188 303 I CB 1.499 39.794 38.000 0.491 0.000 1.342 303 I HN 0.650 nan 8.210 nan 0.000 0.457 304 E N 5.994 126.343 120.200 0.248 0.000 2.314 304 E HA 0.401 4.749 4.350 -0.003 0.000 0.272 304 E C -1.303 175.283 176.600 -0.023 0.000 0.884 304 E CA -1.207 55.260 56.400 0.112 0.000 0.753 304 E CB 2.591 32.312 29.700 0.035 0.000 1.213 304 E HN 0.378 nan 8.360 nan 0.000 0.432 305 K N 3.713 123.991 120.400 -0.203 0.000 2.234 305 K HA 0.309 4.627 4.320 -0.003 0.000 0.282 305 K C -0.519 175.829 176.600 -0.421 0.000 1.039 305 K CA -0.513 55.400 56.287 -0.623 0.000 0.928 305 K CB 0.726 32.821 32.500 -0.676 0.000 1.039 305 K HN 0.541 nan 8.250 nan 0.000 0.470 306 I N 3.728 124.009 120.570 -0.482 0.000 2.519 306 I HA 0.067 4.235 4.170 -0.003 0.000 0.287 306 I C 0.374 176.263 176.117 -0.380 0.000 1.047 306 I CA -0.474 60.590 61.300 -0.392 0.000 1.381 306 I CB 1.109 38.832 38.000 -0.462 0.000 1.417 306 I HN 0.524 nan 8.210 nan 0.000 0.540 307 E N 6.635 126.671 120.200 -0.273 0.000 2.200 307 E HA 0.350 4.698 4.350 -0.003 0.000 0.283 307 E C 0.378 176.884 176.600 -0.157 0.000 1.015 307 E CA -0.051 56.237 56.400 -0.187 0.000 0.819 307 E CB 2.188 31.834 29.700 -0.091 0.000 1.081 307 E HN 0.540 nan 8.360 nan 0.000 0.397 308 I N 0.552 121.027 120.570 -0.158 0.000 4.706 308 I HA 0.139 4.307 4.170 -0.003 0.000 0.321 308 I C 1.088 177.172 176.117 -0.054 0.000 1.249 308 I CA 0.283 61.536 61.300 -0.079 0.000 1.321 308 I CB 0.396 38.259 38.000 -0.228 0.000 1.342 308 I HN 0.664 nan 8.210 nan 0.000 0.463 309 G N 2.105 110.849 108.800 -0.094 0.000 2.692 309 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.248 309 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.248 309 G C -0.714 174.139 174.900 -0.078 0.000 1.340 309 G CA -0.331 44.726 45.100 -0.071 0.000 0.896 309 G HN 0.278 nan 8.290 nan 0.000 0.570 310 D N -0.032 120.335 120.400 -0.055 0.000 2.506 310 D HA 0.374 5.012 4.640 -0.003 0.000 0.234 310 D C 1.463 177.729 176.300 -0.057 0.000 1.143 310 D CA 0.534 54.503 54.000 -0.052 0.000 0.871 310 D CB 0.860 41.645 40.800 -0.024 0.000 1.190 310 D HN 0.449 nan 8.370 nan 0.000 0.459 311 L N 0.445 121.614 121.223 -0.090 0.000 2.688 311 L HA 0.266 4.604 4.340 -0.003 0.000 0.216 311 L C 0.549 177.461 176.870 0.070 0.000 1.036 311 L CA -0.027 54.735 54.840 -0.131 0.000 0.906 311 L CB 0.523 42.214 42.059 -0.613 0.000 1.501 311 L HN 0.365 nan 8.230 nan 0.000 0.489 312 E N -0.287 119.945 120.200 0.054 0.000 2.321 312 E HA 0.317 4.665 4.350 -0.003 0.000 0.281 312 E C -1.454 175.194 176.600 0.080 0.000 0.910 312 E CA -0.139 56.347 56.400 0.145 0.000 0.770 312 E CB 2.284 32.158 29.700 0.290 0.000 1.225 312 E HN -0.144 nan 8.360 nan 0.000 0.417 313 S N 5.080 120.820 115.700 0.065 0.000 2.279 313 S HA 0.351 4.819 4.470 -0.003 0.000 0.176 313 S C -2.227 172.390 174.600 0.029 0.000 1.554 313 S CA -0.996 57.224 58.200 0.033 0.000 1.242 313 S CB 0.602 63.806 63.200 0.008 0.000 1.163 313 S HN 0.479 nan 8.310 nan 0.000 0.449 314 P HA 0.197 nan 4.420 nan 0.000 0.271 314 P C -0.292 177.009 177.300 0.002 0.000 1.244 314 P CA -0.365 62.750 63.100 0.026 0.000 0.793 314 P CB 0.448 32.170 31.700 0.036 0.000 0.984 315 E N 0.347 120.547 120.200 -0.001 0.000 2.491 315 E HA -0.096 4.252 4.350 -0.003 0.000 0.250 315 E C 0.691 177.277 176.600 -0.023 0.000 1.061 315 E CA 0.489 56.882 56.400 -0.011 0.000 0.942 315 E CB -0.373 29.322 29.700 -0.007 0.000 0.957 315 E HN 0.356 nan 8.360 nan 0.000 0.480 316 D N 3.580 123.965 120.400 -0.024 0.000 2.178 316 D HA -0.143 4.495 4.640 -0.003 0.000 0.202 316 D C 0.412 176.697 176.300 -0.025 0.000 0.974 316 D CA 0.703 54.690 54.000 -0.022 0.000 0.841 316 D CB 0.228 41.037 40.800 0.014 0.000 0.953 316 D HN 0.293 nan 8.370 nan 0.000 0.478 317 R N 0.741 121.231 120.500 -0.016 0.000 2.220 317 R HA 0.299 4.637 4.340 -0.003 0.000 0.340 317 R C -0.334 175.948 176.300 -0.030 0.000 1.076 317 R CA -0.358 55.729 56.100 -0.022 0.000 0.920 317 R CB 0.051 30.345 30.300 -0.009 0.000 1.062 317 R HN 0.262 nan 8.270 nan 0.000 0.469 318 I N 1.511 122.053 120.570 -0.047 0.000 2.607 318 I HA 0.513 4.681 4.170 -0.003 0.000 0.305 318 I C -0.586 175.513 176.117 -0.029 0.000 0.995 318 I CA -1.089 60.186 61.300 -0.042 0.000 1.148 318 I CB 1.805 39.767 38.000 -0.063 0.000 1.323 318 I HN 0.420 nan 8.210 nan 0.000 0.461 319 I N 3.724 124.287 120.570 -0.012 0.000 2.378 319 I HA 0.418 4.586 4.170 -0.003 0.000 0.291 319 I C -0.151 175.981 176.117 0.024 0.000 0.992 319 I CA -0.114 61.188 61.300 0.003 0.000 1.154 319 I CB 1.831 39.835 38.000 0.006 0.000 1.315 319 I HN 0.662 nan 8.210 nan 0.000 0.448 320 S N 5.868 121.593 115.700 0.042 0.000 2.634 320 S HA 0.621 5.089 4.470 -0.003 0.000 0.296 320 S C -0.362 174.325 174.600 0.145 0.000 1.104 320 S CA -0.645 57.626 58.200 0.119 0.000 0.920 320 S CB 2.060 65.314 63.200 0.090 0.000 1.111 320 S HN 0.352 nan 8.310 nan 0.000 0.493 321 I N 3.950 124.647 120.570 0.212 0.000 2.301 321 I HA 0.219 4.387 4.170 -0.003 0.000 0.292 321 I C -1.259 174.960 176.117 0.169 0.000 1.046 321 I CA -2.066 59.307 61.300 0.121 0.000 1.282 321 I CB 1.239 39.267 38.000 0.047 0.000 1.409 321 I HN 0.485 nan 8.210 nan 0.000 0.484 322 P HA -0.283 nan 4.420 nan 0.000 0.218 322 P C 1.547 178.907 177.300 0.100 0.000 1.154 322 P CA 1.828 65.022 63.100 0.157 0.000 0.872 322 P CB 0.114 31.849 31.700 0.059 0.000 0.790 323 S N -0.463 115.214 115.700 -0.039 0.000 2.382 323 S HA -0.121 4.347 4.470 -0.003 0.000 0.228 323 S C 1.959 176.488 174.600 -0.118 0.000 1.027 323 S CA 0.890 59.029 58.200 -0.101 0.000 0.991 323 S CB -0.879 62.238 63.200 -0.137 0.000 0.823 323 S HN 0.003 nan 8.310 nan 0.000 0.469 324 K N 0.562 120.839 120.400 -0.204 0.000 2.360 324 K HA 0.079 4.397 4.320 -0.003 0.000 0.201 324 K C 0.315 176.424 176.600 -0.819 0.000 1.046 324 K CA 0.836 56.799 56.287 -0.540 0.000 0.945 324 K CB -0.387 31.651 32.500 -0.770 0.000 0.750 324 K HN 0.676 nan 8.250 nan 0.000 0.464 325 F N -0.930 119.059 119.950 0.066 0.000 2.825 325 F HA 0.326 4.852 4.527 -0.003 0.000 0.322 325 F C 0.684 176.565 175.800 0.135 0.000 1.127 325 F CA -0.716 57.338 58.000 0.089 0.000 1.164 325 F CB 0.046 39.096 39.000 0.084 0.000 1.101 325 F HN -0.248 nan 8.300 nan 0.000 0.529 326 A N 1.570 124.539 122.820 0.248 0.000 2.366 326 A HA 0.591 4.909 4.320 -0.003 0.000 0.250 326 A C 0.243 177.994 177.584 0.279 0.000 1.099 326 A CA 0.322 52.543 52.037 0.307 0.000 0.794 326 A CB 0.208 19.303 19.000 0.158 0.000 1.056 326 A HN 0.551 nan 8.150 nan 0.000 0.499 327 E N -1.597 118.814 120.200 0.352 0.000 2.377 327 E HA 0.346 4.693 4.350 -0.003 0.000 0.277 327 E C -0.896 175.871 176.600 0.277 0.000 1.190 327 E CA -0.283 56.290 56.400 0.289 0.000 0.917 327 E CB -0.037 29.778 29.700 0.191 0.000 1.296 327 E HN 0.481 nan 8.360 nan 0.000 0.417 328 D N -0.227 120.253 120.400 0.133 0.000 2.772 328 D HA -0.188 4.450 4.640 -0.003 0.000 0.233 328 D C -0.741 175.585 176.300 0.043 0.000 1.143 328 D CA 1.181 55.203 54.000 0.037 0.000 0.700 328 D CB -1.470 39.418 40.800 0.147 0.000 1.076 328 D HN 0.476 nan 8.370 nan 0.000 0.430 329 F N -0.596 119.477 119.950 0.205 0.000 2.578 329 F HA 0.488 5.013 4.527 -0.004 0.000 0.381 329 F C 0.632 176.527 175.800 0.160 0.000 1.069 329 F CA -0.587 57.536 58.000 0.205 0.000 1.231 329 F CB 0.835 39.910 39.000 0.125 0.000 1.086 329 F HN -0.030 nan 8.300 nan 0.000 0.564 330 S N 4.815 120.665 115.700 0.250 0.000 2.548 330 S HA 0.604 5.072 4.470 -0.003 0.000 0.276 330 S C -3.073 171.640 174.600 0.188 0.000 1.129 330 S CA -1.522 56.773 58.200 0.158 0.000 0.931 330 S CB 1.907 65.168 63.200 0.101 0.000 1.068 330 S HN 0.610 nan 8.310 nan 0.000 0.480 331 P HA 0.397 nan 4.420 nan 0.000 0.285 331 P C -0.791 176.576 177.300 0.112 0.000 1.259 331 P CA -0.486 62.689 63.100 0.125 0.000 0.794 331 P CB 0.935 32.692 31.700 0.094 0.000 0.940 332 L N 1.420 122.711 121.223 0.114 0.000 2.464 332 L HA 0.525 4.863 4.340 -0.003 0.000 0.264 332 L C 0.695 177.629 176.870 0.107 0.000 1.062 332 L CA -1.088 53.828 54.840 0.127 0.000 0.935 332 L CB 0.283 42.441 42.059 0.164 0.000 1.603 332 L HN 0.196 nan 8.230 nan 0.000 0.528 333 D N -0.229 120.248 120.400 0.128 0.000 2.411 333 D HA 0.299 4.937 4.640 -0.003 0.000 0.251 333 D C 0.814 177.171 176.300 0.095 0.000 1.201 333 D CA 0.751 54.812 54.000 0.101 0.000 0.996 333 D CB 0.569 41.429 40.800 0.101 0.000 1.101 333 D HN 0.778 nan 8.370 nan 0.000 0.504 334 G N 0.726 109.569 108.800 0.071 0.000 2.269 334 G HA2 -0.355 3.603 3.960 -0.003 0.000 0.277 334 G HA3 -0.355 3.603 3.960 -0.003 0.000 0.277 334 G C 0.375 175.301 174.900 0.043 0.000 1.008 334 G CA 0.965 46.098 45.100 0.055 0.000 0.774 334 G HN 0.793 nan 8.290 nan 0.000 0.511 335 D N -2.028 118.401 120.400 0.048 0.000 2.723 335 D HA -0.173 4.465 4.640 -0.003 0.000 0.236 335 D C 0.610 176.937 176.300 0.046 0.000 1.138 335 D CA 1.435 55.462 54.000 0.046 0.000 0.676 335 D CB -1.259 39.565 40.800 0.039 0.000 1.069 335 D HN 0.745 nan 8.370 nan 0.000 0.430 336 L N -0.264 120.988 121.223 0.048 0.000 2.365 336 L HA 0.649 4.987 4.340 -0.003 0.000 0.267 336 L C 0.980 177.891 176.870 0.069 0.000 1.033 336 L CA -1.055 53.804 54.840 0.032 0.000 0.802 336 L CB 1.285 43.323 42.059 -0.035 0.000 1.267 336 L HN -0.017 nan 8.230 nan 0.000 0.457 337 I N 0.254 120.877 120.570 0.087 0.000 2.785 337 I HA 0.634 4.802 4.170 -0.003 0.000 0.302 337 I C -0.659 175.581 176.117 0.204 0.000 1.069 337 I CA -0.628 60.767 61.300 0.158 0.000 1.045 337 I CB 2.251 40.354 38.000 0.172 0.000 1.236 337 I HN 0.585 nan 8.210 nan 0.000 0.429 338 A N 5.087 128.063 122.820 0.260 0.000 2.414 338 A HA 0.924 5.242 4.320 -0.003 0.000 0.306 338 A C -1.237 176.583 177.584 0.392 0.000 1.054 338 A CA -0.369 51.826 52.037 0.263 0.000 0.724 338 A CB 1.371 20.490 19.000 0.199 0.000 1.267 338 A HN 0.652 nan 8.150 nan 0.000 0.418 339 F N 0.222 120.301 119.950 0.215 0.000 2.693 339 F HA 0.749 5.274 4.527 -0.003 0.000 0.309 339 F C -1.638 174.311 175.800 0.249 0.000 1.129 339 F CA -1.081 57.058 58.000 0.232 0.000 0.948 339 F CB 0.951 40.100 39.000 0.248 0.000 1.315 339 F HN 0.409 nan 8.300 nan 0.000 0.447 340 V N 1.799 121.841 119.914 0.214 0.000 2.667 340 V HA 0.821 4.939 4.120 -0.003 0.000 0.308 340 V C -0.623 175.648 176.094 0.296 0.000 1.048 340 V CA -0.511 61.835 62.300 0.078 0.000 0.928 340 V CB 1.578 33.428 31.823 0.045 0.000 1.004 340 V HN 0.967 nan 8.190 nan 0.000 0.444 341 S N 2.657 118.505 115.700 0.246 0.000 2.543 341 S HA 0.509 4.977 4.470 -0.003 0.000 0.273 341 S C -0.013 174.715 174.600 0.213 0.000 1.152 341 S CA -0.720 57.688 58.200 0.346 0.000 0.910 341 S CB 1.091 64.617 63.200 0.543 0.000 1.105 341 S HN 0.789 nan 8.310 nan 0.000 0.465 342 R N 2.340 122.937 120.500 0.161 0.000 3.484 342 R HA -0.246 4.092 4.340 -0.003 0.000 0.260 342 R C 1.046 177.321 176.300 -0.042 0.000 1.053 342 R CA 1.403 57.487 56.100 -0.026 0.000 0.703 342 R CB -1.779 28.424 30.300 -0.161 0.000 1.089 342 R HN 1.788 nan 8.270 nan 0.000 0.459 343 G N -1.460 107.321 108.800 -0.032 0.000 2.179 343 G HA2 -0.354 3.604 3.960 -0.003 0.000 0.260 343 G HA3 -0.354 3.604 3.960 -0.003 0.000 0.260 343 G C -0.012 174.806 174.900 -0.137 0.000 0.977 343 G CA 0.715 45.759 45.100 -0.093 0.000 0.641 343 G HN 0.531 nan 8.290 nan 0.000 0.533 344 Q N -0.152 119.575 119.800 -0.123 0.000 2.248 344 Q HA 0.769 5.107 4.340 -0.003 0.000 0.263 344 Q C 0.050 175.744 176.000 -0.510 0.000 1.007 344 Q CA -0.125 55.489 55.803 -0.315 0.000 0.877 344 Q CB 2.035 30.624 28.738 -0.247 0.000 1.315 344 Q HN 0.762 nan 8.270 nan 0.000 0.454 345 A N 1.244 123.533 122.820 -0.885 0.000 2.380 345 A HA 0.875 5.193 4.320 -0.003 0.000 0.315 345 A C -1.449 175.328 177.584 -1.345 0.000 1.101 345 A CA -0.459 51.076 52.037 -0.837 0.000 0.771 345 A CB 0.844 19.558 19.000 -0.478 0.000 1.287 345 A HN 0.567 nan 8.150 nan 0.000 0.436 346 F N -0.129 119.526 119.950 -0.491 0.000 2.601 346 F HA 0.611 5.136 4.527 -0.003 0.000 0.309 346 F C -0.701 175.019 175.800 -0.135 0.000 1.089 346 F CA -0.559 57.238 58.000 -0.339 0.000 0.940 346 F CB 1.988 40.721 39.000 -0.446 0.000 1.273 346 F HN 0.238 nan 8.300 nan 0.000 0.450 347 I N 2.482 123.137 120.570 0.143 0.000 2.382 347 I HA 0.409 4.577 4.170 -0.003 0.000 0.285 347 I C -0.507 175.660 176.117 0.083 0.000 1.007 347 I CA -0.339 60.988 61.300 0.045 0.000 1.142 347 I CB 1.364 39.265 38.000 -0.164 0.000 1.289 347 I HN 0.682 nan 8.210 nan 0.000 0.453 348 Q N 5.010 124.889 119.800 0.132 0.000 2.605 348 Q HA 0.615 4.952 4.340 -0.003 0.000 0.296 348 Q C -1.691 174.374 176.000 0.109 0.000 1.056 348 Q CA -1.092 54.799 55.803 0.146 0.000 0.778 348 Q CB 2.202 31.069 28.738 0.215 0.000 1.497 348 Q HN 0.487 nan 8.270 nan 0.000 0.443 349 D N 0.318 120.793 120.400 0.126 0.000 2.277 349 D HA 0.115 4.753 4.640 -0.003 0.000 0.250 349 D C 1.424 177.773 176.300 0.082 0.000 1.032 349 D CA -0.193 53.870 54.000 0.105 0.000 0.947 349 D CB 1.754 42.645 40.800 0.152 0.000 1.159 349 D HN 0.600 nan 8.370 nan 0.000 0.460 350 V N -0.254 119.696 119.914 0.061 0.000 2.313 350 V HA -0.319 3.799 4.120 -0.003 0.000 0.253 350 V C 2.369 178.465 176.094 0.004 0.000 1.070 350 V CA 2.499 64.816 62.300 0.027 0.000 1.057 350 V CB -1.432 30.409 31.823 0.030 0.000 0.653 350 V HN 0.675 nan 8.190 nan 0.000 0.450 351 S N 0.843 116.561 115.700 0.030 0.000 2.383 351 S HA 0.060 4.528 4.470 -0.003 0.000 0.229 351 S C 1.831 176.418 174.600 -0.021 0.000 1.030 351 S CA 2.288 60.494 58.200 0.009 0.000 1.002 351 S CB -0.876 62.350 63.200 0.044 0.000 0.829 351 S HN 2.159 nan 8.310 nan 0.000 0.467 352 G N -0.382 108.420 108.800 0.003 0.000 2.132 352 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.234 352 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.234 352 G C 0.797 175.667 174.900 -0.050 0.000 0.989 352 G CA 1.303 46.391 45.100 -0.020 0.000 0.676 352 G HN 0.755 nan 8.290 nan 0.000 0.522 353 T N -1.380 113.129 114.554 -0.075 0.000 2.939 353 T HA 0.209 4.557 4.350 -0.003 0.000 0.254 353 T C 0.869 175.343 174.700 -0.375 0.000 1.041 353 T CA 1.197 63.142 62.100 -0.257 0.000 1.142 353 T CB 0.028 68.673 68.868 -0.372 0.000 0.874 353 T HN 0.388 nan 8.240 nan 0.000 0.452 354 Y N 2.073 122.384 120.300 0.018 0.000 2.504 354 Y HA 0.590 5.138 4.550 -0.004 0.000 0.339 354 Y C -0.519 175.405 175.900 0.041 0.000 0.974 354 Y CA -1.046 57.070 58.100 0.027 0.000 1.232 354 Y CB 1.049 39.522 38.460 0.021 0.000 1.108 354 Y HN -0.091 nan 8.280 nan 0.000 0.509 355 V N 5.247 125.246 119.914 0.142 0.000 2.555 355 V HA 0.516 4.634 4.120 -0.003 0.000 0.302 355 V C -0.322 175.881 176.094 0.181 0.000 1.038 355 V CA -1.064 61.330 62.300 0.157 0.000 0.887 355 V CB 2.127 34.017 31.823 0.111 0.000 0.991 355 V HN 0.555 nan 8.190 nan 0.000 0.434 356 L N 3.793 125.140 121.223 0.207 0.000 2.385 356 L HA 0.598 4.936 4.340 -0.003 0.000 0.273 356 L C -0.229 176.745 176.870 0.174 0.000 0.990 356 L CA -0.573 54.378 54.840 0.185 0.000 0.821 356 L CB 2.158 44.321 42.059 0.174 0.000 1.279 356 L HN 0.611 nan 8.230 nan 0.000 0.412 357 K N 2.045 122.487 120.400 0.072 0.000 2.143 357 K HA 0.496 4.814 4.320 -0.003 0.000 0.272 357 K C -0.800 175.568 176.600 -0.387 0.000 1.001 357 K CA -0.619 55.516 56.287 -0.253 0.000 0.915 357 K CB 1.673 34.051 32.500 -0.204 0.000 1.047 357 K HN 0.337 nan 8.250 nan 0.000 0.458 358 V N 6.211 125.757 119.914 -0.613 0.000 2.521 358 V HA 0.120 4.237 4.120 -0.003 0.000 0.286 358 V C -1.805 173.887 176.094 -0.671 0.000 1.034 358 V CA -1.261 60.556 62.300 -0.804 0.000 1.045 358 V CB 0.840 32.181 31.823 -0.803 0.000 0.974 358 V HN 0.812 nan 8.190 nan 0.000 0.480 359 P HA 0.282 nan 4.420 nan 0.000 0.244 359 P C -0.448 176.639 177.300 -0.354 0.000 1.769 359 P CA 0.073 62.943 63.100 -0.383 0.000 1.102 359 P CB 0.376 31.917 31.700 -0.266 0.000 1.937 360 E N 2.875 122.863 120.200 -0.353 0.000 2.343 360 E HA 0.345 4.693 4.350 -0.003 0.000 0.278 360 E C -2.229 174.278 176.600 -0.155 0.000 0.910 360 E CA -1.798 54.434 56.400 -0.281 0.000 0.757 360 E CB 2.279 31.731 29.700 -0.413 0.000 1.218 360 E HN 0.270 nan 8.360 nan 0.000 0.435 361 P HA 0.071 nan 4.420 nan 0.000 0.273 361 P C 0.423 177.786 177.300 0.104 0.000 1.258 361 P CA -0.429 62.691 63.100 0.034 0.000 0.802 361 P CB 0.875 32.614 31.700 0.065 0.000 1.040 362 L N 0.239 121.479 121.223 0.029 0.000 2.499 362 L HA -0.028 4.310 4.340 -0.003 0.000 0.281 362 L C 0.927 177.697 176.870 -0.166 0.000 1.234 362 L CA 0.344 55.150 54.840 -0.056 0.000 0.839 362 L CB -0.148 41.874 42.059 -0.062 0.000 1.104 362 L HN 0.487 nan 8.230 nan 0.000 0.500 363 R N 3.156 123.532 120.500 -0.207 0.000 2.779 363 R HA -0.096 4.241 4.340 -0.003 0.000 0.301 363 R C -1.296 174.788 176.300 -0.360 0.000 0.963 363 R CA 0.441 56.373 56.100 -0.280 0.000 0.683 363 R CB -1.647 28.492 30.300 -0.267 0.000 1.794 363 R HN 0.497 nan 8.270 nan 0.000 0.458 364 I N 3.555 123.987 120.570 -0.229 0.000 2.307 364 I HA 0.191 4.359 4.170 -0.003 0.000 0.289 364 I C 1.802 177.810 176.117 -0.182 0.000 1.021 364 I CA -0.413 60.795 61.300 -0.153 0.000 1.224 364 I CB 1.114 39.007 38.000 -0.179 0.000 1.376 364 I HN 0.271 nan 8.210 nan 0.000 0.470 365 R N 4.620 124.992 120.500 -0.212 0.000 2.080 365 R HA 0.095 4.433 4.340 -0.003 0.000 0.222 365 R C -0.458 175.442 176.300 -0.667 0.000 1.107 365 R CA 1.074 56.865 56.100 -0.514 0.000 0.980 365 R CB 0.190 30.109 30.300 -0.635 0.000 0.879 365 R HN 0.450 nan 8.270 nan 0.000 0.439 366 Y N -0.977 119.357 120.300 0.056 0.000 2.524 366 Y HA 0.447 4.995 4.550 -0.004 0.000 0.347 366 Y C -0.709 175.273 175.900 0.137 0.000 1.005 366 Y CA -1.254 56.891 58.100 0.075 0.000 1.025 366 Y CB 2.302 40.802 38.460 0.067 0.000 1.275 366 Y HN -0.362 nan 8.280 nan 0.000 0.460 367 V N 2.755 122.844 119.914 0.292 0.000 2.588 367 V HA 0.707 4.825 4.120 -0.003 0.000 0.304 367 V C -0.818 175.404 176.094 0.213 0.000 1.042 367 V CA -0.800 61.651 62.300 0.251 0.000 0.877 367 V CB 1.844 33.771 31.823 0.173 0.000 0.996 367 V HN 0.647 nan 8.190 nan 0.000 0.425 368 R N 2.404 123.030 120.500 0.210 0.000 2.564 368 R HA 0.541 4.879 4.340 -0.003 0.000 0.284 368 R C -0.619 175.771 176.300 0.150 0.000 1.031 368 R CA -0.928 55.264 56.100 0.154 0.000 0.904 368 R CB 1.340 31.712 30.300 0.120 0.000 1.199 368 R HN 0.821 nan 8.270 nan 0.000 0.443 369 R N 1.531 122.111 120.500 0.132 0.000 2.504 369 R HA 0.187 4.525 4.340 -0.003 0.000 0.291 369 R C 0.156 176.505 176.300 0.081 0.000 0.974 369 R CA 1.339 57.513 56.100 0.124 0.000 1.077 369 R CB 0.096 30.462 30.300 0.110 0.000 0.926 369 R HN 0.731 nan 8.270 nan 0.000 0.407 370 G N 1.873 110.713 108.800 0.068 0.000 3.979 370 G HA2 0.499 4.457 3.960 -0.003 0.000 0.287 370 G HA3 0.499 4.457 3.960 -0.003 0.000 0.287 370 G C -0.076 174.822 174.900 -0.004 0.000 1.011 370 G CA 0.078 45.193 45.100 0.026 0.000 0.818 370 G HN 1.002 nan 8.290 nan 0.000 0.470 371 G N -0.242 108.556 108.800 -0.004 0.000 2.337 371 G HA2 0.248 4.206 3.960 -0.003 0.000 0.298 371 G HA3 0.248 4.206 3.960 -0.003 0.000 0.298 371 G C -0.222 174.658 174.900 -0.033 0.000 1.335 371 G CA -0.100 44.982 45.100 -0.030 0.000 0.875 371 G HN -0.137 nan 8.290 nan 0.000 0.579 372 D N -0.231 120.144 120.400 -0.042 0.000 2.126 372 D HA -0.104 4.534 4.640 -0.003 0.000 0.190 372 D C 2.398 178.658 176.300 -0.066 0.000 1.001 372 D CA 2.728 56.713 54.000 -0.025 0.000 0.841 372 D CB -0.050 40.731 40.800 -0.030 0.000 0.949 372 D HN 0.764 nan 8.370 nan 0.000 0.446 373 T N -3.515 110.885 114.554 -0.256 0.000 3.170 373 T HA 0.272 4.620 4.350 -0.003 0.000 0.288 373 T C 0.369 174.441 174.700 -1.046 0.000 0.992 373 T CA -0.575 61.088 62.100 -0.728 0.000 0.909 373 T CB 0.650 69.209 68.868 -0.516 0.000 1.133 373 T HN -0.132 nan 8.240 nan 0.000 0.530 374 K N 1.129 121.239 120.400 -0.482 0.000 2.221 374 K HA 0.722 5.040 4.320 -0.003 0.000 0.258 374 K C -1.508 175.043 176.600 -0.082 0.000 0.944 374 K CA -0.863 55.237 56.287 -0.311 0.000 0.823 374 K CB 2.932 35.327 32.500 -0.174 0.000 1.113 374 K HN 0.090 nan 8.250 nan 0.000 0.431 375 V N 1.668 121.614 119.914 0.054 0.000 2.656 375 V HA 0.693 4.811 4.120 -0.003 0.000 0.307 375 V C -1.196 175.050 176.094 0.255 0.000 1.051 375 V CA -0.540 61.888 62.300 0.212 0.000 0.893 375 V CB 1.685 33.723 31.823 0.358 0.000 0.999 375 V HN 0.920 nan 8.190 nan 0.000 0.426 376 A N 6.348 129.287 122.820 0.198 0.000 2.306 376 A HA 0.932 5.250 4.320 -0.003 0.000 0.314 376 A C -0.770 176.961 177.584 0.245 0.000 1.164 376 A CA -0.418 51.699 52.037 0.133 0.000 0.822 376 A CB 0.651 19.695 19.000 0.072 0.000 1.130 376 A HN 1.345 nan 8.150 nan 0.000 0.496 377 F N 0.391 120.442 119.950 0.168 0.000 2.640 377 F HA 0.814 5.339 4.527 -0.004 0.000 0.324 377 F C -0.930 174.990 175.800 0.200 0.000 1.077 377 F CA -1.644 56.457 58.000 0.168 0.000 0.965 377 F CB 1.203 40.279 39.000 0.127 0.000 1.351 377 F HN 0.234 nan 8.300 nan 0.000 0.487 378 I N 2.443 123.295 120.570 0.469 0.000 2.382 378 I HA 0.218 4.386 4.170 -0.003 0.000 0.286 378 I C -0.797 175.556 176.117 0.394 0.000 1.002 378 I CA -0.284 61.238 61.300 0.370 0.000 1.135 378 I CB 0.928 39.147 38.000 0.365 0.000 1.288 378 I HN 0.770 nan 8.210 nan 0.000 0.448 379 H N 5.380 124.667 119.070 0.363 0.000 2.488 379 H HA 0.596 5.150 4.556 -0.003 0.000 0.322 379 H C -0.491 174.998 175.328 0.268 0.000 1.078 379 H CA -0.295 55.934 56.048 0.301 0.000 1.260 379 H CB 1.916 31.903 29.762 0.374 0.000 1.425 379 H HN 0.744 nan 8.280 nan 0.000 0.471 380 G N 2.781 111.459 108.800 -0.204 0.000 2.416 380 G HA2 0.472 4.430 3.960 -0.003 0.000 0.329 380 G HA3 0.472 4.430 3.960 -0.003 0.000 0.329 380 G C -0.448 174.427 174.900 -0.041 0.000 1.173 380 G CA -0.337 44.736 45.100 -0.045 0.000 0.929 380 G HN 0.716 nan 8.290 nan 0.000 0.475 381 T N -1.396 113.275 114.554 0.195 0.000 2.804 381 T HA 0.387 4.735 4.350 -0.003 0.000 0.290 381 T C 1.196 176.009 174.700 0.188 0.000 1.099 381 T CA -0.749 61.481 62.100 0.216 0.000 1.011 381 T CB 1.870 70.948 68.868 0.350 0.000 1.291 381 T HN 0.417 nan 8.240 nan 0.000 0.523 382 R N 0.122 120.726 120.500 0.174 0.000 2.159 382 R HA -0.085 4.253 4.340 -0.003 0.000 0.237 382 R C 1.759 178.167 176.300 0.181 0.000 1.131 382 R CA 1.613 57.817 56.100 0.172 0.000 0.982 382 R CB -0.150 30.239 30.300 0.149 0.000 0.868 382 R HN 0.638 nan 8.270 nan 0.000 0.453 383 E N -0.670 119.661 120.200 0.218 0.000 2.112 383 E HA 0.091 4.439 4.350 -0.003 0.000 0.190 383 E C 0.996 177.686 176.600 0.149 0.000 0.979 383 E CA 1.156 57.693 56.400 0.227 0.000 0.814 383 E CB 0.278 30.185 29.700 0.346 0.000 0.762 383 E HN 0.514 nan 8.360 nan 0.000 0.460 384 G N 0.230 109.101 108.800 0.118 0.000 2.368 384 G HA2 0.052 4.009 3.960 -0.003 0.000 0.269 384 G HA3 0.052 4.009 3.960 -0.003 0.000 0.269 384 G C -1.822 172.865 174.900 -0.354 0.000 1.291 384 G CA -0.739 44.263 45.100 -0.163 0.000 0.903 384 G HN -0.073 nan 8.290 nan 0.000 0.483 385 D N 0.161 120.239 120.400 -0.537 0.000 2.192 385 D HA 0.738 5.376 4.640 -0.003 0.000 0.246 385 D C -0.919 174.974 176.300 -0.677 0.000 1.042 385 D CA 0.249 54.023 54.000 -0.376 0.000 0.847 385 D CB 1.515 42.240 40.800 -0.124 0.000 1.186 385 D HN 0.200 nan 8.370 nan 0.000 0.461 386 F N 0.649 120.692 119.950 0.155 0.000 2.576 386 F HA 0.297 4.822 4.527 -0.003 0.000 0.313 386 F C 0.015 175.911 175.800 0.160 0.000 1.078 386 F CA -1.157 56.935 58.000 0.153 0.000 0.921 386 F CB 1.538 40.639 39.000 0.170 0.000 1.232 386 F HN -0.002 nan 8.300 nan 0.000 0.459 387 L N 2.196 123.600 121.223 0.302 0.000 2.371 387 L HA 0.785 5.123 4.340 -0.003 0.000 0.272 387 L C -0.062 176.908 176.870 0.166 0.000 1.124 387 L CA 0.440 55.398 54.840 0.197 0.000 0.816 387 L CB 0.746 42.884 42.059 0.131 0.000 1.129 387 L HN 0.826 nan 8.230 nan 0.000 0.448 388 G N 4.877 113.470 108.800 -0.344 0.000 2.694 388 G HA2 0.703 4.661 3.960 -0.003 0.000 0.290 388 G HA3 0.703 4.661 3.960 -0.003 0.000 0.290 388 G C -1.577 172.640 174.900 -1.137 0.000 1.386 388 G CA -0.531 43.929 45.100 -1.067 0.000 0.872 388 G HN 0.544 nan 8.290 nan 0.000 0.475 389 I N -0.000 120.092 120.570 -0.796 0.000 2.656 389 I HA 0.404 4.572 4.170 -0.003 0.000 0.292 389 I C -1.781 174.492 176.117 0.260 0.000 1.144 389 I CA -0.813 60.382 61.300 -0.176 0.000 1.038 389 I CB 2.752 40.697 38.000 -0.091 0.000 1.244 389 I HN 0.557 nan 8.210 nan 0.000 0.420 390 Y N 4.985 125.434 120.300 0.247 0.000 2.492 390 Y HA 0.498 5.045 4.550 -0.004 0.000 0.346 390 Y C -1.535 174.406 175.900 0.070 0.000 0.997 390 Y CA -1.133 57.099 58.100 0.220 0.000 1.025 390 Y CB 1.830 40.469 38.460 0.299 0.000 1.263 390 Y HN 0.494 nan 8.280 nan 0.000 0.454 391 D N 4.696 124.668 120.400 -0.714 0.000 2.464 391 D HA 0.102 4.740 4.640 -0.003 0.000 0.243 391 D C 0.041 175.691 176.300 -1.083 0.000 1.104 391 D CA -0.502 53.039 54.000 -0.764 0.000 0.883 391 D CB 0.119 40.683 40.800 -0.392 0.000 1.050 391 D HN 0.581 nan 8.370 nan 0.000 0.524 392 Y N 2.572 122.319 120.300 -0.921 0.000 2.716 392 Y HA 0.076 4.624 4.550 -0.003 0.000 0.302 392 Y C 1.864 177.646 175.900 -0.196 0.000 1.160 392 Y CA 0.248 58.032 58.100 -0.527 0.000 1.362 392 Y CB -0.442 37.955 38.460 -0.105 0.000 0.988 392 Y HN 0.262 nan 8.280 nan 0.000 0.546 393 R N 0.971 121.364 120.500 -0.178 0.000 2.056 393 R HA -0.006 4.332 4.340 -0.003 0.000 0.215 393 R C 2.323 178.592 176.300 -0.051 0.000 1.205 393 R CA 1.550 57.622 56.100 -0.046 0.000 1.020 393 R CB -0.568 29.669 30.300 -0.105 0.000 0.911 393 R HN 0.426 nan 8.270 nan 0.000 0.451 394 T N -3.244 111.245 114.554 -0.107 0.000 2.684 394 T HA 0.217 4.565 4.350 -0.003 0.000 0.253 394 T C 1.562 176.248 174.700 -0.025 0.000 1.057 394 T CA 1.187 63.251 62.100 -0.059 0.000 1.162 394 T CB -0.143 68.682 68.868 -0.072 0.000 0.868 394 T HN 0.453 nan 8.240 nan 0.000 0.409 395 G N 1.461 110.233 108.800 -0.046 0.000 3.033 395 G HA2 -0.078 3.880 3.960 -0.003 0.000 0.208 395 G HA3 -0.078 3.880 3.960 -0.003 0.000 0.208 395 G C -0.000 174.970 174.900 0.117 0.000 1.006 395 G CA -0.114 45.034 45.100 0.080 0.000 0.808 395 G HN 0.927 nan 8.290 nan 0.000 0.499 396 K N 0.474 120.890 120.400 0.026 0.000 2.440 396 K HA 0.452 4.770 4.320 -0.003 0.000 0.275 396 K C 0.184 176.848 176.600 0.107 0.000 1.082 396 K CA 0.814 57.121 56.287 0.033 0.000 1.135 396 K CB 0.916 33.404 32.500 -0.020 0.000 0.864 396 K HN 0.899 nan 8.250 nan 0.000 0.479 397 A N 3.996 126.893 122.820 0.128 0.000 3.297 397 A HA 0.095 4.413 4.320 -0.003 0.000 0.304 397 A C -0.521 177.093 177.584 0.050 0.000 0.963 397 A CA -0.682 51.472 52.037 0.194 0.000 0.935 397 A CB 0.145 19.295 19.000 0.250 0.000 1.093 397 A HN 0.875 nan 8.150 nan 0.000 0.480 398 E N 1.636 121.797 120.200 -0.064 0.000 2.220 398 E HA 0.139 4.487 4.350 -0.003 0.000 0.272 398 E C -0.188 176.206 176.600 -0.344 0.000 1.099 398 E CA 0.027 56.310 56.400 -0.196 0.000 0.907 398 E CB 0.355 29.905 29.700 -0.251 0.000 1.022 398 E HN 0.444 nan 8.360 nan 0.000 0.428 399 K N 4.402 124.648 120.400 -0.256 0.000 2.183 399 K HA 0.226 4.544 4.320 -0.003 0.000 0.274 399 K C -0.689 175.729 176.600 -0.303 0.000 1.009 399 K CA -0.548 55.582 56.287 -0.263 0.000 0.888 399 K CB 0.660 33.110 32.500 -0.085 0.000 1.078 399 K HN 0.342 nan 8.250 nan 0.000 0.459 400 F N 1.637 121.554 119.950 -0.055 0.000 2.390 400 F HA 0.040 4.565 4.527 -0.004 0.000 0.307 400 F C 1.863 177.643 175.800 -0.033 0.000 1.227 400 F CA 0.123 58.111 58.000 -0.020 0.000 1.179 400 F CB 0.655 39.666 39.000 0.018 0.000 1.280 400 F HN 0.639 nan 8.300 nan 0.000 0.548 401 E N -0.885 119.460 120.200 0.242 0.000 2.536 401 E HA 0.047 4.395 4.350 -0.003 0.000 0.220 401 E C -0.232 176.544 176.600 0.293 0.000 0.876 401 E CA 0.100 56.544 56.400 0.073 0.000 1.190 401 E CB -0.192 29.506 29.700 -0.004 0.000 1.191 401 E HN 0.449 nan 8.360 nan 0.000 0.557 402 E N 2.576 122.946 120.200 0.284 0.000 2.406 402 E HA 0.054 4.402 4.350 -0.003 0.000 0.258 402 E C -0.371 176.411 176.600 0.303 0.000 1.043 402 E CA 0.085 56.615 56.400 0.217 0.000 0.929 402 E CB 0.211 29.949 29.700 0.063 0.000 0.969 402 E HN 0.243 nan 8.360 nan 0.000 0.462 403 N N 3.329 122.181 118.700 0.253 0.000 2.492 403 N HA -0.002 4.736 4.740 -0.003 0.000 0.260 403 N C 0.617 176.050 175.510 -0.127 0.000 1.215 403 N CA -0.162 52.855 53.050 -0.054 0.000 0.923 403 N CB 0.522 38.999 38.487 -0.016 0.000 1.092 403 N HN 0.377 nan 8.380 nan 0.000 0.448 404 L N 2.494 123.568 121.223 -0.248 0.000 2.858 404 L HA 0.359 4.697 4.340 -0.003 0.000 0.251 404 L C 1.225 178.025 176.870 -0.115 0.000 1.149 404 L CA -0.041 54.719 54.840 -0.133 0.000 0.955 404 L CB -0.388 41.617 42.059 -0.090 0.000 1.289 404 L HN 0.927 nan 8.230 nan 0.000 0.542 405 G N 1.294 109.994 108.800 -0.167 0.000 2.498 405 G HA2 -0.257 3.700 3.960 -0.003 0.000 0.245 405 G HA3 -0.257 3.700 3.960 -0.003 0.000 0.245 405 G C -0.334 174.526 174.900 -0.068 0.000 1.204 405 G CA -0.482 44.558 45.100 -0.100 0.000 0.933 405 G HN 0.248 nan 8.290 nan 0.000 0.574 406 N N 0.943 119.664 118.700 0.034 0.000 2.589 406 N HA 0.442 5.180 4.740 -0.003 0.000 0.232 406 N C 0.139 175.807 175.510 0.264 0.000 1.015 406 N CA -0.145 52.986 53.050 0.134 0.000 0.931 406 N CB 1.522 40.161 38.487 0.254 0.000 1.150 406 N HN 0.574 nan 8.380 nan 0.000 0.512 407 V N 2.447 122.450 119.914 0.148 0.000 2.614 407 V HA 0.155 4.273 4.120 -0.003 0.000 0.291 407 V C 0.615 176.862 176.094 0.255 0.000 1.049 407 V CA 0.289 62.724 62.300 0.224 0.000 1.038 407 V CB 0.192 32.122 31.823 0.178 0.000 0.980 407 V HN 0.524 nan 8.190 nan 0.000 0.481 408 F N 1.880 121.947 119.950 0.195 0.000 2.798 408 F HA 0.642 5.166 4.527 -0.004 0.000 0.328 408 F C 0.726 176.495 175.800 -0.050 0.000 1.098 408 F CA 0.353 58.479 58.000 0.209 0.000 1.172 408 F CB 0.622 39.715 39.000 0.155 0.000 1.072 408 F HN 0.556 nan 8.300 nan 0.000 0.555 409 A N 1.165 123.988 122.820 0.006 0.000 2.517 409 A HA 0.757 5.075 4.320 -0.003 0.000 0.297 409 A C -1.353 176.234 177.584 0.003 0.000 1.050 409 A CA -0.452 51.505 52.037 -0.132 0.000 0.694 409 A CB 1.912 20.948 19.000 0.059 0.000 1.277 409 A HN -0.000 nan 8.150 nan 0.000 0.400 410 M N 1.909 121.458 119.600 -0.084 0.000 2.421 410 M HA 0.674 5.152 4.480 -0.003 0.000 0.287 410 M C -0.750 175.634 176.300 0.141 0.000 1.183 410 M CA 0.009 55.361 55.300 0.088 0.000 0.916 410 M CB 1.981 34.581 32.600 -0.000 0.000 1.701 410 M HN 1.460 nan 8.290 nan 0.000 0.470 411 G N 2.280 111.224 108.800 0.240 0.000 2.692 411 G HA2 0.706 4.664 3.960 -0.003 0.000 0.291 411 G HA3 0.706 4.664 3.960 -0.003 0.000 0.291 411 G C -2.219 172.740 174.900 0.098 0.000 1.423 411 G CA -0.464 44.757 45.100 0.201 0.000 0.843 411 G HN 0.592 nan 8.290 nan 0.000 0.486 412 V N 1.541 121.473 119.914 0.030 0.000 2.735 412 V HA 0.434 4.552 4.120 -0.003 0.000 0.310 412 V C -0.381 175.616 176.094 -0.162 0.000 1.061 412 V CA -0.951 61.297 62.300 -0.086 0.000 0.913 412 V CB 1.869 33.663 31.823 -0.048 0.000 1.005 412 V HN 0.996 nan 8.190 nan 0.000 0.428 413 D N 3.496 123.653 120.400 -0.404 0.000 2.363 413 D HA -0.002 4.636 4.640 -0.003 0.000 0.240 413 D C 0.842 177.036 176.300 -0.178 0.000 1.236 413 D CA -0.429 53.346 54.000 -0.375 0.000 0.927 413 D CB 1.080 41.440 40.800 -0.734 0.000 1.150 413 D HN 0.505 nan 8.370 nan 0.000 0.458 414 R N -0.391 120.051 120.500 -0.096 0.000 2.307 414 R HA -0.062 4.276 4.340 -0.003 0.000 0.199 414 R C 0.590 176.868 176.300 -0.037 0.000 1.000 414 R CA 0.325 56.402 56.100 -0.038 0.000 1.023 414 R CB -0.105 30.195 30.300 0.000 0.000 0.908 414 R HN 0.389 nan 8.270 nan 0.000 0.473 415 N N -0.527 118.135 118.700 -0.062 0.000 2.328 415 N HA 0.102 4.840 4.740 -0.003 0.000 0.247 415 N C -0.154 175.333 175.510 -0.040 0.000 1.165 415 N CA 0.553 53.584 53.050 -0.032 0.000 0.873 415 N CB 0.928 39.412 38.487 -0.005 0.000 1.125 415 N HN 0.248 nan 8.380 nan 0.000 0.513 416 G N 1.020 109.778 108.800 -0.071 0.000 2.402 416 G HA2 -0.385 3.573 3.960 -0.003 0.000 0.300 416 G HA3 -0.385 3.573 3.960 -0.003 0.000 0.300 416 G C 1.022 175.907 174.900 -0.025 0.000 0.987 416 G CA 1.392 46.459 45.100 -0.056 0.000 0.881 416 G HN 0.476 nan 8.290 nan 0.000 0.512 417 K N -1.153 119.234 120.400 -0.023 0.000 2.078 417 K HA 0.358 4.676 4.320 -0.003 0.000 0.203 417 K C 1.047 177.755 176.600 0.179 0.000 1.043 417 K CA 1.264 57.615 56.287 0.107 0.000 0.960 417 K CB 0.121 32.759 32.500 0.229 0.000 0.761 417 K HN 0.652 nan 8.250 nan 0.000 0.448 418 F N -1.388 118.563 119.950 0.002 0.000 2.764 418 F HA 0.815 5.340 4.527 -0.003 0.000 0.347 418 F C -1.225 174.576 175.800 0.001 0.000 1.151 418 F CA -1.888 56.106 58.000 -0.010 0.000 1.021 418 F CB 0.923 39.910 39.000 -0.022 0.000 1.438 418 F HN -0.172 nan 8.300 nan 0.000 0.516 419 A N 0.419 123.320 122.820 0.135 0.000 2.515 419 A HA 0.787 5.105 4.320 -0.003 0.000 0.296 419 A C -1.904 175.750 177.584 0.117 0.000 1.094 419 A CA -0.851 51.201 52.037 0.025 0.000 0.718 419 A CB 1.629 20.643 19.000 0.024 0.000 1.307 419 A HN 0.792 nan 8.150 nan 0.000 0.408 420 V N 0.939 120.870 119.914 0.027 0.000 2.513 420 V HA 0.666 4.784 4.120 -0.003 0.000 0.299 420 V C -0.528 175.474 176.094 -0.153 0.000 1.035 420 V CA -0.372 61.836 62.300 -0.154 0.000 0.889 420 V CB 1.566 33.124 31.823 -0.442 0.000 0.988 420 V HN 0.750 nan 8.190 nan 0.000 0.440 421 V N 2.663 122.455 119.914 -0.202 0.000 2.841 421 V HA 0.884 5.002 4.120 -0.003 0.000 0.310 421 V C -0.192 175.871 176.094 -0.051 0.000 1.090 421 V CA -0.699 61.574 62.300 -0.045 0.000 0.930 421 V CB 2.034 33.853 31.823 -0.008 0.000 1.014 421 V HN 1.003 nan 8.190 nan 0.000 0.425 422 A N 3.635 126.524 122.820 0.115 0.000 2.330 422 A HA 0.802 5.120 4.320 -0.003 0.000 0.313 422 A C -0.324 177.373 177.584 0.189 0.000 1.124 422 A CA -0.708 51.420 52.037 0.152 0.000 0.774 422 A CB 0.771 19.947 19.000 0.295 0.000 1.198 422 A HN 1.021 nan 8.150 nan 0.000 0.465 423 N N 0.854 119.645 118.700 0.151 0.000 2.592 423 N HA 0.393 5.131 4.740 -0.003 0.000 0.292 423 N C -0.483 175.132 175.510 0.175 0.000 1.260 423 N CA -0.518 52.639 53.050 0.179 0.000 0.910 423 N CB 1.059 39.595 38.487 0.081 0.000 1.257 423 N HN 0.460 nan 8.380 nan 0.000 0.569 424 D N -0.648 119.830 120.400 0.131 0.000 2.324 424 D HA -0.018 4.620 4.640 -0.003 0.000 0.235 424 D C 0.741 176.926 176.300 -0.193 0.000 1.095 424 D CA 0.154 54.162 54.000 0.014 0.000 0.871 424 D CB -0.166 40.612 40.800 -0.038 0.000 0.906 424 D HN 0.460 nan 8.370 nan 0.000 0.522 425 R N -0.588 119.830 120.500 -0.136 0.000 2.317 425 R HA 0.256 4.594 4.340 -0.003 0.000 0.208 425 R C 0.146 176.336 176.300 -0.183 0.000 0.914 425 R CA -0.167 55.762 56.100 -0.286 0.000 1.060 425 R CB -0.090 30.127 30.300 -0.138 0.000 1.015 425 R HN 0.098 nan 8.270 nan 0.000 0.498 426 F N 0.406 120.327 119.950 -0.047 0.000 2.893 426 F HA -0.247 4.278 4.527 -0.003 0.000 0.287 426 F C -0.410 175.374 175.800 -0.027 0.000 0.766 426 F CA -0.069 57.902 58.000 -0.048 0.000 1.362 426 F CB -1.539 37.422 39.000 -0.065 0.000 1.518 426 F HN 0.179 nan 8.300 nan 0.000 0.417 427 E N 1.266 121.549 120.200 0.138 0.000 2.212 427 E HA 0.720 5.068 4.350 -0.003 0.000 0.270 427 E C -0.377 176.212 176.600 -0.019 0.000 0.956 427 E CA -0.963 55.463 56.400 0.042 0.000 0.825 427 E CB 3.202 32.899 29.700 -0.005 0.000 1.167 427 E HN 0.319 nan 8.360 nan 0.000 0.400 428 I N 3.434 123.933 120.570 -0.119 0.000 2.465 428 I HA 0.444 4.612 4.170 -0.003 0.000 0.291 428 I C -0.982 174.966 176.117 -0.282 0.000 1.014 428 I CA -0.603 60.543 61.300 -0.256 0.000 1.093 428 I CB 0.732 38.454 38.000 -0.463 0.000 1.267 428 I HN 0.633 nan 8.210 nan 0.000 0.431 429 M N 5.014 124.453 119.600 -0.268 0.000 2.622 429 M HA 0.571 5.049 4.480 -0.003 0.000 0.276 429 M C -1.462 174.726 176.300 -0.187 0.000 1.265 429 M CA -0.588 54.578 55.300 -0.224 0.000 0.850 429 M CB 2.135 34.643 32.600 -0.153 0.000 1.720 429 M HN 0.470 nan 8.290 nan 0.000 0.465 430 T N 0.051 114.517 114.554 -0.147 0.000 2.770 430 T HA 0.695 5.043 4.350 -0.003 0.000 0.283 430 T C -0.565 174.105 174.700 -0.051 0.000 0.988 430 T CA -0.698 61.370 62.100 -0.053 0.000 0.957 430 T CB 1.320 70.119 68.868 -0.115 0.000 0.930 430 T HN 0.533 nan 8.240 nan 0.000 0.443 431 V N 3.248 123.160 119.914 -0.004 0.000 2.398 431 V HA 0.307 4.425 4.120 -0.003 0.000 0.286 431 V C 0.403 176.479 176.094 -0.030 0.000 1.026 431 V CA -0.938 61.317 62.300 -0.074 0.000 0.868 431 V CB 1.480 33.230 31.823 -0.123 0.000 0.982 431 V HN 0.984 nan 8.190 nan 0.000 0.443 432 D N 4.237 124.587 120.400 -0.083 0.000 2.349 432 D HA 0.068 4.706 4.640 -0.003 0.000 0.266 432 D C 1.038 177.307 176.300 -0.052 0.000 1.293 432 D CA 0.010 53.994 54.000 -0.026 0.000 0.926 432 D CB 1.072 41.842 40.800 -0.051 0.000 1.090 432 D HN 0.525 nan 8.370 nan 0.000 0.502 433 L N 3.199 124.455 121.223 0.056 0.000 2.642 433 L HA -0.106 4.232 4.340 -0.003 0.000 0.236 433 L C 1.997 179.002 176.870 0.225 0.000 1.169 433 L CA 0.633 55.548 54.840 0.125 0.000 0.851 433 L CB -0.136 41.987 42.059 0.108 0.000 0.968 433 L HN 0.508 nan 8.230 nan 0.000 0.453 434 E N -0.504 119.789 120.200 0.155 0.000 2.121 434 E HA -0.109 4.239 4.350 -0.003 0.000 0.194 434 E C 2.146 178.874 176.600 0.214 0.000 0.940 434 E CA 1.005 57.505 56.400 0.166 0.000 0.884 434 E CB 0.217 29.971 29.700 0.090 0.000 0.874 434 E HN 0.375 nan 8.360 nan 0.000 0.471 435 T N -2.889 111.727 114.554 0.103 0.000 2.770 435 T HA 0.173 4.521 4.350 -0.003 0.000 0.258 435 T C 1.579 176.290 174.700 0.019 0.000 1.039 435 T CA 1.202 63.352 62.100 0.084 0.000 1.143 435 T CB 0.200 69.074 68.868 0.011 0.000 0.866 435 T HN 0.381 nan 8.240 nan 0.000 0.428 436 G N 0.915 109.514 108.800 -0.334 0.000 2.205 436 G HA2 -0.163 3.795 3.960 -0.003 0.000 0.180 436 G HA3 -0.163 3.795 3.960 -0.003 0.000 0.180 436 G C 0.003 174.634 174.900 -0.448 0.000 1.004 436 G CA 0.024 44.571 45.100 -0.922 0.000 0.670 436 G HN 0.779 nan 8.290 nan 0.000 0.496 437 K N 2.366 122.627 120.400 -0.231 0.000 2.336 437 K HA 0.339 4.657 4.320 -0.003 0.000 0.290 437 K C -2.063 174.452 176.600 -0.142 0.000 1.067 437 K CA -1.284 54.917 56.287 -0.144 0.000 0.962 437 K CB 0.761 33.209 32.500 -0.087 0.000 1.008 437 K HN 0.182 nan 8.250 nan 0.000 0.467 438 P HA 0.119 nan 4.420 nan 0.000 0.279 438 P C -1.103 176.136 177.300 -0.102 0.000 1.239 438 P CA -0.362 62.668 63.100 -0.116 0.000 0.789 438 P CB 1.312 32.951 31.700 -0.103 0.000 0.933 439 T N 1.900 116.387 114.554 -0.113 0.000 2.890 439 T HA 0.225 4.573 4.350 -0.003 0.000 0.295 439 T C -0.054 174.554 174.700 -0.153 0.000 0.993 439 T CA -0.426 61.602 62.100 -0.119 0.000 0.979 439 T CB 0.816 69.614 68.868 -0.116 0.000 0.967 439 T HN 0.080 nan 8.240 nan 0.000 0.441 440 V N 5.361 125.191 119.914 -0.140 0.000 2.529 440 V HA 0.164 4.282 4.120 -0.003 0.000 0.292 440 V C 1.234 177.196 176.094 -0.221 0.000 1.028 440 V CA 0.321 62.526 62.300 -0.159 0.000 1.074 440 V CB 0.232 31.989 31.823 -0.110 0.000 0.958 440 V HN 0.854 nan 8.190 nan 0.000 0.481 441 I N 2.348 122.737 120.570 -0.302 0.000 2.685 441 I HA 0.249 4.417 4.170 -0.003 0.000 0.251 441 I C 0.957 176.907 176.117 -0.279 0.000 1.102 441 I CA 0.699 61.733 61.300 -0.443 0.000 1.442 441 I CB 0.339 37.940 38.000 -0.667 0.000 1.194 441 I HN 0.678 nan 8.210 nan 0.000 0.448 442 E N 0.500 120.584 120.200 -0.194 0.000 2.390 442 E HA 0.395 4.743 4.350 -0.003 0.000 0.280 442 E C -1.092 175.543 176.600 0.060 0.000 0.992 442 E CA -0.733 55.641 56.400 -0.042 0.000 0.790 442 E CB 2.428 32.147 29.700 0.032 0.000 1.248 442 E HN -0.025 nan 8.360 nan 0.000 0.447 443 R N 2.238 122.834 120.500 0.160 0.000 2.476 443 R HA 0.364 4.702 4.340 -0.003 0.000 0.305 443 R C -1.102 175.398 176.300 0.333 0.000 0.965 443 R CA -0.371 55.847 56.100 0.197 0.000 0.867 443 R CB 1.838 32.199 30.300 0.102 0.000 1.176 443 R HN 0.448 nan 8.270 nan 0.000 0.447 444 S N 2.239 118.099 115.700 0.267 0.000 2.617 444 S HA 0.214 4.682 4.470 -0.003 0.000 0.269 444 S C 0.758 175.436 174.600 0.130 0.000 1.292 444 S CA -0.646 57.547 58.200 -0.011 0.000 1.010 444 S CB 0.766 63.683 63.200 -0.472 0.000 0.944 444 S HN 0.807 nan 8.310 nan 0.000 0.536 445 R N 1.173 121.706 120.500 0.056 0.000 2.543 445 R HA 0.384 4.722 4.340 -0.003 0.000 0.323 445 R C 0.028 176.424 176.300 0.159 0.000 1.002 445 R CA -0.330 55.884 56.100 0.190 0.000 1.106 445 R CB 0.122 30.485 30.300 0.106 0.000 1.280 445 R HN 0.461 nan 8.270 nan 0.000 0.549 446 E N 0.899 121.029 120.200 -0.115 0.000 2.288 446 E HA 0.331 4.679 4.350 -0.003 0.000 0.200 446 E C 0.392 176.595 176.600 -0.660 0.000 0.880 446 E CA 0.765 57.028 56.400 -0.228 0.000 0.971 446 E CB 1.064 30.623 29.700 -0.235 0.000 0.954 446 E HN 0.336 nan 8.360 nan 0.000 0.489 447 A N 0.380 122.490 122.820 -1.184 0.000 2.557 447 A HA 0.643 4.961 4.320 -0.003 0.000 0.292 447 A C -0.831 175.951 177.584 -1.338 0.000 1.139 447 A CA -0.715 50.445 52.037 -1.461 0.000 0.665 447 A CB 0.658 19.294 19.000 -0.607 0.000 1.285 447 A HN 0.006 nan 8.150 nan 0.000 0.433 448 M N 0.484 119.648 119.600 -0.728 0.000 2.240 448 M HA 0.291 4.769 4.480 -0.003 0.000 0.333 448 M C -0.444 175.790 176.300 -0.110 0.000 1.110 448 M CA 0.612 55.791 55.300 -0.202 0.000 1.173 448 M CB 0.209 32.785 32.600 -0.039 0.000 1.458 448 M HN 0.464 nan 8.290 nan 0.000 0.458 449 I N 2.184 122.771 120.570 0.029 0.000 2.325 449 I HA 0.065 4.233 4.170 -0.003 0.000 0.285 449 I C 1.185 177.457 176.117 0.259 0.000 1.128 449 I CA -0.154 61.217 61.300 0.118 0.000 1.261 449 I CB -0.140 37.930 38.000 0.116 0.000 1.529 449 I HN 0.819 nan 8.210 nan 0.000 0.557 450 T N -2.001 112.653 114.554 0.167 0.000 3.067 450 T HA 0.009 4.357 4.350 -0.003 0.000 0.257 450 T C 0.681 175.325 174.700 -0.093 0.000 1.105 450 T CA 0.077 62.244 62.100 0.112 0.000 1.104 450 T CB 0.024 68.921 68.868 0.048 0.000 0.925 450 T HN 0.255 nan 8.240 nan 0.000 0.498 451 D N 1.529 121.954 120.400 0.041 0.000 2.428 451 D HA 0.442 5.080 4.640 -0.003 0.000 0.221 451 D C -0.786 175.621 176.300 0.178 0.000 1.123 451 D CA -1.009 52.989 54.000 -0.003 0.000 0.869 451 D CB -0.154 40.702 40.800 0.093 0.000 1.032 451 D HN 0.501 nan 8.370 nan 0.000 0.506 452 F N 0.062 120.111 119.950 0.165 0.000 2.662 452 F HA 0.701 5.226 4.527 -0.003 0.000 0.312 452 F C -0.643 175.278 175.800 0.202 0.000 1.113 452 F CA -1.034 57.103 58.000 0.228 0.000 0.951 452 F CB 1.818 40.964 39.000 0.244 0.000 1.344 452 F HN 0.007 nan 8.300 nan 0.000 0.462 453 T N 1.484 116.373 114.554 0.558 0.000 2.868 453 T HA 0.727 5.075 4.350 -0.003 0.000 0.306 453 T C -1.573 173.465 174.700 0.563 0.000 1.224 453 T CA -0.626 61.752 62.100 0.463 0.000 1.012 453 T CB 1.521 70.586 68.868 0.329 0.000 1.221 453 T HN 0.680 nan 8.240 nan 0.000 0.499 454 I N 3.150 123.989 120.570 0.449 0.000 2.474 454 I HA 0.396 4.564 4.170 -0.003 0.000 0.294 454 I C 0.729 176.991 176.117 0.240 0.000 1.005 454 I CA -1.008 60.499 61.300 0.345 0.000 1.113 454 I CB 2.220 40.345 38.000 0.209 0.000 1.289 454 I HN 0.752 nan 8.210 nan 0.000 0.436 455 S N 2.336 117.973 115.700 -0.106 0.000 2.573 455 S HA 0.053 4.521 4.470 -0.003 0.000 0.277 455 S C 0.524 175.104 174.600 -0.033 0.000 1.346 455 S CA -0.484 57.510 58.200 -0.343 0.000 1.034 455 S CB 1.003 63.782 63.200 -0.702 0.000 0.879 455 S HN 0.583 nan 8.310 nan 0.000 0.528 456 D N 1.625 122.051 120.400 0.042 0.000 2.221 456 D HA -0.114 4.523 4.640 -0.003 0.000 0.204 456 D C 1.346 177.666 176.300 0.033 0.000 0.982 456 D CA 1.572 55.607 54.000 0.058 0.000 0.857 456 D CB -0.451 40.400 40.800 0.086 0.000 0.934 456 D HN 0.868 nan 8.370 nan 0.000 0.475 457 N N -0.932 117.781 118.700 0.023 0.000 2.370 457 N HA 0.016 4.754 4.740 -0.003 0.000 0.198 457 N C -0.096 175.410 175.510 -0.008 0.000 1.156 457 N CA 0.123 53.183 53.050 0.018 0.000 0.839 457 N CB 0.315 38.828 38.487 0.043 0.000 0.989 457 N HN -0.260 nan 8.380 nan 0.000 0.468 458 S N -1.248 114.454 115.700 0.004 0.000 3.476 458 S HA -0.260 4.208 4.470 -0.003 0.000 0.309 458 S C 1.019 175.630 174.600 0.018 0.000 1.222 458 S CA 1.148 59.407 58.200 0.097 0.000 0.922 458 S CB -1.375 61.931 63.200 0.175 0.000 1.023 458 S HN 0.775 nan 8.310 nan 0.000 0.591 459 R N -0.557 119.802 120.500 -0.236 0.000 2.175 459 R HA 0.305 4.643 4.340 -0.003 0.000 0.202 459 R C -0.084 175.743 176.300 -0.788 0.000 1.018 459 R CA 0.692 56.432 56.100 -0.599 0.000 1.029 459 R CB 0.348 30.076 30.300 -0.953 0.000 0.959 459 R HN 0.361 nan 8.270 nan 0.000 0.480 460 F N 0.252 120.047 119.950 -0.258 0.000 2.538 460 F HA 0.509 5.034 4.527 -0.003 0.000 0.325 460 F C -0.207 175.597 175.800 0.006 0.000 1.066 460 F CA -1.085 56.790 58.000 -0.207 0.000 0.946 460 F CB 1.766 40.545 39.000 -0.367 0.000 1.199 460 F HN -0.231 nan 8.300 nan 0.000 0.473 461 I N 2.178 123.022 120.570 0.457 0.000 2.476 461 I HA 0.478 4.646 4.170 -0.003 0.000 0.281 461 I C -0.723 175.798 176.117 0.674 0.000 1.040 461 I CA -0.633 61.006 61.300 0.566 0.000 1.094 461 I CB 1.452 39.769 38.000 0.528 0.000 1.219 461 I HN 0.692 nan 8.210 nan 0.000 0.450 462 A N 6.889 130.122 122.820 0.689 0.000 2.301 462 A HA 0.849 5.167 4.320 -0.003 0.000 0.312 462 A C -1.095 176.749 177.584 0.434 0.000 1.182 462 A CA -0.188 52.082 52.037 0.389 0.000 0.826 462 A CB 0.533 19.615 19.000 0.137 0.000 1.134 462 A HN 0.702 nan 8.150 nan 0.000 0.501 463 Y N -0.806 119.640 120.300 0.244 0.000 2.609 463 Y HA 0.693 5.241 4.550 -0.004 0.000 0.336 463 Y C 0.145 176.129 175.900 0.141 0.000 1.129 463 Y CA -1.009 57.240 58.100 0.247 0.000 1.040 463 Y CB 0.703 39.350 38.460 0.313 0.000 1.310 463 Y HN 0.811 nan 8.280 nan 0.000 0.460 464 G N 1.374 110.342 108.800 0.280 0.000 2.355 464 G HA2 0.401 4.359 3.960 -0.003 0.000 0.276 464 G HA3 0.401 4.359 3.960 -0.003 0.000 0.276 464 G C -1.914 173.090 174.900 0.173 0.000 1.198 464 G CA -0.384 44.777 45.100 0.102 0.000 0.876 464 G HN 0.683 nan 8.290 nan 0.000 0.478 465 F N 6.276 126.122 119.950 -0.173 0.000 2.325 465 F HA 0.445 4.970 4.527 -0.003 0.000 0.369 465 F C -1.956 173.740 175.800 -0.174 0.000 1.095 465 F CA -2.957 54.939 58.000 -0.173 0.000 1.082 465 F CB 2.089 40.761 39.000 -0.545 0.000 1.289 465 F HN 0.258 nan 8.300 nan 0.000 0.462 466 P HA 0.178 nan 4.420 nan 0.000 0.271 466 P C -1.282 175.658 177.300 -0.599 0.000 1.220 466 P CA 0.135 62.953 63.100 -0.470 0.000 0.768 466 P CB 1.377 32.844 31.700 -0.388 0.000 0.848 467 L N 0.784 121.841 121.223 -0.276 0.000 2.397 467 L HA 0.822 5.160 4.340 -0.003 0.000 0.251 467 L C -0.697 176.149 176.870 -0.041 0.000 1.064 467 L CA -0.928 53.826 54.840 -0.144 0.000 0.859 467 L CB 1.946 44.028 42.059 0.039 0.000 1.468 467 L HN 0.120 nan 8.230 nan 0.000 0.411 468 K N -0.993 119.405 120.400 -0.004 0.000 2.532 468 K HA 0.403 4.721 4.320 -0.003 0.000 0.265 468 K C -1.353 175.276 176.600 0.049 0.000 0.948 468 K CA -0.781 55.529 56.287 0.039 0.000 0.842 468 K CB 1.606 34.119 32.500 0.021 0.000 1.392 468 K HN 0.723 nan 8.250 nan 0.000 0.436 469 H N 0.670 119.759 119.070 0.033 0.000 2.476 469 H HA 0.363 4.917 4.556 -0.004 0.000 0.256 469 H C -0.879 174.464 175.328 0.027 0.000 1.321 469 H CA 0.147 56.214 56.048 0.031 0.000 1.056 469 H CB 0.591 30.370 29.762 0.028 0.000 1.643 469 H HN 0.839 nan 8.280 nan 0.000 0.541 470 G N 0.747 109.602 108.800 0.092 0.000 2.282 470 G HA2 -0.106 3.852 3.960 -0.003 0.000 0.274 470 G HA3 -0.106 3.852 3.960 -0.003 0.000 0.274 470 G C 0.110 175.031 174.900 0.036 0.000 1.718 470 G CA -0.689 44.455 45.100 0.073 0.000 0.927 470 G HN 0.188 nan 8.290 nan 0.000 0.733 471 E N 0.331 120.541 120.200 0.018 0.000 2.520 471 E HA 0.003 4.351 4.350 -0.003 0.000 0.201 471 E C 1.416 178.013 176.600 -0.005 0.000 1.122 471 E CA 1.343 57.745 56.400 0.002 0.000 0.896 471 E CB 0.097 29.791 29.700 -0.009 0.000 0.891 471 E HN 0.703 nan 8.360 nan 0.000 0.533 472 T N -3.029 111.529 114.554 0.006 0.000 3.502 472 T HA 0.072 4.420 4.350 -0.003 0.000 0.310 472 T C 0.031 174.739 174.700 0.012 0.000 0.902 472 T CA -0.657 61.442 62.100 -0.002 0.000 0.964 472 T CB 0.336 69.199 68.868 -0.009 0.000 1.200 472 T HN -0.161 nan 8.240 nan 0.000 0.599 473 D N 1.883 122.302 120.400 0.031 0.000 2.449 473 D HA 0.235 4.873 4.640 -0.003 0.000 0.236 473 D C 1.480 177.791 176.300 0.017 0.000 1.149 473 D CA 0.569 54.602 54.000 0.054 0.000 0.878 473 D CB 1.093 41.945 40.800 0.087 0.000 1.198 473 D HN 0.365 nan 8.370 nan 0.000 0.446 474 G N 0.772 109.587 108.800 0.025 0.000 2.623 474 G HA2 -0.071 3.887 3.960 -0.003 0.000 0.214 474 G HA3 -0.071 3.887 3.960 -0.003 0.000 0.214 474 G C -0.006 174.652 174.900 -0.402 0.000 1.138 474 G CA 0.554 45.561 45.100 -0.155 0.000 0.794 474 G HN 0.366 nan 8.290 nan 0.000 0.535 475 Y N -1.566 118.738 120.300 0.007 0.000 2.562 475 Y HA 0.600 5.147 4.550 -0.004 0.000 0.343 475 Y C -0.423 175.474 175.900 -0.006 0.000 1.025 475 Y CA -1.130 56.968 58.100 -0.004 0.000 1.082 475 Y CB 2.381 40.842 38.460 0.002 0.000 1.264 475 Y HN -0.195 nan 8.280 nan 0.000 0.478 476 V N 4.107 124.100 119.914 0.133 0.000 2.409 476 V HA 0.335 4.453 4.120 -0.003 0.000 0.291 476 V C -0.204 175.945 176.094 0.092 0.000 1.020 476 V CA -0.875 61.461 62.300 0.059 0.000 0.848 476 V CB 1.041 32.852 31.823 -0.021 0.000 0.990 476 V HN 0.666 nan 8.190 nan 0.000 0.430 477 M N 3.475 123.117 119.600 0.069 0.000 2.267 477 M HA 0.509 4.987 4.480 -0.003 0.000 0.303 477 M C -0.231 176.077 176.300 0.013 0.000 1.164 477 M CA -0.121 55.222 55.300 0.071 0.000 1.060 477 M CB 0.644 33.280 32.600 0.060 0.000 1.455 477 M HN 0.742 nan 8.290 nan 0.000 0.483 478 Q N 0.396 120.185 119.800 -0.019 0.000 2.263 478 Q HA 0.665 5.003 4.340 -0.003 0.000 0.262 478 Q C -2.060 173.860 176.000 -0.133 0.000 0.984 478 Q CA -0.415 55.312 55.803 -0.127 0.000 0.813 478 Q CB 2.022 30.594 28.738 -0.276 0.000 1.299 478 Q HN 0.853 nan 8.270 nan 0.000 0.428 479 A N 4.929 127.672 122.820 -0.127 0.000 2.330 479 A HA 0.612 4.930 4.320 -0.003 0.000 0.327 479 A C -0.469 176.965 177.584 -0.251 0.000 1.155 479 A CA -0.702 51.241 52.037 -0.156 0.000 0.803 479 A CB 0.781 19.731 19.000 -0.083 0.000 1.208 479 A HN 0.729 nan 8.150 nan 0.000 0.477 480 I N 2.836 123.251 120.570 -0.258 0.000 2.588 480 I HA 0.160 4.328 4.170 -0.003 0.000 0.283 480 I C -0.070 175.940 176.117 -0.178 0.000 1.119 480 I CA 0.332 61.464 61.300 -0.280 0.000 1.419 480 I CB -0.055 37.706 38.000 -0.399 0.000 1.394 480 I HN 0.546 nan 8.210 nan 0.000 0.562 481 H N 4.390 123.162 119.070 -0.496 0.000 2.524 481 H HA 0.603 5.157 4.556 -0.003 0.000 0.353 481 H C -0.681 174.334 175.328 -0.523 0.000 1.136 481 H CA -0.766 54.936 56.048 -0.578 0.000 1.193 481 H CB 2.157 31.411 29.762 -0.846 0.000 1.558 481 H HN 0.200 nan 8.280 nan 0.000 0.515 482 V N 3.666 123.564 119.914 -0.027 0.000 2.540 482 V HA 0.163 4.281 4.120 -0.003 0.000 0.302 482 V C -0.985 175.337 176.094 0.380 0.000 1.035 482 V CA -0.909 61.500 62.300 0.181 0.000 0.873 482 V CB 1.549 33.472 31.823 0.167 0.000 0.992 482 V HN 0.632 nan 8.190 nan 0.000 0.428 483 Y N 3.542 124.052 120.300 0.351 0.000 2.352 483 Y HA 0.534 5.082 4.550 -0.004 0.000 0.339 483 Y C -0.251 175.818 175.900 0.281 0.000 0.992 483 Y CA -1.106 57.181 58.100 0.313 0.000 1.100 483 Y CB 1.495 40.135 38.460 0.300 0.000 1.192 483 Y HN 0.702 nan 8.280 nan 0.000 0.458 484 D N 6.646 126.807 120.400 -0.399 0.000 2.280 484 D HA 0.124 4.762 4.640 -0.003 0.000 0.236 484 D C 0.790 176.554 176.300 -0.893 0.000 1.082 484 D CA -0.241 53.493 54.000 -0.444 0.000 0.834 484 D CB 1.254 42.017 40.800 -0.062 0.000 1.100 484 D HN 0.708 nan 8.370 nan 0.000 0.486 485 M N 1.910 121.080 119.600 -0.716 0.000 2.279 485 M HA -0.074 4.404 4.480 -0.003 0.000 0.264 485 M C 0.281 176.362 176.300 -0.365 0.000 1.062 485 M CA 1.167 56.140 55.300 -0.546 0.000 1.099 485 M CB -0.410 31.944 32.600 -0.409 0.000 1.394 485 M HN 0.355 nan 8.290 nan 0.000 0.426 486 E N -0.192 119.810 120.200 -0.330 0.000 2.146 486 E HA 0.436 4.784 4.350 -0.003 0.000 0.282 486 E C 0.899 177.415 176.600 -0.141 0.000 0.989 486 E CA 0.145 56.427 56.400 -0.197 0.000 0.799 486 E CB 0.906 30.505 29.700 -0.168 0.000 1.088 486 E HN 0.434 nan 8.360 nan 0.000 0.397 487 G N 3.876 112.623 108.800 -0.088 0.000 2.241 487 G HA2 -0.406 3.552 3.960 -0.003 0.000 0.244 487 G HA3 -0.406 3.552 3.960 -0.003 0.000 0.244 487 G C 0.315 175.190 174.900 -0.042 0.000 0.998 487 G CA -0.045 45.032 45.100 -0.037 0.000 0.621 487 G HN 0.618 nan 8.290 nan 0.000 0.519 488 R N -0.115 120.317 120.500 -0.113 0.000 2.939 488 R HA -0.189 4.149 4.340 -0.003 0.000 0.255 488 R C 0.034 176.389 176.300 0.091 0.000 0.882 488 R CA 1.703 57.781 56.100 -0.038 0.000 0.658 488 R CB -1.733 28.626 30.300 0.097 0.000 1.447 488 R HN 0.884 nan 8.270 nan 0.000 0.506 489 K N 0.491 120.899 120.400 0.015 0.000 2.498 489 K HA 0.580 4.898 4.320 -0.003 0.000 0.254 489 K C -0.443 176.135 176.600 -0.036 0.000 0.933 489 K CA -1.040 55.226 56.287 -0.036 0.000 0.806 489 K CB 2.012 34.380 32.500 -0.221 0.000 1.301 489 K HN 0.027 nan 8.250 nan 0.000 0.432 490 I N 2.367 122.845 120.570 -0.153 0.000 2.396 490 I HA 0.378 4.546 4.170 -0.003 0.000 0.292 490 I C -0.774 175.042 176.117 -0.502 0.000 0.999 490 I CA -0.740 60.489 61.300 -0.118 0.000 1.310 490 I CB 0.498 38.422 38.000 -0.126 0.000 1.404 490 I HN 0.447 nan 8.210 nan 0.000 0.496 491 F N 3.125 123.006 119.950 -0.114 0.000 2.593 491 F HA 0.629 5.154 4.527 -0.004 0.000 0.320 491 F C 0.268 175.937 175.800 -0.219 0.000 1.060 491 F CA -0.916 57.007 58.000 -0.130 0.000 0.940 491 F CB 1.630 40.604 39.000 -0.044 0.000 1.268 491 F HN 0.352 nan 8.300 nan 0.000 0.475 492 A N 0.887 123.724 122.820 0.028 0.000 2.316 492 A HA 0.634 4.952 4.320 -0.003 0.000 0.311 492 A C 0.652 178.288 177.584 0.087 0.000 1.339 492 A CA 0.115 52.128 52.037 -0.039 0.000 0.960 492 A CB 0.160 19.053 19.000 -0.179 0.000 1.152 492 A HN 0.968 nan 8.150 nan 0.000 0.547 493 A N 2.618 125.446 122.820 0.014 0.000 2.016 493 A HA 0.319 4.637 4.320 -0.003 0.000 0.217 493 A C 1.165 178.700 177.584 -0.082 0.000 1.162 493 A CA 1.614 53.621 52.037 -0.050 0.000 0.662 493 A CB 0.024 18.906 19.000 -0.197 0.000 0.812 493 A HN 0.633 nan 8.150 nan 0.000 0.450 494 T N -0.835 113.636 114.554 -0.139 0.000 2.901 494 T HA 0.506 4.854 4.350 -0.003 0.000 0.293 494 T C -0.032 174.562 174.700 -0.177 0.000 1.084 494 T CA -0.011 61.988 62.100 -0.167 0.000 1.008 494 T CB 1.584 70.265 68.868 -0.311 0.000 1.170 494 T HN 0.379 nan 8.240 nan 0.000 0.509 495 T N -0.759 113.705 114.554 -0.151 0.000 2.849 495 T HA 0.369 4.717 4.350 -0.003 0.000 0.284 495 T C 0.319 174.964 174.700 -0.092 0.000 1.004 495 T CA -0.869 61.132 62.100 -0.165 0.000 1.021 495 T CB 0.536 69.347 68.868 -0.094 0.000 1.013 495 T HN 0.720 nan 8.240 nan 0.000 0.527 496 E N 0.256 120.425 120.200 -0.052 0.000 2.462 496 E HA 0.247 4.595 4.350 -0.003 0.000 0.255 496 E C -0.188 176.424 176.600 0.020 0.000 1.311 496 E CA -0.420 55.982 56.400 0.003 0.000 1.629 496 E CB -0.708 29.023 29.700 0.053 0.000 1.510 496 E HN 0.699 nan 8.360 nan 0.000 0.438 497 N N 0.396 119.095 118.700 -0.003 0.000 2.184 497 N HA -0.005 4.733 4.740 -0.003 0.000 0.206 497 N C 0.152 175.661 175.510 -0.001 0.000 1.151 497 N CA 0.228 53.276 53.050 -0.003 0.000 0.878 497 N CB 0.831 39.308 38.487 -0.017 0.000 1.014 497 N HN 0.330 nan 8.380 nan 0.000 0.512 498 S N -1.199 114.513 115.700 0.019 0.000 3.888 498 S HA 0.187 4.655 4.470 -0.003 0.000 0.307 498 S C -1.474 173.208 174.600 0.137 0.000 1.122 498 S CA -0.741 57.495 58.200 0.060 0.000 1.197 498 S CB 1.319 64.553 63.200 0.057 0.000 1.533 498 S HN 0.048 nan 8.310 nan 0.000 0.696 499 H N 1.773 120.915 119.070 0.120 0.000 2.762 499 H HA 0.489 5.043 4.556 -0.003 0.000 0.310 499 H C -1.701 173.810 175.328 0.304 0.000 1.004 499 H CA -0.313 55.852 56.048 0.195 0.000 1.267 499 H CB 0.625 30.529 29.762 0.237 0.000 1.437 499 H HN 0.561 nan 8.280 nan 0.000 0.498 500 D N 6.066 126.460 120.400 -0.011 0.000 2.308 500 D HA 0.200 4.838 4.640 -0.003 0.000 0.242 500 D C -0.187 176.163 176.300 0.083 0.000 1.059 500 D CA -0.145 53.905 54.000 0.083 0.000 0.830 500 D CB 1.971 42.732 40.800 -0.066 0.000 1.161 500 D HN 0.571 nan 8.370 nan 0.000 0.494 501 Y N -1.788 118.512 120.300 0.001 0.000 2.974 501 Y HA 0.577 5.125 4.550 -0.004 0.000 0.310 501 Y C 0.254 176.215 175.900 0.102 0.000 1.551 501 Y CA -1.441 56.667 58.100 0.013 0.000 1.084 501 Y CB 0.476 38.964 38.460 0.046 0.000 1.446 501 Y HN 0.351 nan 8.280 nan 0.000 0.472 502 A N -0.167 122.759 122.820 0.176 0.000 2.704 502 A HA -0.147 4.171 4.320 -0.003 0.000 0.299 502 A C -2.408 175.193 177.584 0.029 0.000 1.507 502 A CA 0.374 52.460 52.037 0.081 0.000 0.776 502 A CB -2.743 16.268 19.000 0.019 0.000 1.027 502 A HN 0.587 nan 8.150 nan 0.000 0.475 503 P HA 0.377 nan 4.420 nan 0.000 0.266 503 P C -0.130 177.158 177.300 -0.020 0.000 1.193 503 P CA 1.090 64.191 63.100 0.001 0.000 0.770 503 P CB 0.881 32.560 31.700 -0.035 0.000 0.836 504 A N 2.302 125.059 122.820 -0.104 0.000 2.532 504 A HA 0.588 4.906 4.320 -0.003 0.000 0.296 504 A C -1.137 176.385 177.584 -0.104 0.000 1.058 504 A CA -0.579 51.431 52.037 -0.044 0.000 0.729 504 A CB 0.471 19.488 19.000 0.028 0.000 1.285 504 A HN 0.273 nan 8.150 nan 0.000 0.396 505 F N 1.634 121.689 119.950 0.175 0.000 2.380 505 F HA 0.474 4.999 4.527 -0.003 0.000 0.321 505 F C 0.871 176.773 175.800 0.169 0.000 1.103 505 F CA -0.008 58.106 58.000 0.190 0.000 1.067 505 F CB 1.118 40.217 39.000 0.165 0.000 1.265 505 F HN 0.689 nan 8.300 nan 0.000 0.517 506 D N 0.713 121.353 120.400 0.399 0.000 2.348 506 D HA 0.352 4.990 4.640 -0.003 0.000 0.249 506 D C 0.817 177.249 176.300 0.220 0.000 1.110 506 D CA -0.384 53.763 54.000 0.245 0.000 0.967 506 D CB 0.826 41.787 40.800 0.268 0.000 1.139 506 D HN 0.564 nan 8.370 nan 0.000 0.466 507 A N 1.226 124.132 122.820 0.143 0.000 1.881 507 A HA -0.287 4.031 4.320 -0.003 0.000 0.219 507 A C 1.513 179.174 177.584 0.130 0.000 1.215 507 A CA 2.104 54.213 52.037 0.120 0.000 0.648 507 A CB -0.856 18.194 19.000 0.083 0.000 0.832 507 A HN 0.635 nan 8.150 nan 0.000 0.455 508 D N -0.276 120.202 120.400 0.131 0.000 2.371 508 D HA 0.107 4.745 4.640 -0.003 0.000 0.221 508 D C 0.368 176.772 176.300 0.173 0.000 0.986 508 D CA 1.040 55.116 54.000 0.127 0.000 0.899 508 D CB -0.221 40.643 40.800 0.106 0.000 0.902 508 D HN 0.294 nan 8.370 nan 0.000 0.530 509 S N -0.301 115.529 115.700 0.217 0.000 3.711 509 S HA -0.164 4.304 4.470 -0.003 0.000 0.374 509 S C 1.202 175.994 174.600 0.319 0.000 0.969 509 S CA 0.358 58.719 58.200 0.269 0.000 1.198 509 S CB -0.616 62.712 63.200 0.213 0.000 0.903 509 S HN 0.292 nan 8.310 nan 0.000 0.493 510 K N -0.138 120.428 120.400 0.276 0.000 2.387 510 K HA 0.213 4.531 4.320 -0.003 0.000 0.197 510 K C 0.162 176.873 176.600 0.184 0.000 1.127 510 K CA 0.584 57.012 56.287 0.235 0.000 0.950 510 K CB 0.243 32.833 32.500 0.151 0.000 1.017 510 K HN 0.574 nan 8.250 nan 0.000 0.519 511 N N 0.232 119.050 118.700 0.196 0.000 2.242 511 N HA 0.288 5.026 4.740 -0.003 0.000 0.292 511 N C -1.666 173.898 175.510 0.090 0.000 1.125 511 N CA -0.682 52.408 53.050 0.068 0.000 0.783 511 N CB 2.018 40.470 38.487 -0.059 0.000 1.558 511 N HN -0.151 nan 8.380 nan 0.000 0.472 512 L N 1.876 123.040 121.223 -0.099 0.000 2.296 512 L HA 0.552 4.890 4.340 -0.003 0.000 0.286 512 L C -1.640 175.118 176.870 -0.186 0.000 1.023 512 L CA -0.418 54.286 54.840 -0.227 0.000 0.812 512 L CB 0.027 41.882 42.059 -0.340 0.000 1.223 512 L HN 0.491 nan 8.230 nan 0.000 0.421 513 Y N 5.302 125.538 120.300 -0.107 0.000 2.457 513 Y HA 0.682 5.230 4.550 -0.004 0.000 0.333 513 Y C -0.411 175.500 175.900 0.018 0.000 1.119 513 Y CA -0.205 57.865 58.100 -0.051 0.000 1.143 513 Y CB 1.568 39.973 38.460 -0.092 0.000 1.230 513 Y HN 0.644 nan 8.280 nan 0.000 0.469 514 Y N -1.178 119.122 120.300 -0.000 0.000 2.779 514 Y HA 0.750 5.298 4.550 -0.003 0.000 0.340 514 Y C -2.384 173.431 175.900 -0.141 0.000 1.252 514 Y CA -1.825 56.206 58.100 -0.116 0.000 1.072 514 Y CB 0.812 39.178 38.460 -0.158 0.000 1.343 514 Y HN 0.425 nan 8.280 nan 0.000 0.450 515 L N 2.063 123.086 121.223 -0.333 0.000 2.303 515 L HA 0.926 5.264 4.340 -0.003 0.000 0.266 515 L C -0.732 175.892 176.870 -0.410 0.000 1.011 515 L CA -0.983 53.556 54.840 -0.502 0.000 0.818 515 L CB 2.385 43.956 42.059 -0.813 0.000 1.326 515 L HN 0.915 nan 8.230 nan 0.000 0.435 516 S N -1.118 114.498 115.700 -0.141 0.000 2.547 516 S HA 0.417 4.885 4.470 -0.003 0.000 0.270 516 S C -1.198 173.444 174.600 0.071 0.000 1.150 516 S CA -0.742 57.509 58.200 0.084 0.000 0.850 516 S CB 0.981 64.211 63.200 0.051 0.000 1.118 516 S HN 0.370 nan 8.310 nan 0.000 0.461 517 Y N 1.181 121.681 120.300 0.333 0.000 2.880 517 Y HA 0.355 4.902 4.550 -0.004 0.000 0.386 517 Y C 1.589 177.539 175.900 0.085 0.000 1.172 517 Y CA -0.569 57.651 58.100 0.200 0.000 1.770 517 Y CB -0.262 38.288 38.460 0.150 0.000 1.809 517 Y HN 0.594 nan 8.280 nan 0.000 0.472 518 R N -1.460 119.151 120.500 0.185 0.000 2.335 518 R HA 0.136 4.474 4.340 -0.003 0.000 0.210 518 R C 0.839 177.200 176.300 0.102 0.000 0.892 518 R CA 0.112 56.274 56.100 0.103 0.000 1.048 518 R CB 0.411 30.754 30.300 0.071 0.000 1.067 518 R HN 0.035 nan 8.270 nan 0.000 0.524 519 S N 2.295 118.085 115.700 0.150 0.000 3.544 519 S HA 0.159 4.627 4.470 -0.003 0.000 0.227 519 S C 0.330 174.990 174.600 0.101 0.000 1.387 519 S CA -0.043 58.233 58.200 0.127 0.000 1.182 519 S CB -0.525 62.752 63.200 0.127 0.000 1.243 519 S HN 0.199 nan 8.310 nan 0.000 0.467 520 L N 2.325 123.566 121.223 0.031 0.000 2.615 520 L HA 0.061 4.399 4.340 -0.003 0.000 0.284 520 L C 0.341 177.332 176.870 0.202 0.000 1.237 520 L CA 0.377 55.233 54.840 0.026 0.000 0.905 520 L CB 0.002 41.971 42.059 -0.150 0.000 1.149 520 L HN 0.284 nan 8.230 nan 0.000 0.499 521 D N 4.026 124.658 120.400 0.386 0.000 2.400 521 D HA 0.188 4.826 4.640 -0.003 0.000 0.197 521 D C -2.682 173.768 176.300 0.249 0.000 1.295 521 D CA -0.841 53.314 54.000 0.259 0.000 0.878 521 D CB 1.815 42.710 40.800 0.159 0.000 1.659 521 D HN 0.103 nan 8.370 nan 0.000 0.546 522 P HA 0.242 nan 4.420 nan 0.000 0.271 522 P C -0.585 176.737 177.300 0.037 0.000 1.216 522 P CA -0.303 62.733 63.100 -0.107 0.000 0.776 522 P CB 0.925 32.487 31.700 -0.230 0.000 0.881 523 S N 3.577 119.311 115.700 0.057 0.000 2.473 523 S HA 0.485 4.953 4.470 -0.003 0.000 0.307 523 S C -2.342 172.356 174.600 0.162 0.000 1.094 523 S CA -1.311 56.952 58.200 0.105 0.000 1.070 523 S CB 1.392 64.620 63.200 0.047 0.000 1.019 523 S HN 0.447 nan 8.310 nan 0.000 0.480 524 P HA 0.130 nan 4.420 nan 0.000 0.275 524 P C -1.048 176.119 177.300 -0.222 0.000 1.228 524 P CA -0.310 62.723 63.100 -0.111 0.000 0.786 524 P CB 0.627 32.350 31.700 0.038 0.000 0.927 525 D N 2.673 122.834 120.400 -0.399 0.000 2.210 525 D HA 0.087 4.725 4.640 -0.003 0.000 0.249 525 D C 0.889 177.060 176.300 -0.215 0.000 1.078 525 D CA -0.422 53.412 54.000 -0.275 0.000 0.875 525 D CB 0.982 41.584 40.800 -0.330 0.000 1.175 525 D HN 0.110 nan 8.370 nan 0.000 0.440 526 R N 2.655 123.073 120.500 -0.137 0.000 2.299 526 R HA 0.069 4.406 4.340 -0.003 0.000 0.197 526 R C 1.011 177.260 176.300 -0.084 0.000 0.971 526 R CA 0.238 56.281 56.100 -0.095 0.000 1.030 526 R CB 0.008 30.274 30.300 -0.057 0.000 0.932 526 R HN 0.333 nan 8.270 nan 0.000 0.477 527 V N -0.622 119.228 119.914 -0.108 0.000 3.054 527 V HA 0.139 4.257 4.120 -0.003 0.000 0.227 527 V C 0.629 176.671 176.094 -0.088 0.000 1.252 527 V CA 0.275 62.529 62.300 -0.077 0.000 1.279 527 V CB 0.562 32.349 31.823 -0.060 0.000 1.118 527 V HN -0.210 nan 8.190 nan 0.000 0.504 528 V N 2.477 122.292 119.914 -0.165 0.000 2.472 528 V HA 0.381 4.499 4.120 -0.003 0.000 0.290 528 V C -0.058 175.925 176.094 -0.185 0.000 1.037 528 V CA -0.606 61.599 62.300 -0.158 0.000 0.908 528 V CB 1.587 33.193 31.823 -0.362 0.000 0.985 528 V HN 0.386 nan 8.190 nan 0.000 0.454 529 L N 5.928 127.091 121.223 -0.101 0.000 2.774 529 L HA 0.227 4.565 4.340 -0.003 0.000 0.284 529 L C -0.012 176.746 176.870 -0.187 0.000 1.149 529 L CA 1.171 55.929 54.840 -0.137 0.000 1.069 529 L CB -1.365 40.684 42.059 -0.016 0.000 1.407 529 L HN 0.861 nan 8.230 nan 0.000 0.460 530 N N 3.698 122.142 118.700 -0.425 0.000 2.961 530 N HA 0.428 5.166 4.740 -0.003 0.000 0.245 530 N C -1.836 173.251 175.510 -0.705 0.000 1.404 530 N CA -0.428 52.415 53.050 -0.346 0.000 0.880 530 N CB 1.101 39.454 38.487 -0.223 0.000 1.461 530 N HN 0.194 nan 8.380 nan 0.000 0.510 531 F N 0.151 120.026 119.950 -0.125 0.000 2.588 531 F HA 0.540 5.066 4.527 -0.002 0.000 0.310 531 F C 0.424 176.063 175.800 -0.268 0.000 1.082 531 F CA -0.515 57.376 58.000 -0.181 0.000 0.929 531 F CB 2.147 41.032 39.000 -0.191 0.000 1.254 531 F HN 0.353 nan 8.300 nan 0.000 0.455 532 S N 1.356 116.979 115.700 -0.128 0.000 2.569 532 S HA 0.680 5.148 4.470 -0.003 0.000 0.280 532 S C -1.358 173.043 174.600 -0.331 0.000 1.111 532 S CA -0.568 57.487 58.200 -0.240 0.000 0.887 532 S CB 0.712 63.850 63.200 -0.104 0.000 1.095 532 S HN 0.390 nan 8.310 nan 0.000 0.476 533 F N 3.212 123.188 119.950 0.044 0.000 2.462 533 F HA 0.357 4.882 4.527 -0.002 0.000 0.354 533 F C 1.528 177.346 175.800 0.029 0.000 1.192 533 F CA -0.387 57.637 58.000 0.041 0.000 1.173 533 F CB 0.736 39.753 39.000 0.027 0.000 1.402 533 F HN 0.612 nan 8.300 nan 0.000 0.595 534 E N 1.725 122.016 120.200 0.151 0.000 2.045 534 E HA 0.006 4.354 4.350 -0.003 0.000 0.190 534 E C 0.801 177.478 176.600 0.129 0.000 0.968 534 E CA 0.902 57.367 56.400 0.107 0.000 0.813 534 E CB -0.024 29.714 29.700 0.065 0.000 0.780 534 E HN 0.294 nan 8.360 nan 0.000 0.455 535 V N 0.703 120.694 119.914 0.129 0.000 2.225 535 V HA 0.319 4.437 4.120 -0.003 0.000 0.264 535 V C 0.478 176.647 176.094 0.126 0.000 1.067 535 V CA -0.502 61.853 62.300 0.092 0.000 0.903 535 V CB 0.623 32.472 31.823 0.044 0.000 1.136 535 V HN 0.027 nan 8.190 nan 0.000 0.456 536 V N -0.245 119.786 119.914 0.195 0.000 3.070 536 V HA 0.478 4.596 4.120 -0.003 0.000 0.345 536 V C 0.588 176.796 176.094 0.191 0.000 1.403 536 V CA 0.417 62.842 62.300 0.208 0.000 1.155 536 V CB 0.117 32.086 31.823 0.244 0.000 1.140 536 V HN 0.613 nan 8.190 nan 0.000 0.505 537 S N 1.517 117.264 115.700 0.078 0.000 2.525 537 S HA 0.704 5.172 4.470 -0.003 0.000 0.278 537 S C -0.508 174.134 174.600 0.071 0.000 1.234 537 S CA -0.391 57.778 58.200 -0.051 0.000 1.058 537 S CB 1.219 64.282 63.200 -0.228 0.000 0.983 537 S HN 0.711 nan 8.310 nan 0.000 0.495 538 K N 3.606 124.101 120.400 0.159 0.000 2.562 538 K HA 0.520 4.838 4.320 -0.003 0.000 0.267 538 K C -3.035 173.580 176.600 0.025 0.000 0.938 538 K CA -1.924 54.446 56.287 0.139 0.000 0.840 538 K CB 2.107 34.607 32.500 -0.001 0.000 1.390 538 K HN 0.372 nan 8.250 nan 0.000 0.428 539 P HA 0.374 nan 4.420 nan 0.000 0.284 539 P C -1.144 175.879 177.300 -0.460 0.000 1.258 539 P CA -0.340 62.612 63.100 -0.247 0.000 0.824 539 P CB 0.713 32.249 31.700 -0.273 0.000 1.038 540 F N 0.062 119.675 119.950 -0.563 0.000 2.650 540 F HA 0.604 5.129 4.527 -0.004 0.000 0.320 540 F C 0.011 175.463 175.800 -0.581 0.000 1.091 540 F CA -0.913 56.737 58.000 -0.583 0.000 0.962 540 F CB 1.948 40.485 39.000 -0.771 0.000 1.363 540 F HN 0.073 nan 8.300 nan 0.000 0.482 541 V N 2.298 122.093 119.914 -0.198 0.000 3.114 541 V HA 0.707 4.825 4.120 -0.003 0.000 0.308 541 V C -1.638 174.374 176.094 -0.136 0.000 1.168 541 V CA -0.713 61.363 62.300 -0.373 0.000 1.015 541 V CB 2.461 33.884 31.823 -0.666 0.000 1.050 541 V HN 0.595 nan 8.190 nan 0.000 0.433 542 I N 6.342 126.813 120.570 -0.164 0.000 2.531 542 I HA 0.384 4.552 4.170 -0.003 0.000 0.283 542 I C -2.679 173.372 176.117 -0.110 0.000 1.083 542 I CA -1.557 59.697 61.300 -0.076 0.000 1.071 542 I CB 2.650 40.639 38.000 -0.019 0.000 1.210 542 I HN 0.472 nan 8.210 nan 0.000 0.450 543 P HA 0.160 nan 4.420 nan 0.000 0.276 543 P C 0.552 177.828 177.300 -0.041 0.000 1.235 543 P CA -0.154 62.916 63.100 -0.050 0.000 0.772 543 P CB 1.250 32.928 31.700 -0.036 0.000 0.871 544 L N 2.662 123.880 121.223 -0.009 0.000 2.551 544 L HA 0.113 4.451 4.340 -0.003 0.000 0.228 544 L C 1.097 178.013 176.870 0.078 0.000 1.153 544 L CA 0.731 55.553 54.840 -0.029 0.000 0.851 544 L CB -0.400 41.619 42.059 -0.067 0.000 0.959 544 L HN 0.340 nan 8.230 nan 0.000 0.451 545 I N 0.867 121.472 120.570 0.059 0.000 2.405 545 I HA 0.285 4.453 4.170 -0.003 0.000 0.280 545 I C -2.247 173.865 176.117 -0.007 0.000 1.027 545 I CA -2.033 59.285 61.300 0.031 0.000 1.161 545 I CB 1.353 39.352 38.000 -0.001 0.000 1.300 545 I HN -0.268 nan 8.210 nan 0.000 0.463 546 P HA 0.009 nan 4.420 nan 0.000 0.263 546 P C 0.953 178.238 177.300 -0.024 0.000 1.175 546 P CA 0.956 64.038 63.100 -0.030 0.000 0.761 546 P CB 0.621 32.302 31.700 -0.033 0.000 0.794 547 G N 1.466 110.251 108.800 -0.025 0.000 2.279 547 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.223 547 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.223 547 G C 0.506 175.396 174.900 -0.017 0.000 1.015 547 G CA 0.159 45.247 45.100 -0.020 0.000 0.621 547 G HN 0.771 nan 8.290 nan 0.000 0.506 548 S N 3.301 118.991 115.700 -0.017 0.000 2.528 548 S HA 0.607 5.075 4.470 -0.003 0.000 0.277 548 S C -1.187 173.405 174.600 -0.015 0.000 1.297 548 S CA -0.333 57.860 58.200 -0.012 0.000 1.052 548 S CB 1.266 64.461 63.200 -0.007 0.000 0.917 548 S HN 0.467 nan 8.310 nan 0.000 0.492 549 P HA 0.173 nan 4.420 nan 0.000 0.282 549 P C -0.787 176.504 177.300 -0.015 0.000 1.287 549 P CA -0.813 62.280 63.100 -0.012 0.000 0.792 549 P CB 0.407 32.104 31.700 -0.006 0.000 1.163 550 N N 1.592 120.280 118.700 -0.020 0.000 2.427 550 N HA 0.008 4.745 4.740 -0.003 0.000 0.269 550 N C -1.194 174.317 175.510 0.000 0.000 1.235 550 N CA -1.535 51.497 53.050 -0.030 0.000 0.934 550 N CB 0.070 38.535 38.487 -0.037 0.000 1.121 550 N HN 0.191 nan 8.380 nan 0.000 0.480 551 P HA -0.174 nan 4.420 nan 0.000 0.217 551 P C 0.967 178.312 177.300 0.075 0.000 1.148 551 P CA 1.519 64.654 63.100 0.059 0.000 0.828 551 P CB -0.081 31.682 31.700 0.106 0.000 0.783 552 T N -3.352 111.251 114.554 0.082 0.000 3.085 552 T HA 0.034 4.382 4.350 -0.003 0.000 0.263 552 T C 1.657 176.402 174.700 0.075 0.000 1.127 552 T CA 0.538 62.701 62.100 0.105 0.000 1.103 552 T CB -0.607 68.329 68.868 0.113 0.000 0.921 552 T HN 0.149 nan 8.240 nan 0.000 0.510 553 K N 0.950 121.373 120.400 0.040 0.000 2.555 553 K HA 0.252 4.570 4.320 -0.003 0.000 0.193 553 K C 0.369 176.986 176.600 0.027 0.000 1.032 553 K CA 0.028 56.331 56.287 0.027 0.000 1.004 553 K CB -0.495 32.010 32.500 0.009 0.000 0.804 553 K HN 0.405 nan 8.250 nan 0.000 0.496 554 L N 0.969 122.212 121.223 0.033 0.000 3.762 554 L HA -0.198 4.140 4.340 -0.003 0.000 0.460 554 L C -0.573 176.306 176.870 0.016 0.000 1.255 554 L CA -0.196 54.660 54.840 0.026 0.000 0.783 554 L CB -1.874 40.198 42.059 0.022 0.000 1.600 554 L HN -0.099 nan 8.230 nan 0.000 0.862 555 V N 0.783 120.705 119.914 0.015 0.000 2.405 555 V HA 0.198 4.316 4.120 -0.003 0.000 0.264 555 V C -1.273 174.826 176.094 0.008 0.000 1.048 555 V CA -1.185 61.120 62.300 0.009 0.000 0.966 555 V CB 0.686 32.512 31.823 0.006 0.000 1.015 555 V HN 0.186 nan 8.190 nan 0.000 0.477 556 P HA -0.055 nan 4.420 nan 0.000 0.259 556 P C 0.796 178.099 177.300 0.005 0.000 1.163 556 P CA 0.088 63.191 63.100 0.005 0.000 0.760 556 P CB 0.435 32.137 31.700 0.003 0.000 0.762 557 R N 4.056 124.559 120.500 0.005 0.000 2.105 557 R HA -0.165 4.173 4.340 -0.003 0.000 0.239 557 R C 1.889 178.190 176.300 0.002 0.000 1.135 557 R CA 2.400 58.502 56.100 0.004 0.000 0.967 557 R CB -1.277 29.026 30.300 0.005 0.000 0.861 557 R HN 0.528 nan 8.270 nan 0.000 0.442 558 S N -0.837 114.864 115.700 0.001 0.000 2.469 558 S HA -0.113 4.355 4.470 -0.003 0.000 0.238 558 S C 1.660 176.260 174.600 -0.000 0.000 0.998 558 S CA 1.326 59.526 58.200 0.000 0.000 0.957 558 S CB -0.207 62.993 63.200 0.000 0.000 0.764 558 S HN 0.419 nan 8.310 nan 0.000 0.514 559 M N 1.924 121.524 119.600 0.000 0.000 2.383 559 M HA 0.201 4.679 4.480 -0.003 0.000 0.247 559 M C -0.081 176.219 176.300 -0.001 0.000 1.117 559 M CA -0.017 55.283 55.300 -0.000 0.000 0.995 559 M CB 0.551 33.151 32.600 0.000 0.000 1.480 559 M HN 0.416 nan 8.290 nan 0.000 0.485 560 T N -2.188 112.366 114.554 -0.001 0.000 2.901 560 T HA 0.588 4.936 4.350 -0.003 0.000 0.293 560 T C -0.012 174.686 174.700 -0.004 0.000 1.084 560 T CA -0.893 61.205 62.100 -0.003 0.000 1.008 560 T CB 1.841 70.708 68.868 -0.002 0.000 1.170 560 T HN 0.093 nan 8.240 nan 0.000 0.509 561 S N -0.351 115.345 115.700 -0.006 0.000 2.128 561 S HA 0.463 4.930 4.470 -0.003 0.000 0.157 561 S C -0.258 174.336 174.600 -0.011 0.000 1.650 561 S CA -0.788 57.407 58.200 -0.008 0.000 1.269 561 S CB 0.265 63.460 63.200 -0.009 0.000 1.227 561 S HN 0.646 nan 8.310 nan 0.000 0.405 562 E N 2.434 122.628 120.200 -0.011 0.000 4.521 562 E HA 0.621 4.969 4.350 -0.003 0.000 0.562 562 E C 1.106 177.693 176.600 -0.022 0.000 1.127 562 E CA 0.603 56.995 56.400 -0.014 0.000 3.733 562 E CB -0.378 29.317 29.700 -0.010 0.000 1.950 562 E HN 1.170 nan 8.360 nan 0.000 0.434 563 A N -0.756 122.047 122.820 -0.029 0.000 2.791 563 A HA -0.158 4.160 4.320 -0.003 0.000 0.292 563 A C 1.001 178.557 177.584 -0.047 0.000 1.487 563 A CA 1.077 53.089 52.037 -0.041 0.000 0.760 563 A CB -2.277 16.704 19.000 -0.031 0.000 1.031 563 A HN 0.488 nan 8.150 nan 0.000 0.503 564 G N -1.203 107.567 108.800 -0.049 0.000 3.197 564 G HA2 0.476 4.434 3.960 -0.003 0.000 0.167 564 G HA3 0.476 4.434 3.960 -0.003 0.000 0.167 564 G C 0.259 175.118 174.900 -0.068 0.000 1.914 564 G CA 0.666 45.739 45.100 -0.045 0.000 0.956 564 G HN 0.999 nan 8.290 nan 0.000 0.480 565 E N -2.203 117.959 120.200 -0.063 0.000 2.380 565 E HA 0.274 4.622 4.350 -0.003 0.000 0.281 565 E C -1.420 175.174 176.600 -0.011 0.000 0.999 565 E CA -0.725 55.625 56.400 -0.084 0.000 0.800 565 E CB 1.401 31.077 29.700 -0.040 0.000 1.228 565 E HN 0.374 nan 8.360 nan 0.000 0.436 566 Y N 1.776 122.078 120.300 0.003 0.000 2.904 566 Y HA -0.043 4.505 4.550 -0.004 0.000 0.336 566 Y C 0.483 176.353 175.900 -0.050 0.000 1.263 566 Y CA 0.653 58.746 58.100 -0.011 0.000 1.547 566 Y CB 0.466 38.976 38.460 0.083 0.000 1.272 566 Y HN 0.331 nan 8.280 nan 0.000 0.596 567 D N 4.524 124.966 120.400 0.071 0.000 2.312 567 D HA 0.115 4.753 4.640 -0.003 0.000 0.229 567 D C -0.437 175.755 176.300 -0.180 0.000 1.337 567 D CA -0.280 53.691 54.000 -0.049 0.000 0.964 567 D CB 0.526 41.314 40.800 -0.020 0.000 1.456 567 D HN 0.530 nan 8.370 nan 0.000 0.547 568 L N 1.970 122.940 121.223 -0.422 0.000 2.591 568 L HA 0.209 4.547 4.340 -0.003 0.000 0.228 568 L C 0.463 177.123 176.870 -0.350 0.000 1.133 568 L CA 0.021 54.504 54.840 -0.595 0.000 0.880 568 L CB -0.491 40.859 42.059 -1.181 0.000 1.033 568 L HN 0.107 nan 8.230 nan 0.000 0.450 569 N N 1.016 119.641 118.700 -0.126 0.000 2.497 569 N HA -0.003 4.735 4.740 -0.003 0.000 0.268 569 N C -0.088 175.426 175.510 0.007 0.000 1.171 569 N CA -0.093 53.015 53.050 0.097 0.000 0.948 569 N CB 0.302 38.856 38.487 0.111 0.000 1.069 569 N HN 0.052 nan 8.380 nan 0.000 0.460 570 D N 1.203 121.633 120.400 0.050 0.000 2.751 570 D HA -0.232 4.406 4.640 -0.003 0.000 0.233 570 D C 1.143 177.198 176.300 -0.407 0.000 1.149 570 D CA 0.676 54.508 54.000 -0.280 0.000 0.682 570 D CB -0.864 39.775 40.800 -0.269 0.000 1.068 570 D HN 0.716 nan 8.370 nan 0.000 0.429 571 M N -1.786 117.720 119.600 -0.157 0.000 2.374 571 M HA -0.169 4.309 4.480 -0.003 0.000 0.264 571 M C 2.113 178.333 176.300 -0.133 0.000 1.067 571 M CA 1.091 56.309 55.300 -0.137 0.000 1.103 571 M CB -0.732 31.811 32.600 -0.094 0.000 1.402 571 M HN 0.160 nan 8.290 nan 0.000 0.444 572 Y N 0.539 120.815 120.300 -0.040 0.000 2.569 572 Y HA 0.123 4.670 4.550 -0.004 0.000 0.293 572 Y C 1.587 177.476 175.900 -0.019 0.000 1.144 572 Y CA 0.628 58.703 58.100 -0.042 0.000 1.321 572 Y CB -1.049 37.382 38.460 -0.049 0.000 0.982 572 Y HN 0.244 nan 8.280 nan 0.000 0.558 573 K N 0.687 120.791 120.400 -0.494 0.000 2.262 573 K HA 0.101 4.419 4.320 -0.003 0.000 0.200 573 K C 1.731 178.253 176.600 -0.130 0.000 1.049 573 K CA 0.600 56.709 56.287 -0.297 0.000 0.979 573 K CB 0.004 32.281 32.500 -0.372 0.000 0.773 573 K HN 0.368 nan 8.250 nan 0.000 0.474 574 R N 1.437 121.864 120.500 -0.122 0.000 2.313 574 R HA 0.039 4.377 4.340 -0.003 0.000 0.199 574 R C 0.741 177.031 176.300 -0.016 0.000 0.958 574 R CA 0.109 56.170 56.100 -0.064 0.000 1.047 574 R CB -0.070 30.187 30.300 -0.072 0.000 0.955 574 R HN 0.075 nan 8.270 nan 0.000 0.481 575 S N 0.774 116.483 115.700 0.016 0.000 2.558 575 S HA 0.088 4.556 4.470 -0.003 0.000 0.287 575 S C 0.155 174.828 174.600 0.122 0.000 1.321 575 S CA -0.438 57.818 58.200 0.094 0.000 1.048 575 S CB 1.427 64.713 63.200 0.144 0.000 0.844 575 S HN 0.143 nan 8.310 nan 0.000 0.512 576 S N 2.466 118.259 115.700 0.155 0.000 2.533 576 S HA 0.690 5.158 4.470 -0.003 0.000 0.271 576 S C -3.129 171.488 174.600 0.028 0.000 1.143 576 S CA -1.355 56.905 58.200 0.099 0.000 0.891 576 S CB 1.855 65.055 63.200 -0.000 0.000 1.105 576 S HN 0.724 nan 8.310 nan 0.000 0.468 577 P HA 0.488 nan 4.420 nan 0.000 0.278 577 P C -0.831 176.216 177.300 -0.423 0.000 1.266 577 P CA -0.741 61.929 63.100 -0.717 0.000 0.807 577 P CB 0.719 31.875 31.700 -0.908 0.000 1.094 578 I N -1.470 118.818 120.570 -0.469 0.000 2.404 578 I HA 0.406 4.574 4.170 -0.003 0.000 0.293 578 I C 0.205 176.116 176.117 -0.342 0.000 0.992 578 I CA -0.846 60.256 61.300 -0.330 0.000 1.149 578 I CB 1.299 39.109 38.000 -0.316 0.000 1.315 578 I HN 0.111 nan 8.210 nan 0.000 0.446 579 N N 6.295 124.857 118.700 -0.230 0.000 2.526 579 N HA 0.054 4.792 4.740 -0.003 0.000 0.302 579 N C -1.355 174.060 175.510 -0.159 0.000 1.232 579 N CA 0.353 53.318 53.050 -0.141 0.000 1.127 579 N CB -0.062 38.413 38.487 -0.020 0.000 1.476 579 N HN 0.523 nan 8.380 nan 0.000 0.498 580 V N 2.243 122.037 119.914 -0.200 0.000 2.623 580 V HA 0.109 4.227 4.120 -0.003 0.000 0.304 580 V C -0.432 175.650 176.094 -0.021 0.000 1.054 580 V CA -1.141 61.068 62.300 -0.152 0.000 0.882 580 V CB 2.060 33.678 31.823 -0.342 0.000 1.002 580 V HN 0.342 nan 8.190 nan 0.000 0.424 581 D N 5.534 125.967 120.400 0.055 0.000 2.571 581 D HA 0.110 4.747 4.640 -0.003 0.000 0.231 581 D C -2.304 174.096 176.300 0.168 0.000 1.133 581 D CA -0.283 53.773 54.000 0.094 0.000 0.862 581 D CB 0.665 41.525 40.800 0.101 0.000 1.179 581 D HN 0.289 nan 8.370 nan 0.000 0.474 582 P HA 0.285 nan 4.420 nan 0.000 0.268 582 P C 0.120 177.415 177.300 -0.007 0.000 1.205 582 P CA -0.022 63.129 63.100 0.085 0.000 0.771 582 P CB 1.062 32.803 31.700 0.068 0.000 0.858 583 G N 0.907 109.540 108.800 -0.277 0.000 2.635 583 G HA2 0.316 4.274 3.960 -0.003 0.000 0.194 583 G HA3 0.316 4.274 3.960 -0.003 0.000 0.194 583 G C -1.611 172.972 174.900 -0.527 0.000 1.198 583 G CA -0.195 44.655 45.100 -0.416 0.000 0.972 583 G HN 0.403 nan 8.290 nan 0.000 0.520 584 D N 0.238 120.322 120.400 -0.526 0.000 2.412 584 D HA 0.426 5.064 4.640 -0.003 0.000 0.276 584 D C -1.153 175.093 176.300 -0.090 0.000 1.196 584 D CA -0.411 53.488 54.000 -0.168 0.000 0.905 584 D CB -0.039 40.802 40.800 0.069 0.000 1.081 584 D HN 0.287 nan 8.370 nan 0.000 0.502 585 Y N 1.402 121.825 120.300 0.204 0.000 2.310 585 Y HA 0.396 4.944 4.550 -0.003 0.000 0.326 585 Y C 1.718 177.821 175.900 0.338 0.000 1.151 585 Y CA -0.953 57.274 58.100 0.212 0.000 1.195 585 Y CB 1.375 39.892 38.460 0.095 0.000 1.210 585 Y HN 0.037 nan 8.280 nan 0.000 0.483 586 R N 1.630 122.451 120.500 0.535 0.000 2.469 586 R HA 0.301 4.638 4.340 -0.003 0.000 0.250 586 R C -0.573 175.926 176.300 0.331 0.000 0.909 586 R CA 0.091 56.467 56.100 0.461 0.000 1.050 586 R CB 0.887 31.380 30.300 0.321 0.000 1.256 586 R HN 0.808 nan 8.270 nan 0.000 0.550 587 M N 0.269 120.034 119.600 0.275 0.000 2.490 587 M HA 0.456 4.934 4.480 -0.003 0.000 0.286 587 M C -2.012 174.338 176.300 0.084 0.000 1.185 587 M CA -0.688 54.700 55.300 0.146 0.000 0.912 587 M CB 2.763 35.424 32.600 0.102 0.000 1.744 587 M HN 0.000 nan 8.290 nan 0.000 0.494 588 I N 4.879 125.456 120.570 0.011 0.000 2.499 588 I HA 0.559 4.726 4.170 -0.003 0.000 0.288 588 I C -1.890 174.189 176.117 -0.064 0.000 1.048 588 I CA -0.727 60.539 61.300 -0.055 0.000 1.062 588 I CB 1.565 39.507 38.000 -0.097 0.000 1.238 588 I HN 0.739 nan 8.210 nan 0.000 0.426 589 I N 9.483 130.000 120.570 -0.089 0.000 2.439 589 I HA 0.390 4.558 4.170 -0.003 0.000 0.283 589 I C -2.440 173.567 176.117 -0.184 0.000 1.023 589 I CA -1.835 59.409 61.300 -0.094 0.000 1.100 589 I CB 1.942 39.927 38.000 -0.024 0.000 1.238 589 I HN 0.339 nan 8.210 nan 0.000 0.445 590 P HA 0.325 nan 4.420 nan 0.000 0.282 590 P C -0.846 176.348 177.300 -0.177 0.000 1.262 590 P CA -0.022 62.821 63.100 -0.428 0.000 0.773 590 P CB 1.489 32.704 31.700 -0.808 0.000 0.879 591 L N 1.819 122.972 121.223 -0.117 0.000 2.267 591 L HA 0.358 4.696 4.340 -0.003 0.000 0.264 591 L C 2.267 179.128 176.870 -0.015 0.000 1.021 591 L CA -0.813 54.004 54.840 -0.039 0.000 0.861 591 L CB 0.733 42.782 42.059 -0.017 0.000 1.443 591 L HN 0.321 nan 8.230 nan 0.000 0.475 592 E N 0.438 120.643 120.200 0.008 0.000 2.021 592 E HA -0.228 4.120 4.350 -0.003 0.000 0.200 592 E C 0.974 177.587 176.600 0.022 0.000 1.015 592 E CA 2.204 58.616 56.400 0.020 0.000 0.824 592 E CB 0.120 29.832 29.700 0.021 0.000 0.762 592 E HN 0.629 nan 8.360 nan 0.000 0.454 593 S N -0.832 114.876 115.700 0.015 0.000 2.855 593 S HA 0.261 4.729 4.470 -0.003 0.000 0.249 593 S C -0.235 174.370 174.600 0.009 0.000 1.033 593 S CA -0.167 58.041 58.200 0.014 0.000 1.038 593 S CB 0.728 63.930 63.200 0.004 0.000 0.960 593 S HN 0.273 nan 8.310 nan 0.000 0.548 594 S N 0.601 116.310 115.700 0.015 0.000 2.656 594 S HA 0.817 5.285 4.470 -0.003 0.000 0.273 594 S C -1.359 173.257 174.600 0.027 0.000 1.168 594 S CA -0.980 57.239 58.200 0.031 0.000 0.817 594 S CB 0.924 64.130 63.200 0.009 0.000 1.146 594 S HN 0.296 nan 8.310 nan 0.000 0.475 595 I N 1.052 121.658 120.570 0.060 0.000 2.534 595 I HA 0.363 4.531 4.170 -0.003 0.000 0.288 595 I C -1.223 174.888 176.117 -0.009 0.000 1.077 595 I CA -0.736 60.548 61.300 -0.027 0.000 1.051 595 I CB 1.900 39.858 38.000 -0.071 0.000 1.234 595 I HN 0.524 nan 8.210 nan 0.000 0.425 596 L N 6.614 127.818 121.223 -0.032 0.000 2.312 596 L HA 0.591 4.929 4.340 -0.003 0.000 0.281 596 L C -0.512 176.344 176.870 -0.024 0.000 1.070 596 L CA -0.465 54.375 54.840 0.001 0.000 0.805 596 L CB 1.281 43.362 42.059 0.036 0.000 1.174 596 L HN 0.422 nan 8.230 nan 0.000 0.434 597 I N 2.366 122.922 120.570 -0.022 0.000 2.582 597 I HA 0.229 4.397 4.170 -0.003 0.000 0.292 597 I C -1.206 174.950 176.117 0.066 0.000 1.066 597 I CA -0.723 60.546 61.300 -0.052 0.000 1.053 597 I CB 2.428 40.259 38.000 -0.283 0.000 1.241 597 I HN 0.432 nan 8.210 nan 0.000 0.421 598 Y N 5.401 125.735 120.300 0.056 0.000 2.404 598 Y HA 0.375 4.923 4.550 -0.003 0.000 0.344 598 Y C 0.367 176.407 175.900 0.234 0.000 0.970 598 Y CA 0.068 58.247 58.100 0.131 0.000 1.180 598 Y CB 1.201 39.742 38.460 0.135 0.000 1.138 598 Y HN 0.576 nan 8.280 nan 0.000 0.510 599 S N 4.768 120.459 115.700 -0.015 0.000 2.549 599 S HA 0.735 5.203 4.470 -0.003 0.000 0.297 599 S C -1.474 173.124 174.600 -0.004 0.000 1.115 599 S CA -0.590 57.709 58.200 0.164 0.000 1.059 599 S CB 1.150 64.467 63.200 0.196 0.000 1.046 599 S HN 0.445 nan 8.310 nan 0.000 0.506 600 V N 5.543 125.520 119.914 0.105 0.000 2.340 600 V HA 0.396 4.514 4.120 -0.003 0.000 0.277 600 V C -2.442 173.693 176.094 0.068 0.000 1.017 600 V CA -1.746 60.603 62.300 0.081 0.000 0.820 600 V CB 0.785 32.714 31.823 0.176 0.000 1.028 600 V HN 0.768 nan 8.190 nan 0.000 0.436 601 P HA 0.046 nan 4.420 nan 0.000 0.265 601 P C 0.091 177.474 177.300 0.139 0.000 1.187 601 P CA 0.196 63.328 63.100 0.054 0.000 0.766 601 P CB 0.512 32.225 31.700 0.021 0.000 0.820 602 V N 5.205 125.212 119.914 0.154 0.000 2.788 602 V HA 0.099 4.217 4.120 -0.003 0.000 0.307 602 V C 0.710 176.966 176.094 0.271 0.000 1.069 602 V CA 0.919 63.343 62.300 0.206 0.000 1.173 602 V CB -0.576 31.309 31.823 0.103 0.000 0.925 602 V HN 0.805 nan 8.190 nan 0.000 0.492 603 H N 1.889 120.986 119.070 0.045 0.000 3.003 603 H HA 0.501 5.055 4.556 -0.005 0.000 0.327 603 H C -0.106 175.257 175.328 0.058 0.000 1.353 603 H CA -0.474 55.604 56.048 0.049 0.000 1.142 603 H CB 1.218 31.014 29.762 0.057 0.000 1.864 603 H HN 0.733 nan 8.280 nan 0.000 0.529 604 G N -0.431 108.343 108.800 -0.043 0.000 2.667 604 G HA2 0.241 4.199 3.960 -0.003 0.000 0.250 604 G HA3 0.241 4.199 3.960 -0.003 0.000 0.250 604 G C 0.128 174.957 174.900 -0.119 0.000 1.212 604 G CA -0.364 44.697 45.100 -0.064 0.000 0.874 604 G HN 0.689 nan 8.290 nan 0.000 0.561 605 E N -0.091 120.105 120.200 -0.008 0.000 2.583 605 E HA 0.088 4.436 4.350 -0.003 0.000 0.213 605 E C 1.061 177.769 176.600 0.181 0.000 0.989 605 E CA -0.477 55.948 56.400 0.042 0.000 0.991 605 E CB 0.285 29.980 29.700 -0.008 0.000 1.040 605 E HN 0.473 nan 8.360 nan 0.000 0.481 606 F N 2.347 122.359 119.950 0.104 0.000 2.026 606 F HA -0.251 4.276 4.527 0.001 0.000 0.296 606 F C 2.312 178.284 175.800 0.286 0.000 1.133 606 F CA 2.144 60.277 58.000 0.221 0.000 1.188 606 F CB -0.333 38.746 39.000 0.132 0.000 0.968 606 F HN 0.035 nan 8.300 nan 0.000 0.476 607 A N 0.289 123.448 122.820 0.565 0.000 1.917 607 A HA -0.183 4.135 4.320 -0.003 0.000 0.219 607 A C 2.362 180.092 177.584 0.243 0.000 1.182 607 A CA 2.267 54.542 52.037 0.397 0.000 0.633 607 A CB -1.681 17.488 19.000 0.281 0.000 0.819 607 A HN 0.578 nan 8.150 nan 0.000 0.448 608 A N -2.098 120.847 122.820 0.209 0.000 1.930 608 A HA -0.067 4.251 4.320 -0.003 0.000 0.217 608 A C 2.138 179.758 177.584 0.061 0.000 1.175 608 A CA 1.599 53.719 52.037 0.138 0.000 0.627 608 A CB -0.661 18.434 19.000 0.158 0.000 0.815 608 A HN 0.721 nan 8.150 nan 0.000 0.443 609 Y N -1.482 118.749 120.300 -0.115 0.000 2.286 609 Y HA -0.117 4.431 4.550 -0.003 0.000 0.293 609 Y C 1.920 177.532 175.900 -0.480 0.000 1.124 609 Y CA 1.823 59.722 58.100 -0.336 0.000 1.178 609 Y CB -0.073 38.082 38.460 -0.508 0.000 1.010 609 Y HN 0.378 nan 8.280 nan 0.000 0.536 610 Y N -1.040 119.200 120.300 -0.101 0.000 2.396 610 Y HA 0.057 4.605 4.550 -0.003 0.000 0.292 610 Y C 1.951 177.796 175.900 -0.091 0.000 1.128 610 Y CA 0.655 58.655 58.100 -0.165 0.000 1.194 610 Y CB -0.076 38.241 38.460 -0.239 0.000 1.124 610 Y HN -0.020 nan 8.280 nan 0.000 0.543 611 Q N -0.242 119.639 119.800 0.135 0.000 2.319 611 Q HA 0.214 4.552 4.340 -0.003 0.000 0.202 611 Q C 1.434 177.467 176.000 0.055 0.000 0.896 611 Q CA 0.443 56.304 55.803 0.097 0.000 0.942 611 Q CB 0.642 29.461 28.738 0.134 0.000 1.083 611 Q HN 0.554 nan 8.270 nan 0.000 0.510 612 G N 1.427 110.240 108.800 0.022 0.000 2.200 612 G HA2 -0.380 3.578 3.960 -0.003 0.000 0.267 612 G HA3 -0.380 3.578 3.960 -0.003 0.000 0.267 612 G C 0.378 175.310 174.900 0.053 0.000 0.993 612 G CA 0.177 45.285 45.100 0.013 0.000 0.701 612 G HN 0.593 nan 8.290 nan 0.000 0.524 613 A N 1.080 123.949 122.820 0.083 0.000 2.584 613 A HA 0.478 4.796 4.320 -0.003 0.000 0.239 613 A C -0.314 177.330 177.584 0.101 0.000 1.043 613 A CA 0.251 52.346 52.037 0.096 0.000 0.756 613 A CB 0.154 19.227 19.000 0.122 0.000 0.963 613 A HN 0.473 nan 8.150 nan 0.000 0.511 614 P HA 0.103 nan 4.420 nan 0.000 0.269 614 P C -0.283 177.076 177.300 0.098 0.000 1.215 614 P CA -0.173 62.985 63.100 0.096 0.000 0.780 614 P CB 0.652 32.408 31.700 0.092 0.000 0.898 615 E N 1.145 121.407 120.200 0.103 0.000 2.331 615 E HA 0.138 4.486 4.350 -0.003 0.000 0.272 615 E C -0.323 176.294 176.600 0.028 0.000 1.036 615 E CA -0.579 55.856 56.400 0.058 0.000 0.864 615 E CB 0.588 30.360 29.700 0.120 0.000 1.035 615 E HN 0.259 nan 8.360 nan 0.000 0.408 616 K N 2.091 122.434 120.400 -0.095 0.000 2.234 616 K HA 0.415 4.733 4.320 -0.003 0.000 0.277 616 K C -0.115 176.464 176.600 -0.036 0.000 1.038 616 K CA -0.565 55.698 56.287 -0.041 0.000 0.888 616 K CB 1.803 34.258 32.500 -0.075 0.000 1.091 616 K HN 0.536 nan 8.250 nan 0.000 0.467 617 G N 0.768 109.580 108.800 0.020 0.000 3.108 617 G HA2 0.680 4.637 3.960 -0.003 0.000 0.268 617 G HA3 0.680 4.637 3.960 -0.003 0.000 0.268 617 G C -1.440 173.262 174.900 -0.330 0.000 1.361 617 G CA -0.576 44.401 45.100 -0.204 0.000 1.047 617 G HN 0.389 nan 8.290 nan 0.000 0.540 618 V N -0.475 119.099 119.914 -0.566 0.000 2.924 618 V HA 0.521 4.639 4.120 -0.003 0.000 0.300 618 V C -1.591 174.288 176.094 -0.358 0.000 1.227 618 V CA -0.807 61.297 62.300 -0.328 0.000 0.954 618 V CB 1.892 33.618 31.823 -0.161 0.000 1.055 618 V HN 0.808 nan 8.190 nan 0.000 0.429 619 L N 7.206 128.329 121.223 -0.166 0.000 2.315 619 L HA 0.578 4.915 4.340 -0.003 0.000 0.283 619 L C -0.658 176.204 176.870 -0.014 0.000 1.089 619 L CA 0.616 55.437 54.840 -0.031 0.000 0.833 619 L CB 0.471 42.598 42.059 0.114 0.000 1.170 619 L HN 0.638 nan 8.230 nan 0.000 0.442 620 L N 4.981 126.201 121.223 -0.005 0.000 2.330 620 L HA 0.596 4.934 4.340 -0.003 0.000 0.271 620 L C -0.315 176.567 176.870 0.021 0.000 1.013 620 L CA -0.847 53.995 54.840 0.003 0.000 0.816 620 L CB 1.766 43.824 42.059 -0.002 0.000 1.287 620 L HN 0.560 nan 8.230 nan 0.000 0.435 621 K N 1.469 121.887 120.400 0.030 0.000 2.397 621 K HA 0.367 4.685 4.320 -0.003 0.000 0.253 621 K C -1.908 174.737 176.600 0.076 0.000 0.932 621 K CA -0.582 55.732 56.287 0.044 0.000 0.795 621 K CB 1.808 34.324 32.500 0.027 0.000 1.159 621 K HN 0.479 nan 8.250 nan 0.000 0.424 622 Y N 3.562 123.828 120.300 -0.056 0.000 2.328 622 Y HA 0.248 4.796 4.550 -0.004 0.000 0.333 622 Y C -1.013 174.860 175.900 -0.045 0.000 0.958 622 Y CA -0.837 57.228 58.100 -0.057 0.000 1.167 622 Y CB 1.291 39.701 38.460 -0.082 0.000 1.151 622 Y HN 0.630 nan 8.280 nan 0.000 0.470 623 D N 5.977 126.104 120.400 -0.454 0.000 2.316 623 D HA 0.083 4.721 4.640 -0.003 0.000 0.245 623 D C 1.328 177.292 176.300 -0.561 0.000 1.171 623 D CA 0.115 53.907 54.000 -0.346 0.000 0.856 623 D CB 1.714 42.374 40.800 -0.234 0.000 1.090 623 D HN 0.667 nan 8.370 nan 0.000 0.476 624 V N 3.387 123.164 119.914 -0.227 0.000 2.332 624 V HA -0.200 3.918 4.120 -0.003 0.000 0.248 624 V C 2.118 178.145 176.094 -0.111 0.000 1.055 624 V CA 0.991 63.251 62.300 -0.067 0.000 1.038 624 V CB -0.484 31.392 31.823 0.088 0.000 0.651 624 V HN 0.347 nan 8.190 nan 0.000 0.450 625 K N 1.329 121.665 120.400 -0.108 0.000 1.973 625 K HA -0.097 4.221 4.320 -0.003 0.000 0.210 625 K C 2.547 179.081 176.600 -0.109 0.000 1.045 625 K CA 2.398 58.637 56.287 -0.079 0.000 0.937 625 K CB -1.118 31.347 32.500 -0.058 0.000 0.721 625 K HN 0.779 nan 8.250 nan 0.000 0.438 626 T N -1.607 112.857 114.554 -0.151 0.000 3.085 626 T HA 0.010 4.358 4.350 -0.003 0.000 0.263 626 T C 0.840 175.423 174.700 -0.195 0.000 1.127 626 T CA 0.236 62.249 62.100 -0.144 0.000 1.103 626 T CB -0.020 68.771 68.868 -0.129 0.000 0.921 626 T HN 0.256 nan 8.240 nan 0.000 0.510 627 R N 0.254 120.542 120.500 -0.353 0.000 3.847 627 R HA -0.139 4.199 4.340 -0.003 0.000 0.304 627 R C -0.025 176.080 176.300 -0.326 0.000 1.203 627 R CA 1.016 56.849 56.100 -0.445 0.000 0.835 627 R CB -1.457 28.785 30.300 -0.098 0.000 1.253 627 R HN 0.612 nan 8.270 nan 0.000 0.516 628 K N 0.947 121.158 120.400 -0.315 0.000 2.123 628 K HA 0.448 4.766 4.320 -0.003 0.000 0.259 628 K C -0.247 176.270 176.600 -0.138 0.000 0.960 628 K CA -0.523 55.672 56.287 -0.154 0.000 0.872 628 K CB 1.556 33.993 32.500 -0.105 0.000 1.079 628 K HN -0.078 nan 8.250 nan 0.000 0.440 629 V N 2.175 122.075 119.914 -0.024 0.000 2.732 629 V HA 0.476 4.594 4.120 -0.003 0.000 0.310 629 V C -0.103 175.992 176.094 0.003 0.000 1.053 629 V CA -0.507 61.807 62.300 0.023 0.000 0.957 629 V CB 1.734 33.607 31.823 0.083 0.000 1.018 629 V HN 1.104 nan 8.190 nan 0.000 0.452 630 T N -0.095 114.462 114.554 0.006 0.000 2.816 630 T HA 0.569 4.917 4.350 -0.003 0.000 0.299 630 T C -1.005 173.693 174.700 -0.003 0.000 1.230 630 T CA -0.803 61.294 62.100 -0.005 0.000 1.007 630 T CB 2.062 70.920 68.868 -0.016 0.000 1.289 630 T HN 0.624 nan 8.240 nan 0.000 0.508 631 E N 0.122 120.313 120.200 -0.014 0.000 2.156 631 E HA 0.532 4.880 4.350 -0.003 0.000 0.279 631 E C 0.058 176.639 176.600 -0.032 0.000 0.965 631 E CA -0.736 55.650 56.400 -0.024 0.000 0.789 631 E CB 1.455 31.135 29.700 -0.034 0.000 1.098 631 E HN 0.479 nan 8.360 nan 0.000 0.397 632 V N 3.751 123.650 119.914 -0.025 0.000 2.672 632 V HA 0.149 4.267 4.120 -0.003 0.000 0.242 632 V C 0.185 176.223 176.094 -0.094 0.000 1.059 632 V CA 0.648 62.930 62.300 -0.029 0.000 1.081 632 V CB 0.240 32.089 31.823 0.042 0.000 0.752 632 V HN 0.508 nan 8.190 nan 0.000 0.472 633 K N 0.837 121.189 120.400 -0.079 0.000 2.557 633 K HA 0.400 4.717 4.320 -0.003 0.000 0.257 633 K C -1.084 175.461 176.600 -0.091 0.000 0.933 633 K CA -0.389 55.819 56.287 -0.132 0.000 0.820 633 K CB 1.572 33.989 32.500 -0.139 0.000 1.330 633 K HN 0.335 nan 8.250 nan 0.000 0.432 634 N N 0.873 119.509 118.700 -0.107 0.000 2.906 634 N HA 0.435 5.173 4.740 -0.003 0.000 0.327 634 N C -0.841 174.625 175.510 -0.074 0.000 1.344 634 N CA -0.529 52.469 53.050 -0.087 0.000 0.823 634 N CB 0.142 38.581 38.487 -0.079 0.000 1.351 634 N HN 0.643 nan 8.380 nan 0.000 0.604 635 N N -1.922 116.744 118.700 -0.056 0.000 2.708 635 N HA -0.179 4.559 4.740 -0.003 0.000 0.249 635 N C -1.150 174.365 175.510 0.008 0.000 1.097 635 N CA 0.229 53.261 53.050 -0.031 0.000 0.710 635 N CB -1.260 37.198 38.487 -0.049 0.000 1.032 635 N HN 0.386 nan 8.380 nan 0.000 0.551 636 L N 0.184 121.429 121.223 0.037 0.000 2.350 636 L HA 0.278 4.616 4.340 -0.003 0.000 0.275 636 L C 1.696 178.689 176.870 0.205 0.000 1.099 636 L CA 0.127 55.054 54.840 0.145 0.000 0.808 636 L CB 1.141 43.340 42.059 0.233 0.000 1.149 636 L HN 0.245 nan 8.230 nan 0.000 0.442 637 T N -3.578 111.108 114.554 0.220 0.000 3.043 637 T HA 0.237 4.585 4.350 -0.003 0.000 0.272 637 T C -0.118 174.715 174.700 0.222 0.000 0.990 637 T CA -0.290 61.934 62.100 0.206 0.000 0.897 637 T CB 0.324 69.276 68.868 0.140 0.000 1.111 637 T HN 0.545 nan 8.240 nan 0.000 0.529 638 D N -0.271 120.282 120.400 0.255 0.000 2.751 638 D HA 0.439 5.077 4.640 -0.003 0.000 0.236 638 D C -2.067 174.389 176.300 0.260 0.000 1.196 638 D CA -0.528 53.598 54.000 0.211 0.000 0.741 638 D CB 1.761 42.747 40.800 0.310 0.000 1.474 638 D HN 0.288 nan 8.370 nan 0.000 0.452 639 L N 1.811 123.124 121.223 0.149 0.000 2.466 639 L HA 0.752 5.090 4.340 -0.003 0.000 0.258 639 L C -1.458 175.487 176.870 0.125 0.000 0.973 639 L CA -0.566 54.389 54.840 0.193 0.000 0.826 639 L CB 1.673 43.844 42.059 0.188 0.000 1.372 639 L HN 0.321 nan 8.230 nan 0.000 0.409 640 R N 3.193 123.793 120.500 0.166 0.000 2.795 640 R HA 0.697 5.035 4.340 -0.003 0.000 0.275 640 R C -1.808 174.528 176.300 0.060 0.000 0.981 640 R CA -0.824 55.325 56.100 0.082 0.000 0.917 640 R CB 2.227 32.579 30.300 0.086 0.000 1.202 640 R HN 0.574 nan 8.270 nan 0.000 0.469 641 L N -0.001 121.240 121.223 0.031 0.000 2.408 641 L HA 0.445 4.783 4.340 -0.003 0.000 0.268 641 L C 0.200 177.085 176.870 0.024 0.000 0.986 641 L CA -0.191 54.659 54.840 0.017 0.000 0.820 641 L CB 2.115 44.185 42.059 0.018 0.000 1.303 641 L HN 0.718 nan 8.230 nan 0.000 0.411 642 S N 2.593 118.305 115.700 0.019 0.000 2.580 642 S HA 0.291 4.759 4.470 -0.003 0.000 0.261 642 S C 1.373 175.995 174.600 0.037 0.000 1.366 642 S CA 0.488 58.707 58.200 0.032 0.000 0.996 642 S CB 0.895 64.110 63.200 0.025 0.000 0.902 642 S HN 0.920 nan 8.310 nan 0.000 0.566 643 A N 1.536 124.383 122.820 0.044 0.000 2.016 643 A HA 0.011 4.329 4.320 -0.003 0.000 0.217 643 A C 1.510 179.121 177.584 0.045 0.000 1.162 643 A CA 1.390 53.455 52.037 0.046 0.000 0.662 643 A CB -0.637 18.389 19.000 0.043 0.000 0.812 643 A HN 0.934 nan 8.150 nan 0.000 0.450 644 D N -1.557 118.867 120.400 0.039 0.000 2.340 644 D HA -0.045 4.593 4.640 -0.003 0.000 0.220 644 D C 0.777 177.097 176.300 0.033 0.000 1.039 644 D CA 0.106 54.128 54.000 0.037 0.000 0.866 644 D CB -0.510 40.310 40.800 0.034 0.000 0.913 644 D HN 0.412 nan 8.370 nan 0.000 0.523 645 R N -0.769 119.749 120.500 0.030 0.000 3.953 645 R HA -0.212 4.125 4.340 -0.003 0.000 0.340 645 R C 0.603 176.912 176.300 0.015 0.000 1.195 645 R CA 1.264 57.378 56.100 0.023 0.000 0.929 645 R CB -1.811 28.506 30.300 0.028 0.000 1.402 645 R HN 0.343 nan 8.270 nan 0.000 0.540 646 K N -0.458 119.950 120.400 0.013 0.000 2.370 646 K HA 0.100 4.418 4.320 -0.003 0.000 0.194 646 K C 0.264 176.858 176.600 -0.011 0.000 1.070 646 K CA 0.701 56.994 56.287 0.011 0.000 0.998 646 K CB 0.862 33.374 32.500 0.021 0.000 0.911 646 K HN 0.021 nan 8.250 nan 0.000 0.533 647 T N 1.547 116.086 114.554 -0.025 0.000 2.797 647 T HA 0.403 4.751 4.350 -0.003 0.000 0.279 647 T C -0.587 174.035 174.700 -0.130 0.000 0.991 647 T CA -0.614 61.447 62.100 -0.065 0.000 0.979 647 T CB 2.329 71.185 68.868 -0.020 0.000 0.943 647 T HN -0.267 nan 8.240 nan 0.000 0.444 648 V N 4.026 123.754 119.914 -0.310 0.000 2.555 648 V HA 0.594 4.712 4.120 -0.003 0.000 0.302 648 V C -0.278 175.596 176.094 -0.367 0.000 1.038 648 V CA -0.875 61.175 62.300 -0.418 0.000 0.887 648 V CB 1.804 33.140 31.823 -0.812 0.000 0.991 648 V HN 0.891 nan 8.190 nan 0.000 0.434 649 M N 6.018 125.562 119.600 -0.093 0.000 2.321 649 M HA 0.819 5.297 4.480 -0.003 0.000 0.315 649 M C -1.297 175.118 176.300 0.191 0.000 1.052 649 M CA -0.512 54.833 55.300 0.074 0.000 0.936 649 M CB 1.795 34.526 32.600 0.218 0.000 1.639 649 M HN 0.681 nan 8.290 nan 0.000 0.433 650 V N 1.522 121.546 119.914 0.183 0.000 3.188 650 V HA 0.760 4.878 4.120 -0.003 0.000 0.305 650 V C -1.636 174.510 176.094 0.087 0.000 1.232 650 V CA -1.043 61.393 62.300 0.225 0.000 1.043 650 V CB 2.147 34.163 31.823 0.322 0.000 1.068 650 V HN 1.015 nan 8.190 nan 0.000 0.439 651 R N 1.339 121.898 120.500 0.098 0.000 2.599 651 R HA 0.690 5.028 4.340 -0.003 0.000 0.295 651 R C -0.550 175.837 176.300 0.145 0.000 0.963 651 R CA -0.569 55.556 56.100 0.042 0.000 0.883 651 R CB 1.976 32.252 30.300 -0.040 0.000 1.171 651 R HN 0.927 nan 8.270 nan 0.000 0.450 652 K N 1.615 122.116 120.400 0.168 0.000 2.210 652 K HA 0.144 4.461 4.320 -0.003 0.000 0.236 652 K C 0.083 176.739 176.600 0.093 0.000 1.016 652 K CA -0.648 55.705 56.287 0.110 0.000 0.913 652 K CB 1.044 33.568 32.500 0.040 0.000 1.141 652 K HN 0.725 nan 8.250 nan 0.000 0.462 653 D N -0.018 120.419 120.400 0.061 0.000 2.411 653 D HA -0.185 4.453 4.640 -0.003 0.000 0.226 653 D C 0.654 176.984 176.300 0.050 0.000 0.988 653 D CA 0.875 54.906 54.000 0.052 0.000 0.938 653 D CB -0.124 40.696 40.800 0.033 0.000 0.883 653 D HN 0.528 nan 8.370 nan 0.000 0.525 654 D N -1.328 119.111 120.400 0.065 0.000 2.340 654 D HA 0.137 4.775 4.640 -0.003 0.000 0.217 654 D C 1.743 178.073 176.300 0.049 0.000 1.081 654 D CA 0.376 54.412 54.000 0.059 0.000 0.842 654 D CB -0.145 40.703 40.800 0.080 0.000 0.934 654 D HN 0.297 nan 8.370 nan 0.000 0.511 655 G N 0.666 109.495 108.800 0.049 0.000 2.304 655 G HA2 -0.334 3.624 3.960 -0.003 0.000 0.252 655 G HA3 -0.334 3.624 3.960 -0.003 0.000 0.252 655 G C 0.410 175.294 174.900 -0.026 0.000 1.014 655 G CA 0.419 45.527 45.100 0.013 0.000 0.619 655 G HN 0.469 nan 8.290 nan 0.000 0.525 656 K N 0.221 120.617 120.400 -0.007 0.000 2.180 656 K HA 0.594 4.912 4.320 -0.003 0.000 0.251 656 K C 0.329 176.812 176.600 -0.195 0.000 1.014 656 K CA -0.128 56.066 56.287 -0.155 0.000 0.913 656 K CB 0.864 33.213 32.500 -0.252 0.000 1.008 656 K HN 0.297 nan 8.250 nan 0.000 0.490 657 I N 1.992 122.304 120.570 -0.429 0.000 2.441 657 I HA 0.293 4.460 4.170 -0.003 0.000 0.295 657 I C -0.851 174.988 176.117 -0.462 0.000 0.994 657 I CA -0.804 60.263 61.300 -0.388 0.000 1.144 657 I CB 0.841 38.533 38.000 -0.512 0.000 1.314 657 I HN 0.436 nan 8.210 nan 0.000 0.445 658 Y N 2.408 122.659 120.300 -0.081 0.000 2.633 658 Y HA 0.634 5.182 4.550 -0.003 0.000 0.339 658 Y C 0.174 176.123 175.900 0.081 0.000 1.045 658 Y CA -0.978 57.141 58.100 0.032 0.000 1.098 658 Y CB 2.129 40.651 38.460 0.103 0.000 1.296 658 Y HN 0.348 nan 8.280 nan 0.000 0.494 659 T N 2.244 116.988 114.554 0.317 0.000 3.032 659 T HA 0.711 5.059 4.350 -0.003 0.000 0.312 659 T C -1.944 172.919 174.700 0.272 0.000 1.078 659 T CA -0.576 61.629 62.100 0.175 0.000 1.028 659 T CB 0.233 69.149 68.868 0.080 0.000 1.091 659 T HN 0.509 nan 8.240 nan 0.000 0.457 660 F N 2.198 122.202 119.950 0.090 0.000 2.654 660 F HA 0.808 5.334 4.527 -0.003 0.000 0.308 660 F C -3.300 172.537 175.800 0.061 0.000 1.108 660 F CA -2.782 55.259 58.000 0.069 0.000 0.957 660 F CB 0.384 39.417 39.000 0.056 0.000 1.309 660 F HN 0.252 nan 8.300 nan 0.000 0.446 661 P HA 0.132 nan 4.420 nan 0.000 0.271 661 P C 0.616 178.008 177.300 0.154 0.000 1.216 661 P CA -0.270 62.884 63.100 0.090 0.000 0.771 661 P CB 1.055 32.816 31.700 0.102 0.000 0.864 662 L N 4.598 125.859 121.223 0.064 0.000 2.131 662 L HA -0.188 4.150 4.340 -0.003 0.000 0.210 662 L C 1.956 178.901 176.870 0.125 0.000 1.092 662 L CA 1.865 56.771 54.840 0.109 0.000 0.759 662 L CB -1.149 40.937 42.059 0.046 0.000 0.903 662 L HN 0.464 nan 8.230 nan 0.000 0.435 663 E N -1.191 119.063 120.200 0.090 0.000 2.106 663 E HA -0.149 4.199 4.350 -0.003 0.000 0.192 663 E C 0.268 176.916 176.600 0.080 0.000 0.984 663 E CA 0.884 57.326 56.400 0.071 0.000 0.806 663 E CB -0.170 29.562 29.700 0.053 0.000 0.750 663 E HN 0.175 nan 8.360 nan 0.000 0.458 664 K N 1.372 121.835 120.400 0.105 0.000 2.762 664 K HA 0.194 4.512 4.320 -0.003 0.000 0.180 664 K C -2.117 174.569 176.600 0.143 0.000 1.067 664 K CA -2.054 54.289 56.287 0.094 0.000 0.973 664 K CB 1.559 34.102 32.500 0.073 0.000 1.290 664 K HN 0.077 nan 8.250 nan 0.000 0.604 665 P HA -0.169 nan 4.420 nan 0.000 0.229 665 P C 0.875 178.082 177.300 -0.155 0.000 1.150 665 P CA 0.950 64.118 63.100 0.114 0.000 0.765 665 P CB 0.498 32.218 31.700 0.034 0.000 0.783 666 E N 0.260 120.426 120.200 -0.057 0.000 2.285 666 E HA -0.072 4.276 4.350 -0.003 0.000 0.194 666 E C 0.147 176.726 176.600 -0.035 0.000 0.997 666 E CA 0.278 56.630 56.400 -0.080 0.000 0.845 666 E CB -0.088 29.587 29.700 -0.042 0.000 0.782 666 E HN 0.115 nan 8.360 nan 0.000 0.491 667 D N 2.581 123.003 120.400 0.036 0.000 2.631 667 D HA 0.026 4.664 4.640 -0.003 0.000 0.227 667 D C -0.628 175.759 176.300 0.145 0.000 1.146 667 D CA 0.132 54.178 54.000 0.077 0.000 1.009 667 D CB 0.085 40.935 40.800 0.084 0.000 1.057 667 D HN 0.394 nan 8.370 nan 0.000 0.509 668 E N 0.047 120.321 120.200 0.124 0.000 2.214 668 E HA 0.662 5.009 4.350 -0.003 0.000 0.274 668 E C -0.297 176.423 176.600 0.200 0.000 0.977 668 E CA -0.912 55.628 56.400 0.232 0.000 0.827 668 E CB 1.800 31.623 29.700 0.204 0.000 1.130 668 E HN -0.060 nan 8.360 nan 0.000 0.394 669 R N 0.597 121.226 120.500 0.215 0.000 2.873 669 R HA 0.461 4.799 4.340 -0.003 0.000 0.264 669 R C -0.755 175.619 176.300 0.122 0.000 1.026 669 R CA -0.748 55.438 56.100 0.142 0.000 1.002 669 R CB 1.978 32.329 30.300 0.085 0.000 1.174 669 R HN 0.501 nan 8.270 nan 0.000 0.488 670 T N 0.849 115.397 114.554 -0.009 0.000 2.799 670 T HA 0.267 4.615 4.350 -0.003 0.000 0.286 670 T C -0.331 174.250 174.700 -0.198 0.000 0.973 670 T CA -0.627 61.325 62.100 -0.247 0.000 1.035 670 T CB 1.137 69.832 68.868 -0.287 0.000 0.932 670 T HN 0.133 nan 8.240 nan 0.000 0.469 671 V N 4.789 124.546 119.914 -0.262 0.000 2.372 671 V HA 0.182 4.299 4.120 -0.003 0.000 0.261 671 V C 0.492 176.449 176.094 -0.228 0.000 1.055 671 V CA -0.413 61.772 62.300 -0.192 0.000 0.930 671 V CB 0.198 31.908 31.823 -0.188 0.000 1.031 671 V HN 0.748 nan 8.190 nan 0.000 0.479 672 E N 3.216 123.313 120.200 -0.172 0.000 2.266 672 E HA 0.406 4.754 4.350 -0.003 0.000 0.277 672 E C 0.799 177.281 176.600 -0.197 0.000 1.018 672 E CA 0.038 56.330 56.400 -0.179 0.000 0.840 672 E CB 2.035 31.657 29.700 -0.129 0.000 1.082 672 E HN 0.809 nan 8.360 nan 0.000 0.395 673 T N -2.294 112.114 114.554 -0.243 0.000 3.009 673 T HA 0.076 4.424 4.350 -0.003 0.000 0.267 673 T C 0.337 174.921 174.700 -0.195 0.000 0.942 673 T CA -0.336 61.591 62.100 -0.288 0.000 0.883 673 T CB 0.151 68.662 68.868 -0.595 0.000 1.192 673 T HN 0.081 nan 8.240 nan 0.000 0.524 674 D N 1.741 122.047 120.400 -0.157 0.000 2.323 674 D HA 0.175 4.813 4.640 -0.003 0.000 0.239 674 D C 1.560 177.807 176.300 -0.088 0.000 1.129 674 D CA 0.054 53.989 54.000 -0.109 0.000 0.865 674 D CB 0.295 41.038 40.800 -0.095 0.000 0.913 674 D HN 0.263 nan 8.370 nan 0.000 0.517 675 K N 0.272 120.615 120.400 -0.094 0.000 2.021 675 K HA 0.018 4.336 4.320 -0.003 0.000 0.205 675 K C 1.154 177.712 176.600 -0.071 0.000 1.047 675 K CA 0.374 56.613 56.287 -0.080 0.000 0.943 675 K CB 0.244 32.693 32.500 -0.086 0.000 0.725 675 K HN 0.079 nan 8.250 nan 0.000 0.439 676 R N 2.150 122.602 120.500 -0.080 0.000 2.229 676 R HA 0.199 4.537 4.340 -0.003 0.000 0.328 676 R C -2.424 173.833 176.300 -0.072 0.000 1.009 676 R CA -1.849 54.209 56.100 -0.071 0.000 0.864 676 R CB 0.814 31.069 30.300 -0.076 0.000 1.085 676 R HN -0.096 nan 8.270 nan 0.000 0.453 677 P HA -0.060 nan 4.420 nan 0.000 0.266 677 P C -0.883 176.408 177.300 -0.016 0.000 1.195 677 P CA -0.327 62.760 63.100 -0.022 0.000 0.768 677 P CB 0.460 32.155 31.700 -0.009 0.000 0.838 678 L N 4.629 125.856 121.223 0.006 0.000 2.290 678 L HA 0.274 4.612 4.340 -0.003 0.000 0.284 678 L C -0.737 176.155 176.870 0.037 0.000 1.078 678 L CA -0.081 54.781 54.840 0.037 0.000 0.815 678 L CB 0.810 42.914 42.059 0.075 0.000 1.162 678 L HN 0.074 nan 8.230 nan 0.000 0.435 679 V N 4.457 124.401 119.914 0.049 0.000 2.459 679 V HA 0.863 4.981 4.120 -0.003 0.000 0.295 679 V C -0.111 175.978 176.094 -0.009 0.000 1.029 679 V CA -0.234 62.075 62.300 0.015 0.000 0.874 679 V CB 1.465 33.298 31.823 0.017 0.000 0.985 679 V HN 0.953 nan 8.190 nan 0.000 0.438 680 S N 2.179 117.854 115.700 -0.042 0.000 2.656 680 S HA 0.711 5.179 4.470 -0.003 0.000 0.273 680 S C -0.752 173.793 174.600 -0.092 0.000 1.168 680 S CA -0.623 57.532 58.200 -0.075 0.000 0.817 680 S CB 1.911 65.049 63.200 -0.103 0.000 1.146 680 S HN 0.915 nan 8.310 nan 0.000 0.475 681 S N 0.001 115.624 115.700 -0.129 0.000 2.498 681 S HA 0.511 4.979 4.470 -0.003 0.000 0.317 681 S C 0.989 175.454 174.600 -0.224 0.000 1.090 681 S CA -1.006 57.109 58.200 -0.141 0.000 1.089 681 S CB -0.113 62.981 63.200 -0.177 0.000 0.997 681 S HN 0.646 nan 8.310 nan 0.000 0.470 682 I N 4.199 124.625 120.570 -0.241 0.000 2.151 682 I HA -0.239 3.929 4.170 -0.003 0.000 0.243 682 I C 2.606 178.407 176.117 -0.527 0.000 1.080 682 I CA 1.731 62.717 61.300 -0.524 0.000 1.339 682 I CB -0.567 37.085 38.000 -0.579 0.000 1.039 682 I HN 0.849 nan 8.210 nan 0.000 0.409 683 H N 1.676 120.561 119.070 -0.309 0.000 2.457 683 H HA -0.149 4.405 4.556 -0.003 0.000 0.294 683 H C 1.798 177.100 175.328 -0.044 0.000 1.064 683 H CA 1.618 57.586 56.048 -0.135 0.000 1.330 683 H CB -0.565 29.156 29.762 -0.068 0.000 1.395 683 H HN 0.647 nan 8.280 nan 0.000 0.541 684 E N 1.216 121.059 120.200 -0.596 0.000 2.076 684 E HA -0.124 4.224 4.350 -0.003 0.000 0.190 684 E C 1.830 178.344 176.600 -0.143 0.000 0.979 684 E CA 0.681 56.843 56.400 -0.396 0.000 0.807 684 E CB -0.154 29.300 29.700 -0.409 0.000 0.761 684 E HN 0.562 nan 8.360 nan 0.000 0.454 685 E N -0.104 120.016 120.200 -0.133 0.000 2.072 685 E HA -0.108 4.240 4.350 -0.003 0.000 0.191 685 E C 1.813 178.515 176.600 0.169 0.000 0.985 685 E CA 0.820 57.207 56.400 -0.021 0.000 0.801 685 E CB -0.121 29.536 29.700 -0.072 0.000 0.750 685 E HN 0.233 nan 8.360 nan 0.000 0.452 686 F N 1.013 120.947 119.950 -0.027 0.000 2.161 686 F HA -0.180 4.345 4.527 -0.004 0.000 0.300 686 F C 2.137 177.974 175.800 0.061 0.000 1.089 686 F CA 0.976 58.984 58.000 0.014 0.000 1.282 686 F CB -0.771 38.240 39.000 0.018 0.000 1.010 686 F HN 0.046 nan 8.300 nan 0.000 0.485 687 L N -0.738 120.629 121.223 0.241 0.000 2.027 687 L HA -0.208 4.130 4.340 -0.003 0.000 0.206 687 L C 2.675 179.660 176.870 0.191 0.000 1.074 687 L CA 1.274 56.227 54.840 0.189 0.000 0.745 687 L CB -0.707 41.425 42.059 0.120 0.000 0.898 687 L HN 0.122 nan 8.230 nan 0.000 0.433 688 Q N 0.456 120.332 119.800 0.126 0.000 2.061 688 Q HA -0.250 4.088 4.340 -0.003 0.000 0.204 688 Q C 2.183 178.245 176.000 0.104 0.000 0.984 688 Q CA 2.049 57.908 55.803 0.092 0.000 0.846 688 Q CB -0.206 28.553 28.738 0.035 0.000 0.902 688 Q HN 0.497 nan 8.270 nan 0.000 0.421 689 M N -0.896 118.775 119.600 0.118 0.000 2.159 689 M HA -0.193 4.285 4.480 -0.003 0.000 0.263 689 M C 2.074 178.438 176.300 0.106 0.000 1.063 689 M CA 1.587 56.944 55.300 0.094 0.000 1.110 689 M CB -0.541 32.113 32.600 0.090 0.000 1.374 689 M HN 0.203 nan 8.290 nan 0.000 0.411 690 Y N 1.608 121.942 120.300 0.057 0.000 2.133 690 Y HA -0.254 4.293 4.550 -0.003 0.000 0.287 690 Y C 1.888 177.880 175.900 0.154 0.000 1.134 690 Y CA 1.859 59.998 58.100 0.065 0.000 1.133 690 Y CB -0.436 38.035 38.460 0.018 0.000 0.987 690 Y HN 0.194 nan 8.280 nan 0.000 0.502 691 D N 0.262 120.687 120.400 0.041 0.000 2.123 691 D HA -0.206 4.432 4.640 -0.003 0.000 0.196 691 D C 2.066 178.452 176.300 0.142 0.000 0.992 691 D CA 1.755 55.813 54.000 0.097 0.000 0.833 691 D CB -0.317 40.606 40.800 0.204 0.000 0.954 691 D HN 0.615 nan 8.370 nan 0.000 0.455 692 E N 0.089 120.338 120.200 0.082 0.000 2.047 692 E HA -0.111 4.237 4.350 -0.003 0.000 0.191 692 E C 2.021 178.640 176.600 0.032 0.000 0.987 692 E CA 0.950 57.388 56.400 0.064 0.000 0.799 692 E CB 0.006 29.725 29.700 0.032 0.000 0.752 692 E HN 0.183 nan 8.360 nan 0.000 0.449 693 A N 0.396 123.212 122.820 -0.005 0.000 1.933 693 A HA -0.201 4.116 4.320 -0.003 0.000 0.218 693 A C 1.877 179.430 177.584 -0.050 0.000 1.175 693 A CA 1.429 53.445 52.037 -0.035 0.000 0.628 693 A CB -1.112 17.867 19.000 -0.035 0.000 0.814 693 A HN 0.676 nan 8.150 nan 0.000 0.444 694 W N 0.647 121.778 121.300 -0.282 0.000 2.388 694 W HA -0.107 4.551 4.660 -0.003 0.000 0.294 694 W C 2.123 178.608 176.519 -0.058 0.000 1.212 694 W CA 1.874 59.092 57.345 -0.212 0.000 1.271 694 W CB 0.052 29.305 29.460 -0.345 0.000 1.126 694 W HN 0.276 nan 8.180 nan 0.000 0.535 695 K N 0.024 120.469 120.400 0.075 0.000 2.031 695 K HA -0.131 4.187 4.320 -0.003 0.000 0.205 695 K C 2.064 178.561 176.600 -0.172 0.000 1.049 695 K CA 1.679 57.919 56.287 -0.079 0.000 0.939 695 K CB -0.485 32.088 32.500 0.122 0.000 0.717 695 K HN 0.203 nan 8.250 nan 0.000 0.438 696 L N 0.666 121.827 121.223 -0.103 0.000 2.017 696 L HA -0.170 4.168 4.340 -0.003 0.000 0.208 696 L C 2.602 179.354 176.870 -0.197 0.000 1.073 696 L CA 1.408 56.187 54.840 -0.102 0.000 0.745 696 L CB -0.603 41.425 42.059 -0.051 0.000 0.894 696 L HN 0.269 nan 8.230 nan 0.000 0.432 697 A N -0.170 122.487 122.820 -0.272 0.000 1.948 697 A HA -0.269 4.049 4.320 -0.003 0.000 0.220 697 A C 2.482 179.760 177.584 -0.511 0.000 1.177 697 A CA 2.065 53.825 52.037 -0.463 0.000 0.636 697 A CB -0.596 18.100 19.000 -0.506 0.000 0.815 697 A HN 0.379 nan 8.150 nan 0.000 0.449 698 R N -0.741 119.513 120.500 -0.410 0.000 2.062 698 R HA -0.104 4.234 4.340 -0.003 0.000 0.226 698 R C 1.260 177.439 176.300 -0.202 0.000 1.125 698 R CA 1.465 57.383 56.100 -0.303 0.000 0.966 698 R CB -0.296 29.686 30.300 -0.531 0.000 0.861 698 R HN 0.390 nan 8.270 nan 0.000 0.433 699 D N 0.446 120.725 120.400 -0.202 0.000 2.263 699 D HA -0.100 4.538 4.640 -0.003 0.000 0.208 699 D C 0.850 177.067 176.300 -0.138 0.000 0.971 699 D CA 0.932 54.846 54.000 -0.143 0.000 0.867 699 D CB -0.085 40.654 40.800 -0.102 0.000 0.929 699 D HN 0.261 nan 8.370 nan 0.000 0.492 700 N N -0.657 117.956 118.700 -0.146 0.000 2.254 700 N HA -0.066 4.672 4.740 -0.003 0.000 0.190 700 N C 0.134 175.544 175.510 -0.166 0.000 1.107 700 N CA -0.245 52.711 53.050 -0.158 0.000 0.869 700 N CB 0.098 38.506 38.487 -0.131 0.000 0.983 700 N HN 0.177 nan 8.380 nan 0.000 0.487 701 Y N 2.910 123.051 120.300 -0.264 0.000 2.811 701 Y HA -0.154 4.394 4.550 -0.003 0.000 0.334 701 Y C 1.751 177.527 175.900 -0.208 0.000 1.247 701 Y CA -0.600 57.370 58.100 -0.217 0.000 1.526 701 Y CB 0.414 38.763 38.460 -0.185 0.000 1.284 701 Y HN 0.202 nan 8.280 nan 0.000 0.586 702 W N 4.966 125.711 121.300 -0.925 0.000 2.342 702 W HA -0.228 4.430 4.660 -0.003 0.000 0.297 702 W C -0.515 175.700 176.519 -0.507 0.000 1.213 702 W CA 1.211 58.144 57.345 -0.685 0.000 1.251 702 W CB -0.658 28.413 29.460 -0.648 0.000 1.136 702 W HN 0.622 nan 8.180 nan 0.000 0.526 703 N N 1.708 119.300 118.700 -1.846 0.000 2.501 703 N HA 0.016 4.754 4.740 -0.003 0.000 0.245 703 N C 0.931 176.127 175.510 -0.523 0.000 0.974 703 N CA -0.076 52.154 53.050 -1.367 0.000 0.941 703 N CB 1.133 38.513 38.487 -1.846 0.000 1.122 703 N HN 0.049 nan 8.380 nan 0.000 0.507 704 E N 3.395 123.368 120.200 -0.377 0.000 2.085 704 E HA -0.246 4.102 4.350 -0.003 0.000 0.194 704 E C 1.645 178.150 176.600 -0.159 0.000 0.994 704 E CA 1.438 57.711 56.400 -0.212 0.000 0.801 704 E CB 0.042 29.628 29.700 -0.190 0.000 0.743 704 E HN 0.786 nan 8.360 nan 0.000 0.453 705 A N 0.541 123.248 122.820 -0.189 0.000 1.851 705 A HA -0.193 4.124 4.320 -0.003 0.000 0.216 705 A C 2.432 179.951 177.584 -0.108 0.000 1.195 705 A CA 1.827 53.782 52.037 -0.136 0.000 0.622 705 A CB -0.990 17.925 19.000 -0.142 0.000 0.831 705 A HN 0.226 nan 8.150 nan 0.000 0.444 706 V N -0.007 119.838 119.914 -0.115 0.000 2.453 706 V HA -0.290 3.828 4.120 -0.003 0.000 0.252 706 V C 2.991 179.018 176.094 -0.111 0.000 1.068 706 V CA 1.999 64.249 62.300 -0.083 0.000 1.070 706 V CB -1.370 30.455 31.823 0.002 0.000 0.664 706 V HN 0.660 nan 8.190 nan 0.000 0.461 707 A N -0.106 122.693 122.820 -0.034 0.000 1.858 707 A HA -0.273 4.045 4.320 -0.003 0.000 0.216 707 A C 2.348 179.885 177.584 -0.079 0.000 1.190 707 A CA 2.163 54.191 52.037 -0.014 0.000 0.617 707 A CB -0.530 18.494 19.000 0.040 0.000 0.827 707 A HN 0.515 nan 8.150 nan 0.000 0.443 708 K N -0.712 119.645 120.400 -0.072 0.000 2.113 708 K HA -0.218 4.100 4.320 -0.003 0.000 0.208 708 K C 2.114 178.692 176.600 -0.036 0.000 1.047 708 K CA 1.701 57.957 56.287 -0.052 0.000 0.928 708 K CB -0.072 32.400 32.500 -0.047 0.000 0.716 708 K HN 0.518 nan 8.250 nan 0.000 0.446 709 E N 0.825 120.989 120.200 -0.060 0.000 2.033 709 E HA -0.108 4.240 4.350 -0.003 0.000 0.189 709 E C 2.073 178.630 176.600 -0.071 0.000 0.979 709 E CA 0.974 57.344 56.400 -0.049 0.000 0.802 709 E CB -0.098 29.569 29.700 -0.055 0.000 0.763 709 E HN 0.348 nan 8.360 nan 0.000 0.449 710 I N 1.621 122.081 120.570 -0.184 0.000 2.163 710 I HA -0.319 3.849 4.170 -0.003 0.000 0.243 710 I C 2.741 178.746 176.117 -0.187 0.000 1.085 710 I CA 1.454 62.570 61.300 -0.307 0.000 1.347 710 I CB -0.564 36.979 38.000 -0.762 0.000 1.044 710 I HN 0.133 nan 8.210 nan 0.000 0.408 711 S N 1.072 116.679 115.700 -0.154 0.000 2.365 711 S HA -0.286 4.182 4.470 -0.003 0.000 0.221 711 S C 1.804 176.669 174.600 0.440 0.000 1.037 711 S CA 1.621 59.858 58.200 0.062 0.000 1.060 711 S CB -0.937 62.137 63.200 -0.209 0.000 0.974 711 S HN 0.484 nan 8.310 nan 0.000 0.427 712 E N 0.853 121.232 120.200 0.298 0.000 2.273 712 E HA -0.140 4.207 4.350 -0.003 0.000 0.198 712 E C 2.266 179.004 176.600 0.231 0.000 1.002 712 E CA 0.918 57.489 56.400 0.285 0.000 0.828 712 E CB -0.171 29.618 29.700 0.150 0.000 0.747 712 E HN 0.564 nan 8.360 nan 0.000 0.491 713 R N 0.965 121.574 120.500 0.182 0.000 2.280 713 R HA 0.035 4.373 4.340 -0.003 0.000 0.195 713 R C 1.970 178.389 176.300 0.199 0.000 0.935 713 R CA 0.370 56.556 56.100 0.144 0.000 1.033 713 R CB 0.234 30.580 30.300 0.076 0.000 0.964 713 R HN 0.288 nan 8.270 nan 0.000 0.489 714 I N -3.572 117.183 120.570 0.309 0.000 4.181 714 I HA 0.134 4.302 4.170 -0.003 0.000 0.331 714 I C 1.587 178.016 176.117 0.519 0.000 1.312 714 I CA -0.410 61.135 61.300 0.408 0.000 1.146 714 I CB -0.316 37.929 38.000 0.409 0.000 1.074 714 I HN -0.094 nan 8.210 nan 0.000 0.402 715 Y N 2.923 123.468 120.300 0.407 0.000 1.974 715 Y HA -0.368 4.180 4.550 -0.004 0.000 0.255 715 Y C 2.731 178.700 175.900 0.114 0.000 1.125 715 Y CA 2.719 60.893 58.100 0.124 0.000 1.085 715 Y CB -0.363 37.921 38.460 -0.294 0.000 0.957 715 Y HN 0.289 nan 8.280 nan 0.000 0.484 716 E N 0.591 120.874 120.200 0.138 0.000 2.086 716 E HA -0.385 3.963 4.350 -0.003 0.000 0.200 716 E C 2.355 178.916 176.600 -0.066 0.000 1.012 716 E CA 2.090 58.490 56.400 -0.000 0.000 0.812 716 E CB -0.425 29.346 29.700 0.118 0.000 0.743 716 E HN 0.559 nan 8.360 nan 0.000 0.453 717 K N -0.591 119.799 120.400 -0.016 0.000 2.089 717 K HA -0.226 4.092 4.320 -0.003 0.000 0.210 717 K C 1.821 178.320 176.600 -0.168 0.000 1.048 717 K CA 2.037 58.246 56.287 -0.130 0.000 0.926 717 K CB -0.282 32.077 32.500 -0.235 0.000 0.714 717 K HN 0.269 nan 8.250 nan 0.000 0.448 718 Y N -0.336 119.986 120.300 0.036 0.000 2.510 718 Y HA 0.133 4.681 4.550 -0.003 0.000 0.273 718 Y C 2.346 177.969 175.900 -0.461 0.000 1.119 718 Y CA 0.244 58.327 58.100 -0.028 0.000 1.286 718 Y CB 0.221 38.768 38.460 0.144 0.000 1.061 718 Y HN 0.041 nan 8.280 nan 0.000 0.542 719 R N 0.731 120.931 120.500 -0.500 0.000 2.115 719 R HA -0.118 4.220 4.340 -0.003 0.000 0.230 719 R C 1.033 177.090 176.300 -0.404 0.000 1.111 719 R CA 1.194 56.815 56.100 -0.799 0.000 0.976 719 R CB -0.038 29.837 30.300 -0.709 0.000 0.870 719 R HN 0.300 nan 8.270 nan 0.000 0.445 720 N N 0.670 119.234 118.700 -0.227 0.000 2.550 720 N HA -0.094 4.644 4.740 -0.003 0.000 0.186 720 N C 1.389 176.828 175.510 -0.119 0.000 1.110 720 N CA 0.704 53.679 53.050 -0.125 0.000 0.912 720 N CB 0.116 38.571 38.487 -0.054 0.000 0.968 720 N HN 0.340 nan 8.380 nan 0.000 0.448 721 L N -0.369 120.760 121.223 -0.157 0.000 2.416 721 L HA 0.082 4.420 4.340 -0.003 0.000 0.216 721 L C 1.955 178.752 176.870 -0.122 0.000 1.098 721 L CA 0.121 54.879 54.840 -0.136 0.000 0.840 721 L CB -0.084 41.898 42.059 -0.130 0.000 0.981 721 L HN -0.118 nan 8.230 nan 0.000 0.462 722 V N 1.242 121.049 119.914 -0.178 0.000 2.252 722 V HA -0.205 3.913 4.120 -0.003 0.000 0.249 722 V C -0.180 175.927 176.094 0.021 0.000 1.056 722 V CA 2.227 64.462 62.300 -0.107 0.000 1.022 722 V CB -1.854 29.870 31.823 -0.164 0.000 0.641 722 V HN 0.389 nan 8.190 nan 0.000 0.445 723 P HA -0.114 nan 4.420 nan 0.000 0.228 723 P C 1.488 178.803 177.300 0.025 0.000 1.151 723 P CA 1.310 64.431 63.100 0.035 0.000 0.770 723 P CB -0.074 31.628 31.700 0.002 0.000 0.786 724 L N -1.503 119.723 121.223 0.004 0.000 2.529 724 L HA 0.094 4.432 4.340 -0.003 0.000 0.223 724 L C 1.132 178.026 176.870 0.040 0.000 1.113 724 L CA -0.014 54.824 54.840 -0.003 0.000 0.861 724 L CB -0.471 41.562 42.059 -0.044 0.000 1.012 724 L HN -0.087 nan 8.230 nan 0.000 0.461 725 C N 0.749 120.102 119.300 0.090 0.000 2.527 725 C HA 0.198 4.656 4.460 -0.003 0.000 0.396 725 C C 1.450 176.636 174.990 0.328 0.000 1.289 725 C CA -0.412 58.705 59.018 0.164 0.000 2.047 725 C CB 0.908 28.692 27.740 0.073 0.000 2.568 725 C HN 0.302 nan 8.230 nan 0.000 0.573 726 K N 0.262 120.846 120.400 0.307 0.000 2.474 726 K HA 0.136 4.453 4.320 -0.003 0.000 0.204 726 K C 0.846 177.643 176.600 0.328 0.000 1.220 726 K CA 0.416 56.857 56.287 0.258 0.000 0.966 726 K CB 0.368 32.954 32.500 0.143 0.000 1.049 726 K HN 0.884 nan 8.250 nan 0.000 0.554 727 T N -2.759 112.028 114.554 0.389 0.000 2.916 727 T HA 0.405 4.752 4.350 -0.003 0.000 0.292 727 T C 0.771 175.658 174.700 0.312 0.000 1.055 727 T CA -0.837 61.476 62.100 0.355 0.000 1.009 727 T CB 2.187 71.212 68.868 0.262 0.000 1.118 727 T HN -0.151 nan 8.240 nan 0.000 0.497 728 R N 0.030 120.653 120.500 0.206 0.000 2.159 728 R HA -0.099 4.239 4.340 -0.003 0.000 0.237 728 R C 1.707 177.931 176.300 -0.128 0.000 1.131 728 R CA 1.581 57.577 56.100 -0.174 0.000 0.982 728 R CB -1.421 28.561 30.300 -0.529 0.000 0.868 728 R HN 0.796 nan 8.270 nan 0.000 0.453 729 Y N 0.774 121.136 120.300 0.102 0.000 2.314 729 Y HA -0.109 4.439 4.550 -0.003 0.000 0.293 729 Y C 1.389 177.365 175.900 0.127 0.000 1.129 729 Y CA 1.793 60.073 58.100 0.301 0.000 1.201 729 Y CB -0.091 38.545 38.460 0.293 0.000 0.999 729 Y HN 0.140 nan 8.280 nan 0.000 0.541 730 D N 0.146 120.559 120.400 0.021 0.000 2.097 730 D HA -0.216 4.422 4.640 -0.003 0.000 0.195 730 D C 2.410 178.591 176.300 -0.199 0.000 0.989 730 D CA 1.244 55.194 54.000 -0.083 0.000 0.827 730 D CB -0.561 40.253 40.800 0.024 0.000 0.966 730 D HN 0.371 nan 8.370 nan 0.000 0.456 731 L N 0.559 121.574 121.223 -0.347 0.000 2.042 731 L HA -0.207 4.131 4.340 -0.003 0.000 0.210 731 L C 2.466 179.218 176.870 -0.196 0.000 1.076 731 L CA 1.082 55.666 54.840 -0.428 0.000 0.749 731 L CB -0.251 41.307 42.059 -0.835 0.000 0.893 731 L HN 0.017 nan 8.230 nan 0.000 0.432 732 S N 0.127 115.752 115.700 -0.125 0.000 2.353 732 S HA -0.248 4.220 4.470 -0.003 0.000 0.222 732 S C 1.585 176.138 174.600 -0.079 0.000 1.035 732 S CA 2.158 60.354 58.200 -0.007 0.000 1.025 732 S CB -0.256 63.051 63.200 0.179 0.000 0.902 732 S HN 0.520 nan 8.310 nan 0.000 0.440 733 N N 0.371 118.955 118.700 -0.194 0.000 2.061 733 N HA -0.106 4.632 4.740 -0.003 0.000 0.193 733 N C 1.652 177.144 175.510 -0.031 0.000 1.030 733 N CA 1.675 54.641 53.050 -0.140 0.000 0.856 733 N CB -0.452 37.922 38.487 -0.188 0.000 1.023 733 N HN 0.252 nan 8.380 nan 0.000 0.424 734 V N 0.948 120.848 119.914 -0.023 0.000 2.270 734 V HA -0.183 3.935 4.120 -0.003 0.000 0.245 734 V C 2.102 178.232 176.094 0.061 0.000 1.043 734 V CA 1.416 63.757 62.300 0.069 0.000 1.014 734 V CB -0.542 31.296 31.823 0.024 0.000 0.645 734 V HN 0.296 nan 8.190 nan 0.000 0.447 735 I N -0.119 120.490 120.570 0.066 0.000 2.163 735 I HA -0.247 3.921 4.170 -0.003 0.000 0.243 735 I C 2.420 178.543 176.117 0.009 0.000 1.085 735 I CA 1.491 62.840 61.300 0.081 0.000 1.347 735 I CB -0.462 37.581 38.000 0.073 0.000 1.044 735 I HN 0.155 nan 8.210 nan 0.000 0.408 736 V N 0.524 120.447 119.914 0.014 0.000 2.332 736 V HA -0.254 3.864 4.120 -0.003 0.000 0.248 736 V C 2.479 178.569 176.094 -0.006 0.000 1.055 736 V CA 1.754 64.073 62.300 0.033 0.000 1.038 736 V CB -0.662 31.197 31.823 0.061 0.000 0.651 736 V HN 0.412 nan 8.190 nan 0.000 0.450 737 E N 0.128 120.294 120.200 -0.056 0.000 2.153 737 E HA -0.261 4.087 4.350 -0.003 0.000 0.194 737 E C 2.158 178.497 176.600 -0.434 0.000 0.988 737 E CA 1.904 58.228 56.400 -0.126 0.000 0.811 737 E CB -0.324 29.416 29.700 0.066 0.000 0.746 737 E HN 0.767 nan 8.360 nan 0.000 0.466 738 M N 0.082 119.307 119.600 -0.625 0.000 2.349 738 M HA -0.061 4.416 4.480 -0.003 0.000 0.266 738 M C 1.714 177.942 176.300 -0.121 0.000 1.076 738 M CA 1.480 56.392 55.300 -0.645 0.000 1.126 738 M CB -0.120 32.254 32.600 -0.378 0.000 1.392 738 M HN -0.131 nan 8.290 nan 0.000 0.440 739 Q N 0.583 120.360 119.800 -0.038 0.000 2.123 739 Q HA 0.061 4.398 4.340 -0.003 0.000 0.199 739 Q C 2.182 178.251 176.000 0.115 0.000 0.966 739 Q CA 1.270 57.112 55.803 0.065 0.000 0.845 739 Q CB -0.601 28.154 28.738 0.028 0.000 0.907 739 Q HN 0.781 nan 8.270 nan 0.000 0.439 740 G N 1.303 110.129 108.800 0.043 0.000 2.470 740 G HA2 -0.228 3.730 3.960 -0.003 0.000 0.220 740 G HA3 -0.228 3.730 3.960 -0.003 0.000 0.220 740 G C 1.167 176.088 174.900 0.036 0.000 1.121 740 G CA 0.339 45.465 45.100 0.043 0.000 0.766 740 G HN 0.184 nan 8.290 nan 0.000 0.553 741 E N 0.002 120.205 120.200 0.006 0.000 2.401 741 E HA -0.091 4.256 4.350 -0.003 0.000 0.199 741 E C 1.197 177.701 176.600 -0.160 0.000 1.023 741 E CA 0.491 56.868 56.400 -0.038 0.000 0.859 741 E CB -0.176 29.500 29.700 -0.039 0.000 0.780 741 E HN 0.676 nan 8.360 nan 0.000 0.523 742 Y N 0.291 120.523 120.300 -0.114 0.000 2.490 742 Y HA 0.142 4.690 4.550 -0.003 0.000 0.281 742 Y C 0.567 176.409 175.900 -0.096 0.000 1.174 742 Y CA -0.073 57.888 58.100 -0.231 0.000 1.295 742 Y CB 0.081 38.312 38.460 -0.381 0.000 1.062 742 Y HN -0.120 nan 8.280 nan 0.000 0.522 743 R N 0.524 121.100 120.500 0.127 0.000 3.387 743 R HA -0.176 4.162 4.340 -0.003 0.000 0.254 743 R C -0.631 175.802 176.300 0.222 0.000 1.006 743 R CA 1.010 57.273 56.100 0.271 0.000 0.677 743 R CB -2.433 28.021 30.300 0.257 0.000 1.063 743 R HN 0.131 nan 8.270 nan 0.000 0.453 744 T N -1.430 113.019 114.554 -0.176 0.000 2.865 744 T HA 0.467 4.815 4.350 -0.003 0.000 0.294 744 T C 0.149 174.084 174.700 -1.275 0.000 1.119 744 T CA -0.458 61.386 62.100 -0.426 0.000 1.007 744 T CB 1.908 70.824 68.868 0.079 0.000 1.225 744 T HN 0.214 nan 8.240 nan 0.000 0.515 745 S N -0.181 114.716 115.700 -1.339 0.000 2.645 745 S HA 0.402 4.870 4.470 -0.003 0.000 0.266 745 S C 0.027 174.379 174.600 -0.414 0.000 1.258 745 S CA -0.196 57.226 58.200 -1.297 0.000 0.990 745 S CB -0.126 62.426 63.200 -1.079 0.000 0.967 745 S HN 0.970 nan 8.310 nan 0.000 0.556 746 H N -1.587 117.205 119.070 -0.463 0.000 3.080 746 H HA -0.126 4.428 4.556 -0.004 0.000 0.254 746 H C -0.301 174.458 175.328 -0.947 0.000 1.179 746 H CA 0.893 56.420 56.048 -0.868 0.000 1.144 746 H CB -2.174 27.344 29.762 -0.407 0.000 1.261 746 H HN 0.482 nan 8.280 nan 0.000 0.333 747 S N 1.148 116.549 115.700 -0.499 0.000 2.955 747 S HA 0.335 4.803 4.470 -0.003 0.000 0.294 747 S C -0.082 174.491 174.600 -0.045 0.000 1.198 747 S CA -0.462 57.604 58.200 -0.223 0.000 1.008 747 S CB -0.040 63.109 63.200 -0.084 0.000 1.279 747 S HN 0.297 nan 8.310 nan 0.000 0.508 748 Y N 1.075 121.370 120.300 -0.008 0.000 2.631 748 Y HA 0.579 5.127 4.550 -0.003 0.000 0.328 748 Y C 0.636 176.515 175.900 -0.036 0.000 1.118 748 Y CA -1.304 56.763 58.100 -0.056 0.000 1.206 748 Y CB 1.090 39.509 38.460 -0.068 0.000 1.337 748 Y HN 0.294 nan 8.280 nan 0.000 0.515 749 E N 2.158 122.442 120.200 0.140 0.000 2.343 749 E HA 0.357 4.705 4.350 -0.003 0.000 0.260 749 E C -1.823 174.809 176.600 0.053 0.000 0.908 749 E CA -0.342 56.113 56.400 0.091 0.000 0.814 749 E CB 1.028 30.780 29.700 0.087 0.000 1.302 749 E HN 0.665 nan 8.360 nan 0.000 0.408 750 M N 2.034 121.674 119.600 0.067 0.000 2.761 750 M HA 0.687 5.165 4.480 -0.003 0.000 0.305 750 M C 0.613 176.968 176.300 0.092 0.000 1.235 750 M CA -0.198 55.124 55.300 0.038 0.000 0.850 750 M CB 1.841 34.448 32.600 0.012 0.000 1.744 750 M HN 0.720 nan 8.290 nan 0.000 0.480 751 G N 0.418 109.269 108.800 0.085 0.000 2.598 751 G HA2 0.251 4.209 3.960 -0.003 0.000 0.244 751 G HA3 0.251 4.209 3.960 -0.003 0.000 0.244 751 G C 0.072 175.130 174.900 0.263 0.000 1.302 751 G CA -0.075 45.105 45.100 0.134 0.000 0.903 751 G HN 1.889 nan 8.290 nan 0.000 0.575 752 G N -3.297 105.656 108.800 0.254 0.000 2.716 752 G HA2 0.394 4.352 3.960 -0.003 0.000 0.686 752 G HA3 0.394 4.352 3.960 -0.003 0.000 0.686 752 G C -0.241 174.866 174.900 0.345 0.000 1.337 752 G CA 0.510 45.785 45.100 0.292 0.000 0.829 752 G HN 1.995 nan 8.290 nan 0.000 0.599 753 T N 1.668 116.350 114.554 0.213 0.000 2.770 753 T HA 0.566 4.914 4.350 -0.003 0.000 0.297 753 T C 0.686 175.426 174.700 0.067 0.000 0.997 753 T CA -0.006 62.232 62.100 0.229 0.000 0.949 753 T CB 0.702 69.744 68.868 0.290 0.000 0.941 753 T HN 0.437 nan 8.240 nan 0.000 0.457 754 F N 1.380 121.399 119.950 0.115 0.000 2.720 754 F HA 0.327 4.852 4.527 -0.003 0.000 0.301 754 F C 1.468 177.315 175.800 0.079 0.000 1.103 754 F CA -0.301 57.767 58.000 0.113 0.000 1.291 754 F CB 1.052 40.115 39.000 0.105 0.000 1.086 754 F HN 0.468 nan 8.300 nan 0.000 0.592 755 T N -0.912 113.769 114.554 0.211 0.000 2.827 755 T HA 0.137 4.485 4.350 -0.003 0.000 0.328 755 T C -0.973 173.768 174.700 0.069 0.000 1.598 755 T CA -0.566 61.600 62.100 0.112 0.000 1.043 755 T CB 1.230 70.140 68.868 0.070 0.000 1.447 755 T HN 0.133 nan 8.240 nan 0.000 0.491 756 D N 1.072 121.492 120.400 0.034 0.000 2.363 756 D HA 0.155 4.793 4.640 -0.003 0.000 0.214 756 D C 0.132 176.420 176.300 -0.019 0.000 1.093 756 D CA -0.177 53.832 54.000 0.016 0.000 0.837 756 D CB 0.274 41.084 40.800 0.016 0.000 0.948 756 D HN 0.220 nan 8.370 nan 0.000 0.507 757 K N 1.487 121.862 120.400 -0.041 0.000 2.249 757 K HA 0.142 4.460 4.320 -0.003 0.000 0.280 757 K C 0.001 176.535 176.600 -0.111 0.000 1.033 757 K CA -0.433 55.796 56.287 -0.096 0.000 0.946 757 K CB 1.059 33.472 32.500 -0.145 0.000 1.005 757 K HN 0.127 nan 8.250 nan 0.000 0.469 758 D N 3.915 124.238 120.400 -0.129 0.000 2.372 758 D HA 0.120 4.758 4.640 -0.003 0.000 0.243 758 D C -1.962 174.231 176.300 -0.180 0.000 1.121 758 D CA -1.119 52.811 54.000 -0.116 0.000 0.898 758 D CB 0.575 41.323 40.800 -0.088 0.000 1.202 758 D HN 0.242 nan 8.370 nan 0.000 0.428 759 P HA -0.001 nan 4.420 nan 0.000 0.268 759 P C -0.190 177.052 177.300 -0.097 0.000 1.208 759 P CA -0.136 62.907 63.100 -0.095 0.000 0.777 759 P CB 0.405 32.097 31.700 -0.013 0.000 0.875 760 F N 1.683 121.633 119.950 -0.000 0.000 2.506 760 F HA 0.142 4.667 4.527 -0.004 0.000 0.351 760 F C 1.786 177.594 175.800 0.014 0.000 1.136 760 F CA 0.614 58.615 58.000 0.002 0.000 1.298 760 F CB 0.333 39.325 39.000 -0.014 0.000 1.145 760 F HN 0.062 nan 8.300 nan 0.000 0.593 761 R N 1.233 121.892 120.500 0.266 0.000 2.604 761 R HA 0.543 4.881 4.340 -0.003 0.000 0.287 761 R C -0.869 175.536 176.300 0.175 0.000 0.970 761 R CA -0.788 55.414 56.100 0.170 0.000 0.946 761 R CB 1.872 32.251 30.300 0.130 0.000 1.127 761 R HN 0.546 nan 8.270 nan 0.000 0.473 762 S N 0.274 116.052 115.700 0.131 0.000 2.733 762 S HA 0.436 4.904 4.470 -0.003 0.000 0.294 762 S C -0.509 174.154 174.600 0.106 0.000 1.149 762 S CA -0.600 57.680 58.200 0.135 0.000 1.034 762 S CB 1.344 64.616 63.200 0.120 0.000 1.015 762 S HN 0.770 nan 8.310 nan 0.000 0.486 763 G N 3.916 112.781 108.800 0.108 0.000 2.351 763 G HA2 0.537 4.495 3.960 -0.003 0.000 0.287 763 G HA3 0.537 4.495 3.960 -0.003 0.000 0.287 763 G C -0.473 174.485 174.900 0.096 0.000 1.159 763 G CA -0.396 44.751 45.100 0.078 0.000 0.929 763 G HN 0.662 nan 8.290 nan 0.000 0.435 764 R N 1.183 121.725 120.500 0.071 0.000 2.686 764 R HA 0.504 4.842 4.340 -0.003 0.000 0.286 764 R C 0.456 176.789 176.300 0.055 0.000 0.969 764 R CA -0.740 55.397 56.100 0.062 0.000 0.898 764 R CB 2.056 32.366 30.300 0.017 0.000 1.183 764 R HN 0.609 nan 8.270 nan 0.000 0.456 765 I N -0.968 119.639 120.570 0.062 0.000 3.426 765 I HA 0.496 4.663 4.170 -0.003 0.000 0.329 765 I C -0.045 176.100 176.117 0.048 0.000 1.553 765 I CA -0.572 60.767 61.300 0.066 0.000 1.019 765 I CB 1.425 39.482 38.000 0.096 0.000 1.376 765 I HN 0.653 nan 8.210 nan 0.000 0.525 766 A N 0.350 123.171 122.820 0.001 0.000 2.362 766 A HA -0.176 4.142 4.320 -0.003 0.000 0.290 766 A C 0.069 177.695 177.584 0.070 0.000 1.441 766 A CA 0.939 52.975 52.037 -0.002 0.000 0.743 766 A CB -2.339 16.709 19.000 0.080 0.000 1.125 766 A HN 0.724 nan 8.150 nan 0.000 0.378 767 C N -0.045 119.210 119.300 -0.075 0.000 3.288 767 C HA 0.736 5.194 4.460 -0.003 0.000 0.318 767 C C -0.868 173.859 174.990 -0.439 0.000 1.356 767 C CA -0.750 58.183 59.018 -0.142 0.000 1.359 767 C CB 2.279 29.902 27.740 -0.195 0.000 1.688 767 C HN 0.726 nan 8.230 nan 0.000 0.467 768 D N 0.790 120.989 120.400 -0.335 0.000 2.502 768 D HA 0.629 5.266 4.640 -0.003 0.000 0.249 768 D C -1.001 175.132 176.300 -0.278 0.000 1.092 768 D CA 0.079 53.897 54.000 -0.305 0.000 0.839 768 D CB 0.938 41.762 40.800 0.041 0.000 1.264 768 D HN 0.296 nan 8.370 nan 0.000 0.511 769 F N 0.876 120.942 119.950 0.193 0.000 2.470 769 F HA 0.506 5.031 4.527 -0.004 0.000 0.329 769 F C 0.791 176.781 175.800 0.316 0.000 1.072 769 F CA -0.949 57.176 58.000 0.208 0.000 0.989 769 F CB 1.964 40.996 39.000 0.053 0.000 1.193 769 F HN -0.158 nan 8.300 nan 0.000 0.481 770 K N 2.400 123.111 120.400 0.519 0.000 2.535 770 K HA 0.315 4.633 4.320 -0.003 0.000 0.250 770 K C -1.755 175.003 176.600 0.263 0.000 0.948 770 K CA -0.815 55.691 56.287 0.365 0.000 0.796 770 K CB 1.816 34.461 32.500 0.242 0.000 1.216 770 K HN 0.529 nan 8.250 nan 0.000 0.432 771 L N 4.467 125.772 121.223 0.135 0.000 2.369 771 L HA 0.220 4.558 4.340 -0.003 0.000 0.279 771 L C -0.704 176.145 176.870 -0.035 0.000 1.108 771 L CA 0.957 55.725 54.840 -0.120 0.000 0.852 771 L CB 0.547 42.495 42.059 -0.186 0.000 1.169 771 L HN 0.785 nan 8.230 nan 0.000 0.452 772 D N 4.471 124.850 120.400 -0.036 0.000 2.375 772 D HA 0.436 5.073 4.640 -0.003 0.000 0.259 772 D C 0.563 176.862 176.300 -0.001 0.000 1.235 772 D CA 0.602 54.606 54.000 0.007 0.000 0.924 772 D CB 1.035 41.862 40.800 0.045 0.000 1.143 772 D HN 0.820 nan 8.370 nan 0.000 0.529 773 G N 4.692 113.477 108.800 -0.024 0.000 2.972 773 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.265 773 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.265 773 G C 0.325 175.181 174.900 -0.075 0.000 1.506 773 G CA 0.455 45.542 45.100 -0.021 0.000 1.016 773 G HN 0.571 nan 8.290 nan 0.000 0.563 774 D N 0.177 120.530 120.400 -0.080 0.000 2.582 774 D HA 0.242 4.880 4.640 -0.003 0.000 0.246 774 D C 0.039 176.056 176.300 -0.470 0.000 1.334 774 D CA 0.036 53.893 54.000 -0.238 0.000 0.805 774 D CB -0.016 40.653 40.800 -0.218 0.000 1.087 774 D HN 0.642 nan 8.370 nan 0.000 0.499 775 H N -0.236 118.754 119.070 -0.134 0.000 2.895 775 H HA 0.269 4.823 4.556 -0.004 0.000 0.373 775 H C -1.150 174.106 175.328 -0.121 0.000 1.174 775 H CA -0.519 55.472 56.048 -0.095 0.000 1.144 775 H CB 1.677 31.420 29.762 -0.031 0.000 1.793 775 H HN -0.060 nan 8.280 nan 0.000 0.551 776 Y N 0.585 120.919 120.300 0.056 0.000 2.308 776 Y HA 0.268 4.816 4.550 -0.003 0.000 0.329 776 Y C 0.345 176.294 175.900 0.081 0.000 1.111 776 Y CA -0.321 57.793 58.100 0.023 0.000 1.179 776 Y CB 1.677 40.050 38.460 -0.145 0.000 1.201 776 Y HN 0.214 nan 8.280 nan 0.000 0.483 777 V N 4.675 124.772 119.914 0.306 0.000 2.628 777 V HA 0.408 4.525 4.120 -0.003 0.000 0.306 777 V C -0.817 175.464 176.094 0.312 0.000 1.045 777 V CA -0.898 61.549 62.300 0.245 0.000 0.905 777 V CB 1.819 33.742 31.823 0.165 0.000 0.997 777 V HN 0.517 nan 8.190 nan 0.000 0.436 778 V N 7.941 128.019 119.914 0.274 0.000 2.377 778 V HA 0.157 4.275 4.120 -0.003 0.000 0.254 778 V C 1.456 177.649 176.094 0.164 0.000 1.060 778 V CA 0.852 63.306 62.300 0.255 0.000 1.068 778 V CB -0.053 31.883 31.823 0.187 0.000 1.113 778 V HN 1.108 nan 8.190 nan 0.000 0.484 779 A N 4.816 127.729 122.820 0.155 0.000 1.969 779 A HA 0.005 4.323 4.320 -0.003 0.000 0.218 779 A C 1.137 178.748 177.584 0.044 0.000 1.169 779 A CA 1.161 53.262 52.037 0.107 0.000 0.635 779 A CB 0.099 19.175 19.000 0.127 0.000 0.810 779 A HN 0.654 nan 8.150 nan 0.000 0.445 780 K N -2.071 118.334 120.400 0.009 0.000 2.542 780 K HA 0.573 4.891 4.320 -0.003 0.000 0.259 780 K C -1.944 174.619 176.600 -0.063 0.000 0.932 780 K CA -0.171 56.066 56.287 -0.083 0.000 0.820 780 K CB 1.870 34.248 32.500 -0.204 0.000 1.345 780 K HN 0.156 nan 8.250 nan 0.000 0.432 781 A N 3.699 126.472 122.820 -0.079 0.000 2.483 781 A HA 0.408 4.726 4.320 -0.003 0.000 0.308 781 A C -1.477 176.180 177.584 0.122 0.000 1.291 781 A CA -0.520 51.551 52.037 0.057 0.000 0.774 781 A CB -0.024 18.983 19.000 0.011 0.000 1.134 781 A HN 0.584 nan 8.150 nan 0.000 0.471 782 Y N 0.977 121.325 120.300 0.079 0.000 2.610 782 Y HA 0.321 4.868 4.550 -0.005 0.000 0.332 782 Y C 0.919 176.834 175.900 0.024 0.000 1.201 782 Y CA 1.253 59.368 58.100 0.026 0.000 1.465 782 Y CB 0.671 39.104 38.460 -0.045 0.000 1.283 782 Y HN 0.861 nan 8.280 nan 0.000 0.563 783 A N 1.708 124.501 122.820 -0.045 0.000 2.566 783 A HA 0.685 5.002 4.320 -0.003 0.000 0.297 783 A C 0.121 177.456 177.584 -0.415 0.000 1.059 783 A CA -0.046 51.773 52.037 -0.362 0.000 0.691 783 A CB 0.900 19.404 19.000 -0.826 0.000 1.282 783 A HN 0.813 nan 8.150 nan 0.000 0.401 784 G N -0.186 108.345 108.800 -0.447 0.000 2.508 784 G HA2 0.419 4.377 3.960 -0.003 0.000 0.217 784 G HA3 0.419 4.377 3.960 -0.003 0.000 0.217 784 G C -0.545 174.123 174.900 -0.388 0.000 2.004 784 G CA 0.624 45.508 45.100 -0.361 0.000 0.750 784 G HN 0.660 nan 8.290 nan 0.000 0.730 785 D N -0.278 119.955 120.400 -0.280 0.000 2.473 785 D HA 0.278 4.916 4.640 -0.003 0.000 0.226 785 D C 0.581 176.793 176.300 -0.148 0.000 1.089 785 D CA -0.793 53.103 54.000 -0.172 0.000 0.883 785 D CB 0.595 41.357 40.800 -0.063 0.000 1.029 785 D HN 0.182 nan 8.370 nan 0.000 0.517 786 Y N 1.589 121.811 120.300 -0.131 0.000 2.172 786 Y HA -0.264 4.282 4.550 -0.007 0.000 0.280 786 Y C 2.468 178.321 175.900 -0.079 0.000 1.209 786 Y CA 1.374 59.386 58.100 -0.146 0.000 1.171 786 Y CB -0.262 38.101 38.460 -0.161 0.000 0.965 786 Y HN 0.336 nan 8.280 nan 0.000 0.520 787 S N -0.778 114.984 115.700 0.104 0.000 2.558 787 S HA 0.016 4.484 4.470 -0.003 0.000 0.217 787 S C 0.677 175.301 174.600 0.041 0.000 0.975 787 S CA -0.191 58.046 58.200 0.062 0.000 0.912 787 S CB -0.200 63.029 63.200 0.048 0.000 0.776 787 S HN 0.300 nan 8.310 nan 0.000 0.526 788 N N 1.958 120.677 118.700 0.031 0.000 2.327 788 N HA 0.179 4.917 4.740 -0.003 0.000 0.257 788 N C 0.025 175.560 175.510 0.043 0.000 1.281 788 N CA -0.084 52.989 53.050 0.037 0.000 0.942 788 N CB 0.308 38.821 38.487 0.043 0.000 1.199 788 N HN 0.269 nan 8.380 nan 0.000 0.532 789 E N -0.849 119.386 120.200 0.057 0.000 2.242 789 E HA 0.370 4.718 4.350 -0.003 0.000 0.275 789 E C -0.097 176.561 176.600 0.097 0.000 1.002 789 E CA -0.655 55.778 56.400 0.055 0.000 0.841 789 E CB 0.487 30.204 29.700 0.029 0.000 1.109 789 E HN 0.700 nan 8.360 nan 0.000 0.394 790 G N 3.479 112.328 108.800 0.083 0.000 2.412 790 G HA2 -0.291 3.667 3.960 -0.003 0.000 0.297 790 G HA3 -0.291 3.667 3.960 -0.003 0.000 0.297 790 G C 0.093 175.080 174.900 0.146 0.000 0.965 790 G CA 0.963 46.133 45.100 0.117 0.000 1.134 790 G HN 0.673 nan 8.290 nan 0.000 0.511 791 E N -0.708 119.517 120.200 0.041 0.000 3.105 791 E HA 0.213 4.561 4.350 -0.003 0.000 0.198 791 E C 0.514 177.035 176.600 -0.131 0.000 0.976 791 E CA -0.005 56.350 56.400 -0.076 0.000 1.219 791 E CB 0.404 30.029 29.700 -0.125 0.000 1.081 791 E HN 0.843 nan 8.360 nan 0.000 0.464 792 K N -1.621 118.760 120.400 -0.032 0.000 2.658 792 K HA 0.306 4.624 4.320 -0.003 0.000 0.293 792 K C -0.732 175.996 176.600 0.214 0.000 1.026 792 K CA -0.851 55.441 56.287 0.007 0.000 0.871 792 K CB 1.136 33.533 32.500 -0.170 0.000 1.524 792 K HN -0.067 nan 8.250 nan 0.000 0.400 793 S N 1.500 117.470 115.700 0.450 0.000 2.533 793 S HA 0.130 4.597 4.470 -0.003 0.000 0.282 793 S C -1.205 173.589 174.600 0.322 0.000 1.304 793 S CA -1.231 57.168 58.200 0.331 0.000 1.063 793 S CB 0.323 63.657 63.200 0.223 0.000 0.881 793 S HN 0.528 nan 8.310 nan 0.000 0.493 794 P HA -0.124 nan 4.420 nan 0.000 0.224 794 P C 1.333 178.748 177.300 0.193 0.000 1.142 794 P CA 1.028 64.236 63.100 0.180 0.000 0.778 794 P CB -0.019 31.756 31.700 0.126 0.000 0.764 795 I N -1.631 118.995 120.570 0.095 0.000 2.394 795 I HA -0.202 3.965 4.170 -0.003 0.000 0.251 795 I C 2.234 178.395 176.117 0.073 0.000 1.136 795 I CA 1.148 62.449 61.300 0.000 0.000 1.425 795 I CB -0.662 37.216 38.000 -0.204 0.000 1.079 795 I HN -0.171 nan 8.210 nan 0.000 0.425 796 F N 1.398 121.419 119.950 0.118 0.000 2.192 796 F HA -0.248 4.277 4.527 -0.004 0.000 0.301 796 F C 2.403 178.268 175.800 0.108 0.000 1.079 796 F CA 1.316 59.388 58.000 0.120 0.000 1.303 796 F CB -0.442 38.663 39.000 0.176 0.000 1.024 796 F HN 0.124 nan 8.300 nan 0.000 0.494 797 E N -1.041 119.335 120.200 0.294 0.000 2.267 797 E HA -0.225 4.123 4.350 -0.003 0.000 0.197 797 E C 0.886 177.463 176.600 -0.038 0.000 0.998 797 E CA 0.961 57.427 56.400 0.109 0.000 0.830 797 E CB -0.276 29.450 29.700 0.043 0.000 0.751 797 E HN 0.527 nan 8.360 nan 0.000 0.491 798 Y N 0.150 120.471 120.300 0.035 0.000 2.495 798 Y HA 0.214 4.767 4.550 0.006 0.000 0.293 798 Y C 1.250 177.149 175.900 -0.002 0.000 1.186 798 Y CA 0.220 58.321 58.100 0.002 0.000 1.266 798 Y CB 0.458 38.900 38.460 -0.030 0.000 1.101 798 Y HN -0.009 nan 8.280 nan 0.000 0.517 799 G N 1.966 110.834 108.800 0.114 0.000 2.350 799 G HA2 -0.260 3.698 3.960 -0.003 0.000 0.298 799 G HA3 -0.260 3.698 3.960 -0.003 0.000 0.298 799 G C -0.189 174.751 174.900 0.066 0.000 1.037 799 G CA 0.603 45.752 45.100 0.082 0.000 1.074 799 G HN 0.532 nan 8.290 nan 0.000 0.511 800 I N -3.146 117.446 120.570 0.036 0.000 2.731 800 I HA 0.424 4.592 4.170 -0.003 0.000 0.289 800 I C -1.299 174.676 176.117 -0.236 0.000 1.399 800 I CA -1.365 59.892 61.300 -0.072 0.000 1.048 800 I CB 2.143 40.047 38.000 -0.160 0.000 1.345 800 I HN 0.005 nan 8.210 nan 0.000 0.425 801 D N 8.840 129.141 120.400 -0.164 0.000 2.365 801 D HA 0.287 4.925 4.640 -0.003 0.000 0.237 801 D C -1.306 174.798 176.300 -0.327 0.000 1.190 801 D CA -2.238 51.590 54.000 -0.286 0.000 0.867 801 D CB 1.615 42.469 40.800 0.089 0.000 1.050 801 D HN 0.409 nan 8.370 nan 0.000 0.491 802 P HA -0.114 nan 4.420 nan 0.000 0.221 802 P C 0.148 177.429 177.300 -0.033 0.000 1.145 802 P CA 0.377 63.241 63.100 -0.393 0.000 0.795 802 P CB -0.175 31.330 31.700 -0.325 0.000 0.775 803 T N 0.270 114.824 114.554 0.000 0.000 2.891 803 T HA 0.235 4.583 4.350 -0.003 0.000 0.296 803 T C 1.600 176.416 174.700 0.194 0.000 1.025 803 T CA 1.311 63.465 62.100 0.091 0.000 1.149 803 T CB -0.210 68.700 68.868 0.070 0.000 1.007 803 T HN 0.426 nan 8.240 nan 0.000 0.528 804 G N 2.273 111.169 108.800 0.160 0.000 2.363 804 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.238 804 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.238 804 G C 0.238 175.212 174.900 0.123 0.000 1.062 804 G CA -0.065 45.110 45.100 0.124 0.000 0.629 804 G HN 0.741 nan 8.290 nan 0.000 0.514 805 Y N 0.552 120.858 120.300 0.010 0.000 2.459 805 Y HA 0.475 5.024 4.550 -0.002 0.000 0.349 805 Y C 1.307 177.219 175.900 0.021 0.000 1.266 805 Y CA -0.095 58.006 58.100 0.001 0.000 1.483 805 Y CB 0.357 38.807 38.460 -0.016 0.000 1.362 805 Y HN 0.188 nan 8.280 nan 0.000 0.628 806 L N 3.150 124.458 121.223 0.142 0.000 2.313 806 L HA 0.395 4.733 4.340 -0.003 0.000 0.283 806 L C -0.773 176.156 176.870 0.099 0.000 1.013 806 L CA -0.474 54.419 54.840 0.089 0.000 0.816 806 L CB 1.204 43.242 42.059 -0.035 0.000 1.236 806 L HN 0.437 nan 8.230 nan 0.000 0.419 807 I N 3.570 124.203 120.570 0.105 0.000 2.363 807 I HA 0.056 4.224 4.170 -0.003 0.000 0.292 807 I C 1.043 177.208 176.117 0.080 0.000 1.075 807 I CA -0.151 61.172 61.300 0.039 0.000 1.333 807 I CB 0.940 38.891 38.000 -0.082 0.000 1.415 807 I HN 0.713 nan 8.210 nan 0.000 0.502 808 E N 4.865 125.099 120.200 0.057 0.000 2.011 808 E HA -0.038 4.310 4.350 -0.003 0.000 0.191 808 E C -0.127 176.493 176.600 0.032 0.000 0.980 808 E CA 1.105 57.558 56.400 0.088 0.000 0.814 808 E CB 0.008 29.737 29.700 0.048 0.000 0.775 808 E HN 0.833 nan 8.360 nan 0.000 0.454 809 D N -1.411 118.978 120.400 -0.018 0.000 2.609 809 D HA 0.504 5.142 4.640 -0.003 0.000 0.239 809 D C -0.816 175.438 176.300 -0.077 0.000 1.229 809 D CA -0.572 53.398 54.000 -0.049 0.000 0.808 809 D CB 1.349 42.128 40.800 -0.034 0.000 1.448 809 D HN -0.095 nan 8.370 nan 0.000 0.433 810 I N 0.717 121.231 120.570 -0.094 0.000 2.436 810 I HA 0.284 4.451 4.170 -0.003 0.000 0.289 810 I C -0.560 175.510 176.117 -0.078 0.000 1.010 810 I CA -0.672 60.568 61.300 -0.100 0.000 1.098 810 I CB 1.800 39.718 38.000 -0.135 0.000 1.266 810 I HN 0.652 nan 8.210 nan 0.000 0.434 811 D N 5.218 125.580 120.400 -0.064 0.000 2.686 811 D HA -0.206 4.432 4.640 -0.003 0.000 0.235 811 D C 1.034 177.308 176.300 -0.043 0.000 1.160 811 D CA 1.657 55.628 54.000 -0.049 0.000 0.645 811 D CB -0.625 40.147 40.800 -0.046 0.000 1.039 811 D HN 1.097 nan 8.370 nan 0.000 0.423 812 G N 0.051 108.826 108.800 -0.042 0.000 2.640 812 G HA2 -0.386 3.572 3.960 -0.003 0.000 0.226 812 G HA3 -0.386 3.572 3.960 -0.003 0.000 0.226 812 G C 0.189 175.066 174.900 -0.039 0.000 1.222 812 G CA 0.604 45.684 45.100 -0.035 0.000 0.729 812 G HN 0.818 nan 8.290 nan 0.000 0.516 813 E N 2.054 122.226 120.200 -0.047 0.000 2.366 813 E HA 0.438 4.785 4.350 -0.003 0.000 0.266 813 E C -0.043 176.522 176.600 -0.059 0.000 1.015 813 E CA 0.267 56.636 56.400 -0.053 0.000 0.906 813 E CB 0.231 29.894 29.700 -0.062 0.000 0.979 813 E HN 0.188 nan 8.360 nan 0.000 0.443 814 T N 4.327 118.851 114.554 -0.050 0.000 2.814 814 T HA 0.249 4.597 4.350 -0.003 0.000 0.297 814 T C -0.226 174.437 174.700 -0.062 0.000 0.956 814 T CA -0.456 61.615 62.100 -0.048 0.000 1.123 814 T CB 0.614 69.457 68.868 -0.042 0.000 0.902 814 T HN 0.416 nan 8.240 nan 0.000 0.528 815 V N 1.146 121.026 119.914 -0.057 0.000 2.881 815 V HA 1.085 5.203 4.120 -0.003 0.000 0.316 815 V C 0.482 176.587 176.094 0.019 0.000 1.070 815 V CA -0.163 62.115 62.300 -0.037 0.000 0.976 815 V CB 1.211 32.966 31.823 -0.114 0.000 1.038 815 V HN 1.139 nan 8.190 nan 0.000 0.446 816 G N 0.883 109.736 108.800 0.090 0.000 2.334 816 G HA2 0.487 4.445 3.960 -0.003 0.000 0.249 816 G HA3 0.487 4.445 3.960 -0.003 0.000 0.249 816 G C 0.619 175.372 174.900 -0.245 0.000 1.327 816 G CA -0.042 44.969 45.100 -0.149 0.000 0.979 816 G HN 1.691 nan 8.290 nan 0.000 0.471 817 A N -0.691 121.943 122.820 -0.310 0.000 1.929 817 A HA 0.107 4.425 4.320 -0.003 0.000 0.221 817 A C 2.376 179.878 177.584 -0.136 0.000 1.211 817 A CA 3.340 55.242 52.037 -0.226 0.000 0.657 817 A CB -0.975 17.912 19.000 -0.188 0.000 0.827 817 A HN 2.257 nan 8.150 nan 0.000 0.462 818 G N -2.241 106.491 108.800 -0.112 0.000 3.502 818 G HA2 0.417 4.375 3.960 -0.003 0.000 0.267 818 G HA3 0.417 4.375 3.960 -0.003 0.000 0.267 818 G C 0.089 174.956 174.900 -0.054 0.000 1.090 818 G CA 0.843 45.900 45.100 -0.072 0.000 0.795 818 G HN 0.493 nan 8.290 nan 0.000 0.535 819 S N 0.579 116.255 115.700 -0.040 0.000 2.775 819 S HA 0.243 4.711 4.470 -0.003 0.000 0.277 819 S C -0.785 173.826 174.600 0.018 0.000 1.156 819 S CA -0.797 57.385 58.200 -0.029 0.000 1.081 819 S CB 0.586 63.756 63.200 -0.050 0.000 1.054 819 S HN 0.210 nan 8.310 nan 0.000 0.482 820 N N 4.914 123.598 118.700 -0.026 0.000 2.411 820 N HA 0.002 4.740 4.740 -0.003 0.000 0.282 820 N C 1.196 176.559 175.510 -0.245 0.000 1.322 820 N CA 0.238 53.260 53.050 -0.046 0.000 0.943 820 N CB 0.121 38.547 38.487 -0.101 0.000 1.266 820 N HN 0.828 nan 8.380 nan 0.000 0.486 821 I N 4.555 124.841 120.570 -0.473 0.000 2.361 821 I HA -0.294 3.874 4.170 -0.003 0.000 0.251 821 I C 0.830 176.530 176.117 -0.694 0.000 1.133 821 I CA 1.184 62.004 61.300 -0.801 0.000 1.413 821 I CB 0.036 37.093 38.000 -1.572 0.000 1.073 821 I HN 0.503 nan 8.210 nan 0.000 0.424 822 Y N 0.654 120.758 120.300 -0.328 0.000 2.181 822 Y HA -0.264 4.283 4.550 -0.004 0.000 0.288 822 Y C 2.737 178.369 175.900 -0.447 0.000 1.146 822 Y CA 1.786 59.746 58.100 -0.233 0.000 1.164 822 Y CB -0.841 37.556 38.460 -0.105 0.000 0.982 822 Y HN 0.148 nan 8.280 nan 0.000 0.515 823 R N 0.256 120.342 120.500 -0.689 0.000 2.062 823 R HA -0.126 4.212 4.340 -0.003 0.000 0.231 823 R C 2.116 178.159 176.300 -0.428 0.000 1.136 823 R CA 1.696 57.154 56.100 -1.069 0.000 0.948 823 R CB -0.643 28.988 30.300 -1.115 0.000 0.845 823 R HN 0.187 nan 8.270 nan 0.000 0.430 824 V N 1.820 121.536 119.914 -0.329 0.000 2.252 824 V HA -0.303 3.815 4.120 -0.003 0.000 0.249 824 V C 2.481 178.477 176.094 -0.163 0.000 1.056 824 V CA 2.031 64.203 62.300 -0.213 0.000 1.022 824 V CB -0.484 31.207 31.823 -0.219 0.000 0.641 824 V HN 0.371 nan 8.190 nan 0.000 0.445 825 L N -0.228 120.885 121.223 -0.182 0.000 2.079 825 L HA -0.205 4.133 4.340 -0.003 0.000 0.210 825 L C 2.721 179.574 176.870 -0.028 0.000 1.081 825 L CA 1.844 56.627 54.840 -0.095 0.000 0.752 825 L CB -0.659 41.361 42.059 -0.065 0.000 0.896 825 L HN 0.391 nan 8.230 nan 0.000 0.433 826 S N -0.066 115.622 115.700 -0.020 0.000 2.370 826 S HA -0.227 4.241 4.470 -0.003 0.000 0.226 826 S C 1.698 176.332 174.600 0.057 0.000 1.033 826 S CA 1.555 59.799 58.200 0.072 0.000 1.011 826 S CB -0.159 63.158 63.200 0.195 0.000 0.852 826 S HN 0.482 nan 8.310 nan 0.000 0.457 827 E N -0.232 119.976 120.200 0.013 0.000 2.516 827 E HA 0.011 4.359 4.350 -0.003 0.000 0.199 827 E C 1.153 177.755 176.600 0.003 0.000 1.069 827 E CA 0.451 56.860 56.400 0.015 0.000 0.876 827 E CB 0.208 29.904 29.700 -0.007 0.000 0.843 827 E HN 0.273 nan 8.360 nan 0.000 0.530 828 K N -0.146 120.252 120.400 -0.004 0.000 2.402 828 K HA 0.244 4.562 4.320 -0.003 0.000 0.204 828 K C 0.151 176.756 176.600 0.009 0.000 1.056 828 K CA -0.121 56.163 56.287 -0.006 0.000 1.069 828 K CB 0.889 33.374 32.500 -0.025 0.000 0.888 828 K HN -0.027 nan 8.250 nan 0.000 0.546 829 A N 0.867 123.701 122.820 0.023 0.000 2.567 829 A HA 0.373 4.691 4.320 -0.003 0.000 0.240 829 A C 1.239 178.839 177.584 0.027 0.000 1.053 829 A CA 1.261 53.317 52.037 0.033 0.000 0.755 829 A CB -0.488 18.542 19.000 0.050 0.000 0.978 829 A HN 0.563 nan 8.150 nan 0.000 0.507 830 G N 1.654 110.470 108.800 0.026 0.000 2.143 830 G HA2 -0.069 3.889 3.960 -0.003 0.000 0.249 830 G HA3 -0.069 3.889 3.960 -0.003 0.000 0.249 830 G C 0.433 175.345 174.900 0.019 0.000 0.981 830 G CA 1.154 46.267 45.100 0.022 0.000 0.665 830 G HN 2.437 nan 8.290 nan 0.000 0.528 831 T N -3.391 111.173 114.554 0.017 0.000 2.716 831 T HA 0.768 5.116 4.350 -0.003 0.000 0.286 831 T C -0.347 174.362 174.700 0.014 0.000 1.052 831 T CA 0.232 62.340 62.100 0.014 0.000 1.024 831 T CB 2.041 70.914 68.868 0.008 0.000 1.349 831 T HN 1.054 nan 8.240 nan 0.000 0.525 832 S N -0.400 115.308 115.700 0.013 0.000 2.454 832 S HA 0.752 5.220 4.470 -0.003 0.000 0.306 832 S C -0.548 174.051 174.600 -0.001 0.000 1.100 832 S CA -0.417 57.791 58.200 0.014 0.000 1.087 832 S CB 0.152 63.369 63.200 0.027 0.000 1.019 832 S HN 1.167 nan 8.310 nan 0.000 0.480 833 A N 4.065 126.877 122.820 -0.014 0.000 2.413 833 A HA 0.729 5.047 4.320 -0.003 0.000 0.307 833 A C -0.394 177.160 177.584 -0.050 0.000 1.087 833 A CA -0.915 51.103 52.037 -0.031 0.000 0.750 833 A CB 1.096 20.072 19.000 -0.040 0.000 1.296 833 A HN 0.882 nan 8.150 nan 0.000 0.423 834 R N 1.691 122.160 120.500 -0.053 0.000 2.267 834 R HA 0.531 4.869 4.340 -0.003 0.000 0.319 834 R C -1.354 174.897 176.300 -0.083 0.000 1.067 834 R CA -0.008 56.051 56.100 -0.069 0.000 0.936 834 R CB 0.078 30.348 30.300 -0.050 0.000 1.006 834 R HN 0.620 nan 8.270 nan 0.000 0.452 835 I N 4.604 125.108 120.570 -0.110 0.000 2.389 835 I HA 0.298 4.466 4.170 -0.003 0.000 0.288 835 I C -0.258 175.797 176.117 -0.102 0.000 0.999 835 I CA -1.093 60.142 61.300 -0.109 0.000 1.129 835 I CB 1.812 39.738 38.000 -0.124 0.000 1.288 835 I HN 0.516 nan 8.210 nan 0.000 0.444 836 R N 6.816 127.274 120.500 -0.070 0.000 2.254 836 R HA 0.684 5.022 4.340 -0.003 0.000 0.318 836 R C -1.530 174.756 176.300 -0.024 0.000 1.031 836 R CA 0.030 56.103 56.100 -0.045 0.000 0.905 836 R CB 0.615 30.899 30.300 -0.027 0.000 1.050 836 R HN 0.595 nan 8.270 nan 0.000 0.456 837 L N 1.859 123.081 121.223 -0.001 0.000 2.271 837 L HA 0.654 4.992 4.340 -0.003 0.000 0.265 837 L C -0.525 176.428 176.870 0.138 0.000 1.013 837 L CA -1.020 53.863 54.840 0.073 0.000 0.820 837 L CB 2.546 44.638 42.059 0.054 0.000 1.352 837 L HN 0.642 nan 8.230 nan 0.000 0.443 838 S N -0.671 115.158 115.700 0.214 0.000 2.652 838 S HA 0.583 5.051 4.470 -0.003 0.000 0.273 838 S C -0.217 174.269 174.600 -0.189 0.000 1.172 838 S CA -0.604 57.629 58.200 0.055 0.000 1.009 838 S CB 1.746 64.917 63.200 -0.048 0.000 1.094 838 S HN 0.845 nan 8.310 nan 0.000 0.471 839 G N 1.517 109.962 108.800 -0.591 0.000 2.857 839 G HA2 0.620 4.578 3.960 -0.003 0.000 0.217 839 G HA3 0.620 4.578 3.960 -0.003 0.000 0.217 839 G C -0.327 174.275 174.900 -0.497 0.000 1.357 839 G CA -0.680 43.737 45.100 -1.139 0.000 1.033 839 G HN 0.554 nan 8.290 nan 0.000 0.571 840 K N 0.084 120.237 120.400 -0.412 0.000 2.485 840 K HA 0.455 4.773 4.320 -0.003 0.000 0.277 840 K C 0.948 177.456 176.600 -0.153 0.000 0.990 840 K CA 1.250 57.410 56.287 -0.211 0.000 0.994 840 K CB -0.009 32.401 32.500 -0.149 0.000 0.906 840 K HN 1.740 nan 8.250 nan 0.000 0.488 841 G N 2.884 111.620 108.800 -0.108 0.000 2.539 841 G HA2 -0.257 3.701 3.960 -0.003 0.000 0.256 841 G HA3 -0.257 3.701 3.960 -0.003 0.000 0.256 841 G C 0.593 175.447 174.900 -0.078 0.000 1.233 841 G CA -0.039 45.016 45.100 -0.076 0.000 0.936 841 G HN 1.163 nan 8.290 nan 0.000 0.571 842 G N -0.068 108.699 108.800 -0.055 0.000 3.314 842 G HA2 0.388 4.346 3.960 -0.003 0.000 0.238 842 G HA3 0.388 4.346 3.960 -0.003 0.000 0.238 842 G C 0.248 175.126 174.900 -0.038 0.000 1.184 842 G CA 1.027 46.100 45.100 -0.045 0.000 0.806 842 G HN 0.743 nan 8.290 nan 0.000 0.536 843 D N 1.484 121.852 120.400 -0.053 0.000 2.382 843 D HA 0.177 4.815 4.640 -0.003 0.000 0.259 843 D C 0.071 176.376 176.300 0.007 0.000 1.224 843 D CA 0.562 54.550 54.000 -0.021 0.000 0.894 843 D CB 0.412 41.182 40.800 -0.050 0.000 1.127 843 D HN 0.178 nan 8.370 nan 0.000 0.487 844 K N 4.178 124.605 120.400 0.046 0.000 2.507 844 K HA 0.467 4.785 4.320 -0.003 0.000 0.251 844 K C -0.320 176.319 176.600 0.064 0.000 0.943 844 K CA -0.995 55.326 56.287 0.056 0.000 0.794 844 K CB 2.312 34.821 32.500 0.016 0.000 1.188 844 K HN 0.197 nan 8.250 nan 0.000 0.428 845 R N 1.512 122.053 120.500 0.069 0.000 2.711 845 R HA 0.349 4.687 4.340 -0.003 0.000 0.284 845 R C -0.906 175.370 176.300 -0.041 0.000 0.968 845 R CA -0.853 55.251 56.100 0.006 0.000 0.924 845 R CB 1.308 31.586 30.300 -0.037 0.000 1.162 845 R HN 0.634 nan 8.270 nan 0.000 0.465 846 D N 2.977 123.335 120.400 -0.069 0.000 2.364 846 D HA 0.271 4.908 4.640 -0.003 0.000 0.251 846 D C -0.930 175.284 176.300 -0.144 0.000 1.282 846 D CA -0.341 53.607 54.000 -0.087 0.000 0.927 846 D CB 0.135 40.908 40.800 -0.045 0.000 1.267 846 D HN 0.430 nan 8.370 nan 0.000 0.531 847 L N -0.279 120.783 121.223 -0.268 0.000 2.322 847 L HA 0.648 4.986 4.340 -0.003 0.000 0.269 847 L C 0.413 177.073 176.870 -0.351 0.000 1.012 847 L CA -1.130 53.421 54.840 -0.482 0.000 0.815 847 L CB 1.703 43.086 42.059 -1.127 0.000 1.295 847 L HN -0.000 nan 8.230 nan 0.000 0.438 848 M N 3.333 122.778 119.600 -0.258 0.000 2.151 848 M HA 0.373 4.851 4.480 -0.003 0.000 0.349 848 M C -0.598 175.672 176.300 -0.052 0.000 1.284 848 M CA -0.301 54.954 55.300 -0.075 0.000 1.173 848 M CB 0.432 33.061 32.600 0.048 0.000 1.469 848 M HN 0.371 nan 8.290 nan 0.000 0.439 849 I N 2.446 122.968 120.570 -0.080 0.000 2.488 849 I HA 0.241 4.409 4.170 -0.003 0.000 0.299 849 I C 0.225 176.356 176.117 0.024 0.000 0.984 849 I CA -0.636 60.650 61.300 -0.023 0.000 1.250 849 I CB 1.148 39.109 38.000 -0.065 0.000 1.389 849 I HN 0.402 nan 8.210 nan 0.000 0.488 850 D N 5.492 125.927 120.400 0.058 0.000 2.339 850 D HA 0.233 4.871 4.640 -0.003 0.000 0.241 850 D C 0.110 176.434 176.300 0.040 0.000 1.183 850 D CA -0.198 53.833 54.000 0.051 0.000 0.859 850 D CB 0.936 41.775 40.800 0.065 0.000 1.067 850 D HN 0.091 nan 8.370 nan 0.000 0.484 851 I N 4.034 124.620 120.570 0.027 0.000 2.347 851 I HA 0.103 4.271 4.170 -0.003 0.000 0.294 851 I C 0.733 176.870 176.117 0.033 0.000 1.090 851 I CA -0.329 60.988 61.300 0.027 0.000 1.314 851 I CB -0.389 37.619 38.000 0.014 0.000 1.423 851 I HN 0.149 nan 8.210 nan 0.000 0.503 852 L N 5.907 127.153 121.223 0.038 0.000 2.453 852 L HA 0.173 4.511 4.340 -0.003 0.000 0.261 852 L C 0.972 177.862 176.870 0.033 0.000 1.179 852 L CA -0.190 54.671 54.840 0.034 0.000 0.813 852 L CB 0.398 42.478 42.059 0.034 0.000 1.110 852 L HN 0.455 nan 8.230 nan 0.000 0.466 853 D N -0.618 119.799 120.400 0.029 0.000 2.323 853 D HA -0.002 4.636 4.640 -0.003 0.000 0.209 853 D C -0.311 176.004 176.300 0.026 0.000 0.973 853 D CA 0.826 54.846 54.000 0.033 0.000 0.874 853 D CB 0.320 41.138 40.800 0.029 0.000 0.930 853 D HN 0.509 nan 8.370 nan 0.000 0.521 854 D N -1.040 119.369 120.400 0.014 0.000 2.654 854 D HA 0.173 4.811 4.640 -0.003 0.000 0.231 854 D C -1.567 174.726 176.300 -0.013 0.000 1.239 854 D CA -0.713 53.284 54.000 -0.004 0.000 0.790 854 D CB 1.330 42.126 40.800 -0.006 0.000 1.480 854 D HN -0.124 nan 8.370 nan 0.000 0.442 855 D N 1.161 121.532 120.400 -0.049 0.000 2.740 855 D HA 0.090 4.728 4.640 -0.003 0.000 0.305 855 D C 1.178 177.406 176.300 -0.121 0.000 1.583 855 D CA -0.328 53.632 54.000 -0.066 0.000 0.790 855 D CB 0.103 40.848 40.800 -0.091 0.000 1.187 855 D HN 0.250 nan 8.370 nan 0.000 0.447 856 R N 0.326 120.767 120.500 -0.098 0.000 2.082 856 R HA -0.085 4.253 4.340 -0.003 0.000 0.234 856 R C 1.602 177.854 176.300 -0.080 0.000 1.136 856 R CA 1.566 57.586 56.100 -0.133 0.000 0.935 856 R CB -1.117 29.118 30.300 -0.109 0.000 0.842 856 R HN 0.161 nan 8.270 nan 0.000 0.430 857 F N 0.857 120.737 119.950 -0.116 0.000 2.091 857 F HA -0.146 4.376 4.527 -0.007 0.000 0.299 857 F C 1.916 177.706 175.800 -0.017 0.000 1.103 857 F CA 1.763 59.736 58.000 -0.044 0.000 1.228 857 F CB -0.353 38.615 39.000 -0.054 0.000 0.984 857 F HN 0.083 nan 8.300 nan 0.000 0.477 858 I N -0.104 120.391 120.570 -0.125 0.000 2.264 858 I HA -0.321 3.847 4.170 -0.003 0.000 0.248 858 I C 2.456 178.448 176.117 -0.208 0.000 1.111 858 I CA 1.431 62.617 61.300 -0.190 0.000 1.382 858 I CB -0.511 37.450 38.000 -0.064 0.000 1.060 858 I HN 0.117 nan 8.210 nan 0.000 0.418 859 R N -0.390 119.967 120.500 -0.237 0.000 2.090 859 R HA -0.183 4.155 4.340 -0.003 0.000 0.228 859 R C 2.380 178.569 176.300 -0.186 0.000 1.110 859 R CA 1.379 57.324 56.100 -0.258 0.000 0.973 859 R CB -0.516 29.502 30.300 -0.470 0.000 0.869 859 R HN 0.326 nan 8.270 nan 0.000 0.440 860 Y N 1.703 121.778 120.300 -0.376 0.000 2.145 860 Y HA -0.181 4.366 4.550 -0.005 0.000 0.286 860 Y C 2.160 177.919 175.900 -0.236 0.000 1.145 860 Y CA 1.451 59.299 58.100 -0.420 0.000 1.148 860 Y CB 0.024 38.190 38.460 -0.490 0.000 0.981 860 Y HN -0.189 nan 8.280 nan 0.000 0.507 861 R N -0.171 119.980 120.500 -0.581 0.000 2.120 861 R HA -0.139 4.199 4.340 -0.003 0.000 0.234 861 R C 2.657 178.753 176.300 -0.340 0.000 1.123 861 R CA 1.168 56.937 56.100 -0.551 0.000 0.975 861 R CB -1.214 28.723 30.300 -0.605 0.000 0.866 861 R HN 0.380 nan 8.270 nan 0.000 0.446 862 S N 0.001 115.568 115.700 -0.221 0.000 2.356 862 S HA -0.178 4.290 4.470 -0.003 0.000 0.223 862 S C 1.655 176.211 174.600 -0.074 0.000 1.032 862 S CA 1.259 59.395 58.200 -0.106 0.000 1.005 862 S CB -0.287 62.972 63.200 0.097 0.000 0.867 862 S HN 0.531 nan 8.310 nan 0.000 0.449 863 W N 1.912 123.072 121.300 -0.233 0.000 2.333 863 W HA -0.160 4.497 4.660 -0.005 0.000 0.316 863 W C 2.022 178.397 176.519 -0.240 0.000 1.215 863 W CA 1.859 59.080 57.345 -0.206 0.000 1.278 863 W CB -0.843 28.499 29.460 -0.196 0.000 1.154 863 W HN 0.100 nan 8.180 nan 0.000 0.486 864 V N 1.204 121.017 119.914 -0.168 0.000 2.252 864 V HA -0.340 3.778 4.120 -0.003 0.000 0.249 864 V C 2.433 178.378 176.094 -0.249 0.000 1.056 864 V CA 2.414 64.577 62.300 -0.228 0.000 1.022 864 V CB -1.083 30.611 31.823 -0.215 0.000 0.641 864 V HN 0.155 nan 8.190 nan 0.000 0.445 865 E N 0.148 120.212 120.200 -0.227 0.000 2.153 865 E HA -0.173 4.175 4.350 -0.003 0.000 0.194 865 E C 2.315 178.761 176.600 -0.256 0.000 0.988 865 E CA 1.457 57.735 56.400 -0.204 0.000 0.811 865 E CB -0.533 29.056 29.700 -0.185 0.000 0.746 865 E HN 0.605 nan 8.360 nan 0.000 0.466 866 A N 1.690 124.333 122.820 -0.296 0.000 1.858 866 A HA -0.206 4.112 4.320 -0.003 0.000 0.216 866 A C 1.994 179.333 177.584 -0.408 0.000 1.190 866 A CA 1.681 53.539 52.037 -0.299 0.000 0.617 866 A CB -0.880 17.950 19.000 -0.282 0.000 0.827 866 A HN 0.300 nan 8.150 nan 0.000 0.443 867 N N -1.040 117.261 118.700 -0.664 0.000 2.149 867 N HA -0.197 4.541 4.740 -0.003 0.000 0.188 867 N C 2.091 177.047 175.510 -0.923 0.000 1.019 867 N CA 1.129 53.640 53.050 -0.897 0.000 0.857 867 N CB -0.174 37.487 38.487 -1.375 0.000 0.997 867 N HN 0.480 nan 8.380 nan 0.000 0.426 868 R N 1.666 121.722 120.500 -0.740 0.000 2.073 868 R HA -0.040 4.298 4.340 -0.003 0.000 0.234 868 R C 2.072 177.979 176.300 -0.655 0.000 1.134 868 R CA 1.211 56.963 56.100 -0.580 0.000 0.952 868 R CB 0.020 30.174 30.300 -0.242 0.000 0.850 868 R HN 0.219 nan 8.270 nan 0.000 0.433 869 R N -0.884 119.381 120.500 -0.392 0.000 2.096 869 R HA -0.193 4.145 4.340 -0.003 0.000 0.235 869 R C 2.216 178.392 176.300 -0.207 0.000 1.127 869 R CA 1.656 57.614 56.100 -0.237 0.000 0.968 869 R CB -0.507 29.725 30.300 -0.113 0.000 0.861 869 R HN 0.321 nan 8.270 nan 0.000 0.440 870 Y N 1.333 121.428 120.300 -0.343 0.000 2.114 870 Y HA -0.245 4.303 4.550 -0.004 0.000 0.284 870 Y C 2.222 177.964 175.900 -0.262 0.000 1.143 870 Y CA 1.436 59.368 58.100 -0.280 0.000 1.135 870 Y CB -0.413 37.850 38.460 -0.328 0.000 0.980 870 Y HN -0.259 nan 8.280 nan 0.000 0.499 871 V N 0.397 120.122 119.914 -0.314 0.000 2.380 871 V HA -0.366 3.752 4.120 -0.003 0.000 0.251 871 V C 2.348 178.318 176.094 -0.207 0.000 1.063 871 V CA 2.289 64.418 62.300 -0.286 0.000 1.055 871 V CB -0.840 30.827 31.823 -0.260 0.000 0.657 871 V HN 0.509 nan 8.190 nan 0.000 0.455 872 H N 0.474 119.415 119.070 -0.216 0.000 2.299 872 H HA -0.105 4.448 4.556 -0.005 0.000 0.302 872 H C 2.389 177.625 175.328 -0.154 0.000 1.078 872 H CA 1.828 57.777 56.048 -0.165 0.000 1.323 872 H CB -0.440 29.254 29.762 -0.113 0.000 1.381 872 H HN 0.534 nan 8.280 nan 0.000 0.498 873 E N 0.352 120.518 120.200 -0.055 0.000 2.085 873 E HA -0.152 4.195 4.350 -0.003 0.000 0.194 873 E C 2.373 178.864 176.600 -0.181 0.000 0.994 873 E CA 0.799 57.130 56.400 -0.116 0.000 0.801 873 E CB 0.060 29.675 29.700 -0.142 0.000 0.743 873 E HN 0.240 nan 8.360 nan 0.000 0.453 874 R N 0.591 120.902 120.500 -0.316 0.000 2.115 874 R HA -0.042 4.296 4.340 -0.003 0.000 0.226 874 R C 1.725 177.926 176.300 -0.164 0.000 1.100 874 R CA 1.389 57.306 56.100 -0.306 0.000 0.980 874 R CB 0.079 30.072 30.300 -0.512 0.000 0.875 874 R HN 0.153 nan 8.270 nan 0.000 0.445 875 S N 0.382 116.010 115.700 -0.120 0.000 2.660 875 S HA 0.129 4.597 4.470 -0.003 0.000 0.227 875 S C -0.015 174.573 174.600 -0.020 0.000 0.948 875 S CA -0.367 57.801 58.200 -0.053 0.000 0.948 875 S CB 0.339 63.524 63.200 -0.025 0.000 0.779 875 S HN 0.127 nan 8.310 nan 0.000 0.487 876 K N 0.932 121.311 120.400 -0.035 0.000 3.071 876 K HA -0.183 4.135 4.320 -0.003 0.000 0.262 876 K C 0.872 177.480 176.600 0.013 0.000 0.977 876 K CA 0.725 57.002 56.287 -0.017 0.000 0.721 876 K CB -2.581 29.909 32.500 -0.017 0.000 1.293 876 K HN 1.325 nan 8.250 nan 0.000 0.475 877 G N -0.248 108.574 108.800 0.037 0.000 2.221 877 G HA2 -0.370 3.588 3.960 -0.003 0.000 0.265 877 G HA3 -0.370 3.588 3.960 -0.003 0.000 0.265 877 G C 0.558 175.572 174.900 0.189 0.000 1.041 877 G CA 1.440 46.594 45.100 0.089 0.000 0.807 877 G HN 0.783 nan 8.290 nan 0.000 0.502 878 T N -2.864 111.790 114.554 0.166 0.000 3.040 878 T HA 0.634 4.981 4.350 -0.003 0.000 0.266 878 T C 0.653 175.495 174.700 0.236 0.000 1.005 878 T CA 0.248 62.469 62.100 0.202 0.000 0.906 878 T CB 0.488 69.409 68.868 0.088 0.000 1.082 878 T HN 0.505 nan 8.240 nan 0.000 0.531 879 I N 1.243 121.887 120.570 0.124 0.000 2.608 879 I HA 0.657 4.825 4.170 -0.003 0.000 0.295 879 I C 0.526 176.472 176.117 -0.286 0.000 1.049 879 I CA -1.445 59.858 61.300 0.006 0.000 1.063 879 I CB 2.263 40.271 38.000 0.013 0.000 1.248 879 I HN 0.212 nan 8.210 nan 0.000 0.424 880 G N 3.241 111.885 108.800 -0.260 0.000 2.488 880 G HA2 0.530 4.488 3.960 -0.003 0.000 0.318 880 G HA3 0.530 4.488 3.960 -0.003 0.000 0.318 880 G C -1.995 172.889 174.900 -0.026 0.000 1.188 880 G CA -0.183 44.720 45.100 -0.327 0.000 0.944 880 G HN 0.505 nan 8.290 nan 0.000 0.495 881 Y N -0.644 119.562 120.300 -0.156 0.000 2.504 881 Y HA 0.691 5.238 4.550 -0.005 0.000 0.344 881 Y C -0.943 174.934 175.900 -0.038 0.000 1.023 881 Y CA -1.149 56.888 58.100 -0.105 0.000 1.020 881 Y CB 1.793 40.134 38.460 -0.198 0.000 1.282 881 Y HN 0.459 nan 8.280 nan 0.000 0.454 882 I N 5.827 125.989 120.570 -0.681 0.000 2.722 882 I HA 0.262 4.430 4.170 -0.003 0.000 0.292 882 I C -1.623 174.187 176.117 -0.512 0.000 1.267 882 I CA -0.789 60.273 61.300 -0.397 0.000 1.036 882 I CB 2.429 40.352 38.000 -0.128 0.000 1.281 882 I HN 0.645 nan 8.210 nan 0.000 0.423 883 H N 6.647 125.563 119.070 -0.256 0.000 2.600 883 H HA 0.599 5.153 4.556 -0.004 0.000 0.357 883 H C -1.713 173.726 175.328 0.185 0.000 1.106 883 H CA -0.611 55.434 56.048 -0.004 0.000 1.193 883 H CB 2.343 32.271 29.762 0.276 0.000 1.594 883 H HN 0.489 nan 8.280 nan 0.000 0.526 884 I N 8.005 128.224 120.570 -0.585 0.000 2.405 884 I HA 0.190 4.358 4.170 -0.003 0.000 0.280 884 I C -1.644 174.312 176.117 -0.269 0.000 1.027 884 I CA -2.027 59.108 61.300 -0.274 0.000 1.161 884 I CB 2.209 39.995 38.000 -0.356 0.000 1.300 884 I HN 0.436 nan 8.210 nan 0.000 0.463 885 P HA -0.104 nan 4.420 nan 0.000 0.218 885 P C -0.261 177.109 177.300 0.118 0.000 1.149 885 P CA 1.525 64.801 63.100 0.292 0.000 0.817 885 P CB 0.220 31.914 31.700 -0.010 0.000 0.785 886 D N -2.752 117.663 120.400 0.026 0.000 2.779 886 D HA 0.151 4.789 4.640 -0.003 0.000 0.331 886 D C -0.229 176.031 176.300 -0.067 0.000 1.331 886 D CA -0.591 53.417 54.000 0.014 0.000 0.866 886 D CB -0.213 40.642 40.800 0.093 0.000 1.409 886 D HN -0.322 nan 8.370 nan 0.000 0.486 887 M N 0.751 120.311 119.600 -0.068 0.000 2.972 887 M HA 0.485 4.963 4.480 -0.003 0.000 0.323 887 M C 0.439 176.585 176.300 -0.257 0.000 1.213 887 M CA -0.295 54.895 55.300 -0.183 0.000 0.935 887 M CB 0.017 32.524 32.600 -0.156 0.000 1.289 887 M HN 0.584 nan 8.290 nan 0.000 0.525 888 G N -0.112 108.568 108.800 -0.199 0.000 2.990 888 G HA2 0.515 4.473 3.960 -0.003 0.000 0.208 888 G HA3 0.515 4.473 3.960 -0.003 0.000 0.208 888 G C 0.870 175.476 174.900 -0.489 0.000 1.334 888 G CA -0.361 44.457 45.100 -0.472 0.000 1.024 888 G HN 0.119 nan 8.290 nan 0.000 0.574 889 M N -0.202 119.002 119.600 -0.660 0.000 2.117 889 M HA -0.023 4.455 4.480 -0.003 0.000 0.262 889 M C 2.442 178.784 176.300 0.070 0.000 1.065 889 M CA 1.335 56.495 55.300 -0.233 0.000 1.114 889 M CB -1.131 31.373 32.600 -0.159 0.000 1.361 889 M HN 0.628 nan 8.290 nan 0.000 0.408 890 M N 0.071 119.786 119.600 0.192 0.000 2.117 890 M HA -0.109 4.368 4.480 -0.003 0.000 0.262 890 M C 2.012 178.402 176.300 0.149 0.000 1.065 890 M CA 2.073 57.504 55.300 0.218 0.000 1.114 890 M CB -0.533 32.121 32.600 0.091 0.000 1.361 890 M HN 0.277 nan 8.290 nan 0.000 0.408 891 G N 0.840 109.679 108.800 0.064 0.000 2.459 891 G HA2 -0.255 3.703 3.960 -0.003 0.000 0.217 891 G HA3 -0.255 3.703 3.960 -0.003 0.000 0.217 891 G C 1.284 176.213 174.900 0.049 0.000 1.183 891 G CA 0.912 46.025 45.100 0.022 0.000 0.776 891 G HN 0.410 nan 8.290 nan 0.000 0.552 892 L N 1.279 122.503 121.223 0.003 0.000 2.043 892 L HA -0.117 4.221 4.340 -0.003 0.000 0.212 892 L C 2.534 179.565 176.870 0.269 0.000 1.075 892 L CA 1.635 56.531 54.840 0.094 0.000 0.752 892 L CB -0.658 41.427 42.059 0.043 0.000 0.891 892 L HN 0.174 nan 8.230 nan 0.000 0.432 893 N N -0.543 118.293 118.700 0.226 0.000 2.058 893 N HA -0.166 4.572 4.740 -0.003 0.000 0.191 893 N C 1.653 177.324 175.510 0.268 0.000 1.037 893 N CA 1.472 54.673 53.050 0.252 0.000 0.848 893 N CB -0.187 38.438 38.487 0.229 0.000 1.021 893 N HN 0.386 nan 8.380 nan 0.000 0.422 894 E N 0.558 120.922 120.200 0.273 0.000 2.106 894 E HA -0.121 4.227 4.350 -0.003 0.000 0.192 894 E C 1.859 178.586 176.600 0.212 0.000 0.984 894 E CA 0.335 56.910 56.400 0.293 0.000 0.806 894 E CB -0.681 29.261 29.700 0.403 0.000 0.750 894 E HN 0.401 nan 8.360 nan 0.000 0.458 895 F N 0.792 120.753 119.950 0.020 0.000 2.051 895 F HA -0.272 4.253 4.527 -0.002 0.000 0.296 895 F C 2.138 177.907 175.800 -0.051 0.000 1.122 895 F CA 1.583 59.509 58.000 -0.122 0.000 1.201 895 F CB -0.410 38.368 39.000 -0.371 0.000 0.978 895 F HN -0.045 nan 8.300 nan 0.000 0.472 896 Y N 0.046 120.365 120.300 0.032 0.000 2.352 896 Y HA -0.132 4.416 4.550 -0.004 0.000 0.292 896 Y C 2.600 178.520 175.900 0.032 0.000 1.136 896 Y CA 1.230 59.333 58.100 0.005 0.000 1.227 896 Y CB -0.511 38.011 38.460 0.104 0.000 0.991 896 Y HN 0.059 nan 8.280 nan 0.000 0.545 897 R N 0.089 120.701 120.500 0.188 0.000 2.127 897 R HA -0.174 4.164 4.340 -0.003 0.000 0.238 897 R C 1.050 177.403 176.300 0.088 0.000 1.134 897 R CA 1.597 57.783 56.100 0.143 0.000 0.975 897 R CB -0.147 30.250 30.300 0.162 0.000 0.865 897 R HN 0.298 nan 8.270 nan 0.000 0.447 898 L N -1.337 119.912 121.223 0.043 0.000 2.642 898 L HA 0.128 4.466 4.340 -0.003 0.000 0.233 898 L C 1.488 178.332 176.870 -0.044 0.000 1.077 898 L CA 0.302 55.148 54.840 0.011 0.000 0.879 898 L CB -0.328 41.739 42.059 0.013 0.000 1.151 898 L HN 0.069 nan 8.230 nan 0.000 0.495 899 F N 1.803 121.562 119.950 -0.318 0.000 2.236 899 F HA -0.221 4.304 4.527 -0.004 0.000 0.302 899 F C 2.094 177.810 175.800 -0.141 0.000 1.073 899 F CA 1.821 59.571 58.000 -0.416 0.000 1.336 899 F CB -0.133 38.295 39.000 -0.953 0.000 1.040 899 F HN 0.182 nan 8.300 nan 0.000 0.507 900 I N -2.294 118.199 120.570 -0.129 0.000 3.291 900 I HA -0.034 4.134 4.170 -0.003 0.000 0.279 900 I C 0.881 176.930 176.117 -0.114 0.000 1.294 900 I CA 0.937 62.154 61.300 -0.140 0.000 1.428 900 I CB -0.486 37.527 38.000 0.021 0.000 1.070 900 I HN 0.097 nan 8.210 nan 0.000 0.478 901 N N 0.722 119.381 118.700 -0.068 0.000 2.239 901 N HA 0.059 4.797 4.740 -0.003 0.000 0.208 901 N C 1.084 176.670 175.510 0.126 0.000 1.200 901 N CA 0.242 53.306 53.050 0.023 0.000 0.895 901 N CB 0.493 39.022 38.487 0.070 0.000 1.085 901 N HN 0.410 nan 8.380 nan 0.000 0.500 902 E N 0.490 120.723 120.200 0.055 0.000 2.473 902 E HA 0.090 4.438 4.350 -0.003 0.000 0.204 902 E C 1.422 178.097 176.600 0.125 0.000 0.994 902 E CA 0.204 56.691 56.400 0.146 0.000 0.945 902 E CB 0.258 29.976 29.700 0.029 0.000 0.990 902 E HN 0.234 nan 8.360 nan 0.000 0.493 903 S N 0.233 115.857 115.700 -0.126 0.000 2.474 903 S HA 0.011 4.479 4.470 -0.003 0.000 0.235 903 S C 1.559 176.145 174.600 -0.023 0.000 0.997 903 S CA 0.414 58.505 58.200 -0.183 0.000 0.949 903 S CB -0.042 62.726 63.200 -0.720 0.000 0.766 903 S HN -0.093 nan 8.310 nan 0.000 0.517 904 S N 1.027 116.740 115.700 0.022 0.000 2.506 904 S HA 0.445 4.913 4.470 -0.003 0.000 0.245 904 S C -0.867 173.704 174.600 -0.048 0.000 1.088 904 S CA -0.683 57.509 58.200 -0.012 0.000 1.099 904 S CB -0.213 62.940 63.200 -0.078 0.000 0.805 904 S HN 0.491 nan 8.310 nan 0.000 0.461 905 Y N 1.535 121.830 120.300 -0.008 0.000 2.545 905 Y HA 0.297 4.844 4.550 -0.005 0.000 0.324 905 Y C 1.833 177.745 175.900 0.020 0.000 1.220 905 Y CA -0.850 57.251 58.100 0.002 0.000 1.290 905 Y CB 0.527 38.998 38.460 0.018 0.000 1.355 905 Y HN 0.038 nan 8.280 nan 0.000 0.516 906 Q N 0.530 120.441 119.800 0.184 0.000 2.096 906 Q HA -0.023 4.315 4.340 -0.003 0.000 0.204 906 Q C 0.398 176.471 176.000 0.122 0.000 0.982 906 Q CA 1.358 57.230 55.803 0.114 0.000 0.850 906 Q CB -0.075 28.714 28.738 0.086 0.000 0.901 906 Q HN 0.825 nan 8.270 nan 0.000 0.422 907 G N -0.357 108.532 108.800 0.148 0.000 2.605 907 G HA2 0.554 4.512 3.960 -0.003 0.000 0.296 907 G HA3 0.554 4.512 3.960 -0.003 0.000 0.296 907 G C -2.023 172.954 174.900 0.128 0.000 1.304 907 G CA -0.540 44.632 45.100 0.119 0.000 0.941 907 G HN 0.034 nan 8.290 nan 0.000 0.475 908 L N 0.304 121.602 121.223 0.125 0.000 2.408 908 L HA 0.732 5.070 4.340 -0.003 0.000 0.268 908 L C -1.088 175.855 176.870 0.122 0.000 0.986 908 L CA -0.786 54.127 54.840 0.123 0.000 0.820 908 L CB 1.936 44.090 42.059 0.158 0.000 1.303 908 L HN 0.460 nan 8.230 nan 0.000 0.411 909 I N 5.395 126.024 120.570 0.098 0.000 2.355 909 I HA 0.348 4.516 4.170 -0.003 0.000 0.288 909 I C -0.651 175.467 176.117 0.002 0.000 0.999 909 I CA -0.819 60.537 61.300 0.092 0.000 1.163 909 I CB 1.871 39.976 38.000 0.175 0.000 1.316 909 I HN 0.261 nan 8.210 nan 0.000 0.454 910 V N 5.020 124.936 119.914 0.004 0.000 2.184 910 V HA 0.090 4.208 4.120 -0.003 0.000 0.262 910 V C 0.101 176.137 176.094 -0.097 0.000 1.209 910 V CA -0.442 61.836 62.300 -0.037 0.000 1.070 910 V CB 0.473 32.340 31.823 0.072 0.000 1.244 910 V HN 0.630 nan 8.190 nan 0.000 0.477 911 D N 3.374 123.692 120.400 -0.138 0.000 2.363 911 D HA 0.064 4.702 4.640 -0.003 0.000 0.263 911 D C 0.753 176.998 176.300 -0.092 0.000 1.258 911 D CA 0.208 54.220 54.000 0.019 0.000 0.907 911 D CB 1.605 42.551 40.800 0.242 0.000 1.107 911 D HN 0.423 nan 8.370 nan 0.000 0.495 912 V N 1.876 121.735 119.914 -0.093 0.000 3.085 912 V HA 0.375 4.492 4.120 -0.003 0.000 0.345 912 V C 0.748 176.798 176.094 -0.073 0.000 1.397 912 V CA -0.727 61.431 62.300 -0.235 0.000 1.165 912 V CB -0.561 31.051 31.823 -0.352 0.000 1.153 912 V HN 0.250 nan 8.190 nan 0.000 0.495 913 R N 0.134 120.687 120.500 0.087 0.000 2.679 913 R HA 0.395 4.733 4.340 -0.003 0.000 0.268 913 R C 0.298 176.618 176.300 0.032 0.000 1.044 913 R CA 0.510 56.603 56.100 -0.012 0.000 1.105 913 R CB -0.055 30.252 30.300 0.012 0.000 0.989 913 R HN 0.443 nan 8.270 nan 0.000 0.447 914 F N -1.460 118.470 119.950 -0.032 0.000 2.973 914 F HA -0.334 4.192 4.527 -0.003 0.000 0.299 914 F C 0.694 176.508 175.800 0.023 0.000 0.737 914 F CA 0.409 58.356 58.000 -0.088 0.000 1.151 914 F CB -1.272 37.357 39.000 -0.619 0.000 1.440 914 F HN 0.606 nan 8.300 nan 0.000 0.367 915 N N 1.801 120.571 118.700 0.116 0.000 2.434 915 N HA 0.118 4.855 4.740 -0.003 0.000 0.268 915 N C 1.195 176.741 175.510 0.059 0.000 1.256 915 N CA 1.034 54.123 53.050 0.065 0.000 0.914 915 N CB 1.195 39.650 38.487 -0.055 0.000 1.088 915 N HN 0.375 nan 8.380 nan 0.000 0.478 916 G N 2.149 110.990 108.800 0.069 0.000 2.956 916 G HA2 0.266 4.224 3.960 -0.003 0.000 0.207 916 G HA3 0.266 4.224 3.960 -0.003 0.000 0.207 916 G C 0.808 175.729 174.900 0.034 0.000 1.162 916 G CA 0.416 45.532 45.100 0.026 0.000 0.796 916 G HN 0.988 nan 8.290 nan 0.000 0.527 917 G N -1.693 107.141 108.800 0.057 0.000 2.782 917 G HA2 0.382 4.340 3.960 -0.003 0.000 0.228 917 G HA3 0.382 4.340 3.960 -0.003 0.000 0.228 917 G C 0.506 175.480 174.900 0.124 0.000 1.372 917 G CA 0.106 45.268 45.100 0.103 0.000 0.862 917 G HN 1.763 nan 8.290 nan 0.000 0.547 918 G N -2.845 106.058 108.800 0.171 0.000 2.198 918 G HA2 0.591 4.549 3.960 -0.003 0.000 0.057 918 G HA3 0.591 4.549 3.960 -0.003 0.000 0.057 918 G C 0.467 175.562 174.900 0.325 0.000 0.803 918 G CA 1.261 46.521 45.100 0.267 0.000 1.140 918 G HN 2.446 nan 8.290 nan 0.000 0.405 919 F N -1.059 118.879 119.950 -0.019 0.000 3.187 919 F HA 0.307 4.832 4.527 -0.004 0.000 0.398 919 F C 1.238 176.990 175.800 -0.080 0.000 1.110 919 F CA 0.952 58.916 58.000 -0.060 0.000 0.900 919 F CB -0.406 38.557 39.000 -0.061 0.000 1.578 919 F HN 0.887 nan 8.300 nan 0.000 0.511 920 V N 0.183 119.612 119.914 -0.809 0.000 3.563 920 V HA 0.194 4.312 4.120 -0.003 0.000 0.299 920 V C 2.046 177.942 176.094 -0.330 0.000 1.290 920 V CA 0.894 62.807 62.300 -0.646 0.000 1.201 920 V CB -1.091 30.280 31.823 -0.754 0.000 1.045 920 V HN 0.493 nan 8.190 nan 0.000 0.425 921 S N 1.919 117.498 115.700 -0.202 0.000 2.356 921 S HA -0.356 4.112 4.470 -0.003 0.000 0.223 921 S C 1.976 176.562 174.600 -0.024 0.000 1.032 921 S CA 1.724 59.887 58.200 -0.062 0.000 1.005 921 S CB -0.778 62.466 63.200 0.073 0.000 0.867 921 S HN 0.888 nan 8.310 nan 0.000 0.449 922 Q N 1.576 121.354 119.800 -0.036 0.000 2.112 922 Q HA -0.137 4.201 4.340 -0.003 0.000 0.206 922 Q C 2.254 178.229 176.000 -0.042 0.000 0.987 922 Q CA 1.824 57.620 55.803 -0.011 0.000 0.858 922 Q CB -0.905 27.835 28.738 0.004 0.000 0.905 922 Q HN 0.610 nan 8.270 nan 0.000 0.420 923 L N 0.062 121.229 121.223 -0.093 0.000 2.093 923 L HA -0.100 4.238 4.340 -0.003 0.000 0.208 923 L C 2.523 179.281 176.870 -0.188 0.000 1.085 923 L CA 0.846 55.626 54.840 -0.100 0.000 0.755 923 L CB -0.388 41.608 42.059 -0.104 0.000 0.904 923 L HN 0.265 nan 8.230 nan 0.000 0.435 924 I N -0.529 119.849 120.570 -0.320 0.000 2.406 924 I HA -0.234 3.934 4.170 -0.003 0.000 0.249 924 I C 2.458 178.379 176.117 -0.326 0.000 1.122 924 I CA 0.743 61.668 61.300 -0.625 0.000 1.431 924 I CB -0.046 37.447 38.000 -0.846 0.000 1.087 924 I HN 0.153 nan 8.210 nan 0.000 0.424 925 I N 0.925 121.445 120.570 -0.084 0.000 2.142 925 I HA -0.311 3.857 4.170 -0.003 0.000 0.240 925 I C 2.563 178.665 176.117 -0.024 0.000 1.078 925 I CA 1.653 62.951 61.300 -0.003 0.000 1.343 925 I CB -1.126 36.880 38.000 0.010 0.000 1.046 925 I HN 0.394 nan 8.210 nan 0.000 0.405 926 E N 1.044 121.226 120.200 -0.029 0.000 2.147 926 E HA -0.315 4.033 4.350 -0.003 0.000 0.199 926 E C 2.066 178.665 176.600 -0.001 0.000 1.005 926 E CA 1.806 58.203 56.400 -0.005 0.000 0.810 926 E CB 0.125 29.828 29.700 0.005 0.000 0.736 926 E HN 0.217 nan 8.360 nan 0.000 0.460 927 K N 0.428 120.803 120.400 -0.042 0.000 1.973 927 K HA -0.041 4.277 4.320 -0.003 0.000 0.210 927 K C 2.114 178.752 176.600 0.064 0.000 1.045 927 K CA 1.312 57.587 56.287 -0.020 0.000 0.937 927 K CB -0.425 31.974 32.500 -0.169 0.000 0.721 927 K HN 0.152 nan 8.250 nan 0.000 0.438 928 L N 0.409 121.677 121.223 0.075 0.000 2.261 928 L HA -0.164 4.174 4.340 -0.003 0.000 0.216 928 L C 2.289 179.220 176.870 0.103 0.000 1.114 928 L CA 0.646 55.589 54.840 0.172 0.000 0.777 928 L CB -0.398 41.792 42.059 0.219 0.000 0.910 928 L HN 0.295 nan 8.230 nan 0.000 0.440 929 M N -0.302 119.326 119.600 0.048 0.000 2.358 929 M HA -0.092 4.386 4.480 -0.003 0.000 0.264 929 M C 0.528 176.843 176.300 0.025 0.000 1.064 929 M CA 0.902 56.210 55.300 0.014 0.000 1.093 929 M CB -1.082 31.520 32.600 0.004 0.000 1.401 929 M HN 0.324 nan 8.290 nan 0.000 0.440 930 N N 1.451 120.182 118.700 0.051 0.000 2.492 930 N HA 0.024 4.761 4.740 -0.003 0.000 0.262 930 N C -0.129 175.403 175.510 0.035 0.000 1.202 930 N CA 0.271 53.344 53.050 0.038 0.000 0.926 930 N CB 0.693 39.212 38.487 0.054 0.000 1.078 930 N HN 0.092 nan 8.380 nan 0.000 0.454 931 K N 2.033 122.438 120.400 0.008 0.000 2.292 931 K HA 0.213 4.531 4.320 -0.003 0.000 0.257 931 K C -0.630 175.963 176.600 -0.012 0.000 0.940 931 K CA -0.765 55.527 56.287 0.008 0.000 0.811 931 K CB 1.279 33.783 32.500 0.007 0.000 1.120 931 K HN 0.418 nan 8.250 nan 0.000 0.428 932 R N 5.045 125.535 120.500 -0.018 0.000 2.404 932 R HA 0.084 4.422 4.340 -0.003 0.000 0.315 932 R C 0.745 177.010 176.300 -0.058 0.000 1.032 932 R CA 0.299 56.357 56.100 -0.069 0.000 0.992 932 R CB 0.046 30.296 30.300 -0.083 0.000 0.959 932 R HN 0.735 nan 8.270 nan 0.000 0.428 933 I N 0.683 121.233 120.570 -0.033 0.000 4.240 933 I HA 0.502 4.670 4.170 -0.003 0.000 0.331 933 I C 0.368 176.479 176.117 -0.010 0.000 1.381 933 I CA -0.401 60.905 61.300 0.010 0.000 1.136 933 I CB 1.150 39.192 38.000 0.070 0.000 1.137 933 I HN 0.591 nan 8.210 nan 0.000 0.411 934 G N 0.086 108.818 108.800 -0.114 0.000 2.550 934 G HA2 0.604 4.562 3.960 -0.003 0.000 0.293 934 G HA3 0.604 4.562 3.960 -0.003 0.000 0.293 934 G C -2.238 172.422 174.900 -0.400 0.000 1.402 934 G CA -0.535 44.483 45.100 -0.137 0.000 0.784 934 G HN 0.071 nan 8.290 nan 0.000 0.482 935 Y N -1.031 119.305 120.300 0.060 0.000 2.615 935 Y HA 0.572 5.119 4.550 -0.004 0.000 0.341 935 Y C -1.099 174.817 175.900 0.027 0.000 1.089 935 Y CA -0.804 57.330 58.100 0.056 0.000 1.049 935 Y CB 2.857 41.338 38.460 0.034 0.000 1.296 935 Y HN 0.400 nan 8.280 nan 0.000 0.470 936 D N 1.143 121.683 120.400 0.234 0.000 2.408 936 D HA 0.293 4.931 4.640 -0.003 0.000 0.243 936 D C -1.513 174.847 176.300 0.100 0.000 1.075 936 D CA -0.585 53.488 54.000 0.121 0.000 0.832 936 D CB 0.909 41.771 40.800 0.103 0.000 1.162 936 D HN 0.450 nan 8.370 nan 0.000 0.515 937 N N 3.463 122.200 118.700 0.061 0.000 2.439 937 N HA 0.391 5.129 4.740 -0.003 0.000 0.249 937 N C -2.176 173.347 175.510 0.022 0.000 1.003 937 N CA -0.951 52.118 53.050 0.033 0.000 0.942 937 N CB 1.260 39.759 38.487 0.019 0.000 1.115 937 N HN 0.219 nan 8.380 nan 0.000 0.505 938 P HA 0.342 nan 4.420 nan 0.000 0.285 938 P C 0.348 177.650 177.300 0.005 0.000 1.269 938 P CA -0.588 62.520 63.100 0.013 0.000 0.844 938 P CB 1.930 33.639 31.700 0.015 0.000 1.094 939 R N 1.579 122.081 120.500 0.004 0.000 2.092 939 R HA -0.049 4.289 4.340 -0.003 0.000 0.231 939 R C 0.734 177.032 176.300 -0.002 0.000 1.119 939 R CA 1.356 57.457 56.100 0.001 0.000 0.970 939 R CB -0.148 30.153 30.300 0.002 0.000 0.864 939 R HN 0.623 nan 8.270 nan 0.000 0.440 940 R N -1.293 119.207 120.500 -0.001 0.000 2.574 940 R HA 0.634 4.972 4.340 -0.003 0.000 0.288 940 R C -0.589 175.709 176.300 -0.002 0.000 1.004 940 R CA -0.470 55.628 56.100 -0.003 0.000 0.895 940 R CB 1.683 31.981 30.300 -0.002 0.000 1.191 940 R HN 0.214 nan 8.270 nan 0.000 0.444 941 G N 1.080 109.875 108.800 -0.007 0.000 2.362 941 G HA2 -0.020 3.938 3.960 -0.003 0.000 0.517 941 G HA3 -0.020 3.938 3.960 -0.003 0.000 0.517 941 G C -0.659 174.233 174.900 -0.013 0.000 1.256 941 G CA -0.433 44.663 45.100 -0.008 0.000 1.027 941 G HN 0.973 nan 8.290 nan 0.000 0.491 942 T N -1.482 113.064 114.554 -0.012 0.000 2.937 942 T HA 0.753 5.101 4.350 -0.003 0.000 0.283 942 T C 0.889 175.586 174.700 -0.006 0.000 1.012 942 T CA -0.651 61.436 62.100 -0.023 0.000 0.997 942 T CB 1.303 70.152 68.868 -0.031 0.000 1.136 942 T HN 0.877 nan 8.240 nan 0.000 0.551 943 L N 1.352 122.561 121.223 -0.024 0.000 2.483 943 L HA 0.302 4.640 4.340 -0.003 0.000 0.275 943 L C 0.428 177.365 176.870 0.112 0.000 1.220 943 L CA -0.250 54.601 54.840 0.019 0.000 0.833 943 L CB 0.613 42.602 42.059 -0.117 0.000 1.102 943 L HN 0.720 nan 8.230 nan 0.000 0.490 944 S N 2.708 118.525 115.700 0.196 0.000 2.566 944 S HA 0.370 4.838 4.470 -0.003 0.000 0.324 944 S C -2.343 172.417 174.600 0.267 0.000 1.081 944 S CA -1.109 57.203 58.200 0.187 0.000 1.105 944 S CB 1.491 64.770 63.200 0.131 0.000 0.981 944 S HN 0.386 nan 8.310 nan 0.000 0.464 945 P HA 0.136 nan 4.420 nan 0.000 0.275 945 P C -1.324 175.981 177.300 0.009 0.000 1.227 945 P CA -0.275 62.841 63.100 0.026 0.000 0.781 945 P CB 0.451 32.188 31.700 0.062 0.000 0.906 946 Y N 4.687 124.860 120.300 -0.213 0.000 2.326 946 Y HA 0.454 5.002 4.550 -0.004 0.000 0.331 946 Y C -2.605 173.230 175.900 -0.108 0.000 0.962 946 Y CA -2.627 55.407 58.100 -0.110 0.000 1.167 946 Y CB 1.608 40.015 38.460 -0.088 0.000 1.148 946 Y HN 0.287 nan 8.280 nan 0.000 0.463 947 P HA 0.223 nan 4.420 nan 0.000 0.277 947 P C 0.378 177.583 177.300 -0.157 0.000 1.271 947 P CA -0.080 62.713 63.100 -0.511 0.000 0.795 947 P CB 1.048 32.518 31.700 -0.384 0.000 1.101 948 T N -1.025 113.485 114.554 -0.073 0.000 2.812 948 T HA -0.077 4.271 4.350 -0.003 0.000 0.264 948 T C 0.756 175.496 174.700 0.066 0.000 1.042 948 T CA 1.487 63.596 62.100 0.016 0.000 1.140 948 T CB -0.954 67.939 68.868 0.043 0.000 0.870 948 T HN 0.441 nan 8.240 nan 0.000 0.445 949 N N 2.126 120.903 118.700 0.129 0.000 2.509 949 N HA 0.129 4.867 4.740 -0.003 0.000 0.239 949 N C -0.430 175.277 175.510 0.328 0.000 1.215 949 N CA -0.288 52.964 53.050 0.336 0.000 0.882 949 N CB 0.137 38.834 38.487 0.349 0.000 1.189 949 N HN 0.306 nan 8.380 nan 0.000 0.490 950 S N -1.303 114.494 115.700 0.161 0.000 2.475 950 S HA 0.446 4.914 4.470 -0.003 0.000 0.298 950 S C 0.031 174.708 174.600 0.128 0.000 1.119 950 S CA -0.907 57.367 58.200 0.124 0.000 1.085 950 S CB 1.482 64.688 63.200 0.011 0.000 1.028 950 S HN -0.114 nan 8.310 nan 0.000 0.489 951 V N 4.759 124.777 119.914 0.173 0.000 2.555 951 V HA 0.247 4.365 4.120 -0.003 0.000 0.286 951 V C 1.934 178.085 176.094 0.095 0.000 1.044 951 V CA -0.347 62.043 62.300 0.150 0.000 1.026 951 V CB 0.724 32.670 31.823 0.206 0.000 0.981 951 V HN 1.075 nan 8.190 nan 0.000 0.480 952 R N 3.005 123.554 120.500 0.080 0.000 2.073 952 R HA -0.033 4.305 4.340 -0.003 0.000 0.234 952 R C 1.169 177.520 176.300 0.085 0.000 1.134 952 R CA 1.721 57.870 56.100 0.082 0.000 0.952 952 R CB -0.076 30.271 30.300 0.079 0.000 0.850 952 R HN 0.900 nan 8.270 nan 0.000 0.433 953 G N -0.414 108.442 108.800 0.093 0.000 3.366 953 G HA2 0.231 4.189 3.960 -0.003 0.000 0.179 953 G HA3 0.231 4.189 3.960 -0.003 0.000 0.179 953 G C -1.135 173.815 174.900 0.083 0.000 1.143 953 G CA -0.596 44.553 45.100 0.082 0.000 0.810 953 G HN -0.035 nan 8.290 nan 0.000 0.697 954 K N 0.896 121.344 120.400 0.080 0.000 2.249 954 K HA 0.501 4.819 4.320 -0.003 0.000 0.280 954 K C -0.422 176.247 176.600 0.116 0.000 1.033 954 K CA -0.006 56.329 56.287 0.079 0.000 0.946 954 K CB 1.478 34.014 32.500 0.061 0.000 1.005 954 K HN 0.323 nan 8.250 nan 0.000 0.469 955 I N 2.817 123.473 120.570 0.144 0.000 2.648 955 I HA 0.507 4.675 4.170 -0.003 0.000 0.304 955 I C -0.076 176.220 176.117 0.297 0.000 1.009 955 I CA -1.142 60.299 61.300 0.235 0.000 1.114 955 I CB 1.647 39.841 38.000 0.324 0.000 1.293 955 I HN 0.435 nan 8.210 nan 0.000 0.449 956 I N 3.282 124.020 120.570 0.280 0.000 2.644 956 I HA 0.617 4.785 4.170 -0.003 0.000 0.291 956 I C -0.955 175.198 176.117 0.061 0.000 1.180 956 I CA -0.291 61.146 61.300 0.229 0.000 1.040 956 I CB 1.656 39.735 38.000 0.132 0.000 1.255 956 I HN 0.710 nan 8.210 nan 0.000 0.422 957 A N 7.996 130.739 122.820 -0.129 0.000 2.312 957 A HA 0.810 5.128 4.320 -0.003 0.000 0.326 957 A C -0.856 176.679 177.584 -0.082 0.000 1.172 957 A CA -0.514 51.329 52.037 -0.324 0.000 0.821 957 A CB 0.738 19.160 19.000 -0.962 0.000 1.166 957 A HN 0.638 nan 8.150 nan 0.000 0.493 958 I N 1.303 121.862 120.570 -0.018 0.000 2.404 958 I HA 0.534 4.702 4.170 -0.003 0.000 0.293 958 I C 0.096 176.237 176.117 0.040 0.000 0.992 958 I CA -0.237 61.098 61.300 0.057 0.000 1.149 958 I CB 2.221 40.301 38.000 0.133 0.000 1.315 958 I HN 0.634 nan 8.210 nan 0.000 0.446 959 T N 4.632 119.206 114.554 0.034 0.000 2.956 959 T HA 0.487 4.835 4.350 -0.003 0.000 0.312 959 T C -1.082 173.601 174.700 -0.029 0.000 1.151 959 T CA -0.699 61.406 62.100 0.008 0.000 1.024 959 T CB 1.356 70.242 68.868 0.030 0.000 1.140 959 T HN 0.806 nan 8.240 nan 0.000 0.473 960 N N 1.795 120.433 118.700 -0.103 0.000 3.002 960 N HA 0.353 5.091 4.740 -0.003 0.000 0.331 960 N C 0.834 176.224 175.510 -0.199 0.000 1.384 960 N CA -0.761 52.189 53.050 -0.167 0.000 0.780 960 N CB 0.392 38.716 38.487 -0.272 0.000 1.492 960 N HN 0.609 nan 8.380 nan 0.000 0.608 961 E N -0.731 119.271 120.200 -0.329 0.000 2.482 961 E HA -0.143 4.205 4.350 -0.003 0.000 0.196 961 E C -0.048 176.331 176.600 -0.368 0.000 1.047 961 E CA 0.849 57.053 56.400 -0.326 0.000 0.869 961 E CB -0.534 28.922 29.700 -0.407 0.000 0.836 961 E HN 0.728 nan 8.360 nan 0.000 0.520 962 Y N 1.082 121.296 120.300 -0.144 0.000 2.532 962 Y HA 0.403 4.951 4.550 -0.003 0.000 0.283 962 Y C 0.813 176.644 175.900 -0.115 0.000 1.181 962 Y CA -0.121 57.897 58.100 -0.137 0.000 1.256 962 Y CB 0.660 38.973 38.460 -0.245 0.000 1.112 962 Y HN 0.062 nan 8.280 nan 0.000 0.521 963 A N 0.488 123.315 122.820 0.012 0.000 2.291 963 A HA 0.783 5.101 4.320 -0.003 0.000 0.311 963 A C 0.271 177.945 177.584 0.150 0.000 1.224 963 A CA -0.106 51.961 52.037 0.050 0.000 0.821 963 A CB 0.317 19.330 19.000 0.021 0.000 1.172 963 A HN 0.326 nan 8.150 nan 0.000 0.494 964 G N 0.110 109.002 108.800 0.153 0.000 3.086 964 G HA2 0.632 4.590 3.960 -0.003 0.000 0.282 964 G HA3 0.632 4.590 3.960 -0.003 0.000 0.282 964 G C 0.228 175.368 174.900 0.400 0.000 1.343 964 G CA 0.337 45.683 45.100 0.410 0.000 0.895 964 G HN 1.432 nan 8.290 nan 0.000 0.557 965 S N -0.806 115.315 115.700 0.702 0.000 4.112 965 S HA -0.324 4.144 4.470 -0.003 0.000 0.602 965 S C 1.458 176.229 174.600 0.286 0.000 1.939 965 S CA 1.940 60.475 58.200 0.558 0.000 4.230 965 S CB -1.381 62.129 63.200 0.517 0.000 0.245 965 S HN 0.915 nan 8.310 nan 0.000 0.530 966 D N 1.110 121.623 120.400 0.189 0.000 2.182 966 D HA -0.007 4.630 4.640 -0.003 0.000 0.201 966 D C 1.873 178.251 176.300 0.130 0.000 0.986 966 D CA 1.849 55.896 54.000 0.079 0.000 0.847 966 D CB -0.894 39.933 40.800 0.046 0.000 0.942 966 D HN 0.526 nan 8.370 nan 0.000 0.467 967 G N -0.034 108.858 108.800 0.152 0.000 2.450 967 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.220 967 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.220 967 G C 1.465 176.517 174.900 0.255 0.000 1.130 967 G CA 0.820 46.014 45.100 0.158 0.000 0.760 967 G HN 0.246 nan 8.290 nan 0.000 0.557 968 D N 0.633 121.199 120.400 0.277 0.000 2.097 968 D HA -0.059 4.579 4.640 -0.003 0.000 0.197 968 D C 2.656 179.149 176.300 0.321 0.000 0.984 968 D CA 0.573 54.754 54.000 0.301 0.000 0.826 968 D CB -0.073 40.918 40.800 0.318 0.000 0.973 968 D HN 0.349 nan 8.370 nan 0.000 0.460 969 I N 0.593 121.300 120.570 0.229 0.000 2.163 969 I HA -0.274 3.894 4.170 -0.003 0.000 0.243 969 I C 2.441 178.767 176.117 0.348 0.000 1.085 969 I CA 0.856 62.285 61.300 0.214 0.000 1.347 969 I CB -0.391 37.445 38.000 -0.274 0.000 1.044 969 I HN -0.080 nan 8.210 nan 0.000 0.408 970 F N 1.865 121.886 119.950 0.119 0.000 2.091 970 F HA -0.290 4.235 4.527 -0.003 0.000 0.299 970 F C 2.678 178.574 175.800 0.159 0.000 1.103 970 F CA 2.117 60.178 58.000 0.102 0.000 1.228 970 F CB -0.328 38.675 39.000 0.006 0.000 0.984 970 F HN -0.054 nan 8.300 nan 0.000 0.477 971 S N 0.365 116.227 115.700 0.270 0.000 2.356 971 S HA -0.222 4.245 4.470 -0.003 0.000 0.223 971 S C 1.815 176.457 174.600 0.069 0.000 1.032 971 S CA 1.494 59.782 58.200 0.147 0.000 1.005 971 S CB -0.970 62.360 63.200 0.216 0.000 0.867 971 S HN 0.518 nan 8.310 nan 0.000 0.449 972 F N 2.399 122.352 119.950 0.004 0.000 2.102 972 F HA -0.147 4.378 4.527 -0.004 0.000 0.298 972 F C 2.532 178.183 175.800 -0.249 0.000 1.105 972 F CA 1.419 59.310 58.000 -0.180 0.000 1.239 972 F CB -0.562 38.205 39.000 -0.389 0.000 0.991 972 F HN 0.084 nan 8.300 nan 0.000 0.474 973 S N 0.362 116.111 115.700 0.082 0.000 2.359 973 S HA -0.239 4.229 4.470 -0.003 0.000 0.224 973 S C 1.840 176.347 174.600 -0.156 0.000 1.035 973 S CA 1.465 59.680 58.200 0.026 0.000 1.018 973 S CB -0.960 62.339 63.200 0.165 0.000 0.876 973 S HN 0.492 nan 8.310 nan 0.000 0.448 974 F N 2.453 122.153 119.950 -0.416 0.000 2.087 974 F HA -0.235 4.289 4.527 -0.004 0.000 0.299 974 F C 2.072 177.699 175.800 -0.289 0.000 1.100 974 F CA 1.670 59.417 58.000 -0.421 0.000 1.226 974 F CB -0.212 38.468 39.000 -0.535 0.000 0.983 974 F HN 0.088 nan 8.300 nan 0.000 0.479 975 K N -0.100 120.205 120.400 -0.158 0.000 1.984 975 K HA -0.213 4.105 4.320 -0.003 0.000 0.209 975 K C 2.060 178.445 176.600 -0.359 0.000 1.046 975 K CA 1.572 57.704 56.287 -0.259 0.000 0.934 975 K CB -0.403 31.925 32.500 -0.286 0.000 0.717 975 K HN -0.000 nan 8.250 nan 0.000 0.438 976 K N 1.548 121.659 120.400 -0.482 0.000 2.144 976 K HA -0.152 4.165 4.320 -0.003 0.000 0.209 976 K C 1.539 177.999 176.600 -0.233 0.000 1.047 976 K CA 1.422 57.469 56.287 -0.399 0.000 0.927 976 K CB -0.174 32.086 32.500 -0.401 0.000 0.716 976 K HN 0.117 nan 8.250 nan 0.000 0.454 977 L N -0.993 120.091 121.223 -0.231 0.000 2.592 977 L HA 0.234 4.572 4.340 -0.003 0.000 0.227 977 L C 0.978 177.705 176.870 -0.239 0.000 1.127 977 L CA 0.171 54.896 54.840 -0.191 0.000 0.884 977 L CB -0.190 41.767 42.059 -0.170 0.000 1.065 977 L HN 0.467 nan 8.230 nan 0.000 0.457 978 G N 1.017 109.638 108.800 -0.298 0.000 2.323 978 G HA2 -0.293 3.665 3.960 -0.003 0.000 0.292 978 G HA3 -0.293 3.665 3.960 -0.003 0.000 0.292 978 G C 0.623 175.299 174.900 -0.374 0.000 1.040 978 G CA 0.253 45.178 45.100 -0.292 0.000 0.942 978 G HN 0.342 nan 8.290 nan 0.000 0.506 979 L N -0.534 120.293 121.223 -0.661 0.000 2.478 979 L HA 0.457 4.795 4.340 -0.003 0.000 0.223 979 L C 1.766 178.261 176.870 -0.625 0.000 1.140 979 L CA 1.604 56.022 54.840 -0.705 0.000 0.842 979 L CB 0.013 41.489 42.059 -0.973 0.000 0.953 979 L HN 0.913 nan 8.230 nan 0.000 0.452 980 G N -1.936 106.498 108.800 -0.610 0.000 2.343 980 G HA2 0.098 4.055 3.960 -0.003 0.000 0.289 980 G HA3 0.098 4.055 3.960 -0.003 0.000 0.289 980 G C -1.524 173.431 174.900 0.093 0.000 1.295 980 G CA -0.936 44.094 45.100 -0.116 0.000 0.869 980 G HN -0.318 nan 8.290 nan 0.000 0.522 981 K N -0.574 119.956 120.400 0.217 0.000 2.126 981 K HA 0.644 4.962 4.320 -0.003 0.000 0.257 981 K C -0.691 176.083 176.600 0.290 0.000 1.007 981 K CA -0.651 55.758 56.287 0.202 0.000 0.928 981 K CB 1.816 34.398 32.500 0.137 0.000 1.013 981 K HN 0.454 nan 8.250 nan 0.000 0.473 982 L N 2.933 124.271 121.223 0.192 0.000 2.305 982 L HA 0.411 4.749 4.340 -0.003 0.000 0.284 982 L C -1.169 175.766 176.870 0.107 0.000 1.013 982 L CA -0.524 54.394 54.840 0.129 0.000 0.819 982 L CB 0.938 43.059 42.059 0.104 0.000 1.227 982 L HN 0.399 nan 8.230 nan 0.000 0.417 983 I N 4.558 125.191 120.570 0.104 0.000 2.530 983 I HA 0.933 5.101 4.170 -0.003 0.000 0.297 983 I C 0.637 176.798 176.117 0.072 0.000 1.011 983 I CA 0.280 61.655 61.300 0.125 0.000 1.107 983 I CB 1.606 39.747 38.000 0.235 0.000 1.285 983 I HN 0.767 nan 8.210 nan 0.000 0.436 984 G N 3.349 112.171 108.800 0.037 0.000 2.286 984 G HA2 0.291 4.249 3.960 -0.003 0.000 0.118 984 G HA3 0.291 4.249 3.960 -0.003 0.000 0.118 984 G C -0.759 174.137 174.900 -0.006 0.000 1.267 984 G CA -0.062 45.048 45.100 0.017 0.000 1.171 984 G HN 0.842 nan 8.290 nan 0.000 0.465 985 T N -1.990 112.553 114.554 -0.018 0.000 2.903 985 T HA 0.700 5.048 4.350 -0.003 0.000 0.299 985 T C -0.071 174.598 174.700 -0.051 0.000 1.093 985 T CA -0.136 61.944 62.100 -0.033 0.000 1.002 985 T CB 2.454 71.299 68.868 -0.038 0.000 1.127 985 T HN 0.970 nan 8.240 nan 0.000 0.488 986 R N 1.617 122.075 120.500 -0.070 0.000 2.566 986 R HA 0.246 4.584 4.340 -0.003 0.000 0.273 986 R C 0.768 177.017 176.300 -0.086 0.000 0.981 986 R CA 0.576 56.613 56.100 -0.105 0.000 1.091 986 R CB -0.022 30.152 30.300 -0.210 0.000 0.924 986 R HN 0.940 nan 8.270 nan 0.000 0.411 987 T N 1.219 115.753 114.554 -0.032 0.000 2.788 987 T HA 0.028 4.376 4.350 -0.003 0.000 0.280 987 T C 0.952 175.739 174.700 0.145 0.000 0.984 987 T CA -0.454 61.682 62.100 0.059 0.000 0.972 987 T CB 0.581 69.528 68.868 0.132 0.000 1.039 987 T HN 0.807 nan 8.240 nan 0.000 0.530 988 W N 2.128 123.459 121.300 0.052 0.000 2.285 988 W HA -0.036 4.623 4.660 -0.003 0.000 0.333 988 W C 1.679 178.352 176.519 0.255 0.000 1.290 988 W CA 2.797 60.243 57.345 0.169 0.000 1.234 988 W CB -1.086 28.498 29.460 0.207 0.000 1.154 988 W HN 1.488 nan 8.180 nan 0.000 0.463 989 G N -0.954 108.011 108.800 0.275 0.000 2.392 989 G HA2 0.108 4.066 3.960 -0.003 0.000 0.215 989 G HA3 0.108 4.066 3.960 -0.003 0.000 0.215 989 G C -0.034 174.880 174.900 0.023 0.000 1.097 989 G CA -0.135 45.028 45.100 0.105 0.000 0.840 989 G HN 1.132 nan 8.290 nan 0.000 0.492 990 G N -0.594 108.183 108.800 -0.039 0.000 3.712 990 G HA2 0.624 4.582 3.960 -0.003 0.000 0.327 990 G HA3 0.624 4.582 3.960 -0.003 0.000 0.327 990 G C 0.428 175.497 174.900 0.281 0.000 1.566 990 G CA 0.331 45.334 45.100 -0.163 0.000 0.953 990 G HN 1.616 nan 8.290 nan 0.000 0.488 991 V N -0.072 119.942 119.914 0.166 0.000 2.993 991 V HA 0.397 4.515 4.120 -0.003 0.000 0.377 991 V C -0.171 175.921 176.094 -0.003 0.000 1.318 991 V CA -0.649 61.724 62.300 0.122 0.000 1.312 991 V CB 0.248 32.148 31.823 0.129 0.000 1.342 991 V HN 0.173 nan 8.190 nan 0.000 0.544 992 V N 2.041 121.891 119.914 -0.107 0.000 2.275 992 V HA 0.710 4.828 4.120 -0.003 0.000 0.272 992 V C 1.312 177.172 176.094 -0.390 0.000 1.028 992 V CA 0.066 62.229 62.300 -0.229 0.000 0.810 992 V CB 0.506 32.155 31.823 -0.289 0.000 1.043 992 V HN 0.581 nan 8.190 nan 0.000 0.453 993 G N 4.590 113.234 108.800 -0.261 0.000 2.699 993 G HA2 0.518 4.475 3.960 -0.003 0.000 0.246 993 G HA3 0.518 4.475 3.960 -0.003 0.000 0.246 993 G C -0.308 174.611 174.900 0.032 0.000 1.219 993 G CA -0.144 44.798 45.100 -0.263 0.000 0.866 993 G HN 0.907 nan 8.290 nan 0.000 0.572 994 I N -3.462 117.111 120.570 0.004 0.000 2.969 994 I HA 0.780 4.948 4.170 -0.003 0.000 0.307 994 I C -0.889 175.267 176.117 0.065 0.000 1.149 994 I CA -0.965 60.421 61.300 0.143 0.000 1.008 994 I CB 2.717 40.736 38.000 0.032 0.000 1.232 994 I HN 0.340 nan 8.210 nan 0.000 0.435 995 T N 3.484 118.133 114.554 0.158 0.000 3.233 995 T HA 0.333 4.681 4.350 -0.003 0.000 0.324 995 T C -2.581 172.158 174.700 0.065 0.000 0.992 995 T CA -0.532 61.587 62.100 0.032 0.000 1.414 995 T CB 0.572 69.413 68.868 -0.044 0.000 0.935 995 T HN 0.581 nan 8.240 nan 0.000 0.544 996 P HA 0.201 nan 4.420 nan 0.000 0.266 996 P C 0.072 177.413 177.300 0.068 0.000 1.195 996 P CA -0.171 62.962 63.100 0.054 0.000 0.768 996 P CB 0.977 32.703 31.700 0.043 0.000 0.838 997 K N 1.189 121.661 120.400 0.120 0.000 2.553 997 K HA 0.303 4.620 4.320 -0.003 0.000 0.205 997 K C 0.413 177.212 176.600 0.332 0.000 1.168 997 K CA -0.586 55.817 56.287 0.193 0.000 1.043 997 K CB 1.098 33.672 32.500 0.124 0.000 0.967 997 K HN 0.288 nan 8.250 nan 0.000 0.585 998 R N 1.446 122.076 120.500 0.217 0.000 2.604 998 R HA 0.332 4.669 4.340 -0.003 0.000 0.270 998 R C -1.614 174.733 176.300 0.078 0.000 1.052 998 R CA -0.632 55.557 56.100 0.149 0.000 0.902 998 R CB 1.621 32.014 30.300 0.155 0.000 1.233 998 R HN 0.310 nan 8.270 nan 0.000 0.455 999 R N 3.442 123.969 120.500 0.045 0.000 2.919 999 R HA 0.540 4.878 4.340 -0.003 0.000 0.260 999 R C -0.608 175.709 176.300 0.029 0.000 1.067 999 R CA -1.019 55.109 56.100 0.048 0.000 1.003 999 R CB 1.005 31.345 30.300 0.066 0.000 1.192 999 R HN 0.253 nan 8.270 nan 0.000 0.488 1000 L N 2.031 123.280 121.223 0.044 0.000 2.453 1000 L HA 0.228 4.566 4.340 -0.003 0.000 0.261 1000 L C 1.997 178.890 176.870 0.038 0.000 1.179 1000 L CA -0.533 54.326 54.840 0.031 0.000 0.813 1000 L CB 0.709 42.791 42.059 0.038 0.000 1.110 1000 L HN 0.784 nan 8.230 nan 0.000 0.466 1001 I N -1.294 119.280 120.570 0.006 0.000 2.761 1001 I HA -0.232 3.936 4.170 -0.003 0.000 0.266 1001 I C 1.200 177.314 176.117 -0.006 0.000 1.239 1001 I CA 1.396 62.691 61.300 -0.008 0.000 1.451 1001 I CB -0.475 37.489 38.000 -0.060 0.000 1.096 1001 I HN 0.780 nan 8.210 nan 0.000 0.465 1002 D N 0.592 121.008 120.400 0.027 0.000 2.395 1002 D HA 0.175 4.813 4.640 -0.003 0.000 0.213 1002 D C 1.556 178.064 176.300 0.346 0.000 1.110 1002 D CA 0.473 54.520 54.000 0.077 0.000 0.835 1002 D CB 0.504 41.296 40.800 -0.014 0.000 0.965 1002 D HN 0.490 nan 8.370 nan 0.000 0.505 1003 G N 0.136 109.086 108.800 0.250 0.000 2.213 1003 G HA2 -0.269 3.689 3.960 -0.003 0.000 0.236 1003 G HA3 -0.269 3.689 3.960 -0.003 0.000 0.236 1003 G C 0.518 175.508 174.900 0.150 0.000 0.991 1003 G CA 0.184 45.409 45.100 0.208 0.000 0.629 1003 G HN 0.428 nan 8.290 nan 0.000 0.517 1004 T N 1.093 115.733 114.554 0.143 0.000 2.933 1004 T HA 0.365 4.713 4.350 -0.003 0.000 0.306 1004 T C 0.405 175.166 174.700 0.102 0.000 1.045 1004 T CA 0.699 62.880 62.100 0.134 0.000 1.143 1004 T CB 1.832 70.770 68.868 0.117 0.000 1.003 1004 T HN 0.636 nan 8.240 nan 0.000 0.540 1005 V N 5.973 125.945 119.914 0.097 0.000 2.326 1005 V HA 0.339 4.457 4.120 -0.003 0.000 0.281 1005 V C 0.203 176.341 176.094 0.073 0.000 1.015 1005 V CA -0.643 61.703 62.300 0.076 0.000 0.823 1005 V CB 0.719 32.580 31.823 0.063 0.000 1.009 1005 V HN 0.689 nan 8.190 nan 0.000 0.436 1006 L N 4.317 125.576 121.223 0.060 0.000 2.399 1006 L HA 0.736 5.074 4.340 -0.003 0.000 0.265 1006 L C 0.637 177.527 176.870 0.034 0.000 1.089 1006 L CA -0.192 54.676 54.840 0.048 0.000 0.802 1006 L CB 1.945 44.019 42.059 0.024 0.000 1.180 1006 L HN 0.738 nan 8.230 nan 0.000 0.454 1007 T N -0.724 113.841 114.554 0.018 0.000 2.893 1007 T HA 0.710 5.058 4.350 -0.003 0.000 0.291 1007 T C -0.791 173.862 174.700 -0.078 0.000 1.028 1007 T CA -0.935 61.157 62.100 -0.014 0.000 0.995 1007 T CB 2.105 70.969 68.868 -0.007 0.000 1.051 1007 T HN 0.442 nan 8.240 nan 0.000 0.470 1008 Q N 2.113 121.863 119.800 -0.083 0.000 2.285 1008 Q HA 0.453 4.791 4.340 -0.003 0.000 0.269 1008 Q C -2.833 173.112 176.000 -0.093 0.000 1.030 1008 Q CA -2.092 53.636 55.803 -0.126 0.000 0.788 1008 Q CB 2.248 30.892 28.738 -0.156 0.000 1.266 1008 Q HN 0.504 nan 8.270 nan 0.000 0.438 1009 P HA -0.098 nan 4.420 nan 0.000 0.258 1009 P C -0.450 176.769 177.300 -0.135 0.000 1.214 1009 P CA 0.595 63.651 63.100 -0.074 0.000 0.872 1009 P CB 0.661 32.360 31.700 -0.002 0.000 0.890 1010 E N 2.248 122.325 120.200 -0.205 0.000 2.465 1010 E HA 0.104 4.452 4.350 -0.003 0.000 0.209 1010 E C -0.469 175.621 176.600 -0.850 0.000 0.951 1010 E CA 0.021 56.108 56.400 -0.521 0.000 0.997 1010 E CB 0.288 29.588 29.700 -0.667 0.000 1.025 1010 E HN 0.311 nan 8.360 nan 0.000 0.500 1011 F N 0.961 120.854 119.950 -0.095 0.000 2.564 1011 F HA 0.465 4.990 4.527 -0.003 0.000 0.368 1011 F C -0.133 175.579 175.800 -0.147 0.000 1.127 1011 F CA -0.968 56.986 58.000 -0.077 0.000 1.170 1011 F CB 1.227 40.185 39.000 -0.071 0.000 1.397 1011 F HN -0.105 nan 8.300 nan 0.000 0.493 1012 A N 2.838 125.560 122.820 -0.163 0.000 2.451 1012 A HA 0.317 4.635 4.320 -0.003 0.000 0.266 1012 A C -0.691 176.895 177.584 0.002 0.000 1.119 1012 A CA -0.101 51.712 52.037 -0.374 0.000 0.786 1012 A CB -0.204 18.054 19.000 -1.236 0.000 1.061 1012 A HN 0.565 nan 8.150 nan 0.000 0.503 1013 F N 3.064 122.956 119.950 -0.097 0.000 2.427 1013 F HA 0.459 4.985 4.527 -0.003 0.000 0.352 1013 F C -0.249 175.472 175.800 -0.130 0.000 1.100 1013 F CA -0.458 57.475 58.000 -0.113 0.000 1.191 1013 F CB 0.713 39.589 39.000 -0.206 0.000 1.128 1013 F HN 0.654 nan 8.300 nan 0.000 0.533 1014 W N 8.796 129.425 121.300 -1.118 0.000 2.336 1014 W HA 0.431 5.088 4.660 -0.004 0.000 0.315 1014 W C -1.791 174.151 176.519 -0.962 0.000 1.016 1014 W CA -1.156 55.574 57.345 -1.025 0.000 1.318 1014 W CB 0.547 29.453 29.460 -0.923 0.000 1.247 1014 W HN 0.371 nan 8.180 nan 0.000 0.414 1015 F N 5.633 124.876 119.950 -1.178 0.000 2.427 1015 F HA 0.316 4.840 4.527 -0.004 0.000 0.352 1015 F C 1.346 176.275 175.800 -1.452 0.000 1.100 1015 F CA -0.778 56.637 58.000 -0.976 0.000 1.191 1015 F CB 0.771 39.268 39.000 -0.839 0.000 1.128 1015 F HN 0.229 nan 8.300 nan 0.000 0.533 1016 R N 3.644 123.701 120.500 -0.739 0.000 2.570 1016 R HA -0.007 4.331 4.340 -0.003 0.000 0.277 1016 R C -0.334 175.727 176.300 -0.398 0.000 1.039 1016 R CA 0.185 55.842 56.100 -0.739 0.000 1.065 1016 R CB 0.171 30.425 30.300 -0.076 0.000 0.964 1016 R HN 0.798 nan 8.270 nan 0.000 0.428 1017 D N 1.801 122.008 120.400 -0.322 0.000 2.907 1017 D HA -0.234 4.403 4.640 -0.003 0.000 0.226 1017 D C -0.158 176.048 176.300 -0.157 0.000 1.141 1017 D CA 1.396 55.312 54.000 -0.140 0.000 0.779 1017 D CB -1.284 39.489 40.800 -0.045 0.000 1.095 1017 D HN 0.656 nan 8.370 nan 0.000 0.430 1018 A N -1.810 120.814 122.820 -0.327 0.000 2.590 1018 A HA 0.561 4.878 4.320 -0.003 0.000 0.153 1018 A C 1.537 178.893 177.584 -0.379 0.000 1.705 1018 A CA 1.171 53.044 52.037 -0.274 0.000 1.228 1018 A CB 0.038 18.863 19.000 -0.293 0.000 1.463 1018 A HN 1.358 nan 8.150 nan 0.000 0.425 1019 G N 0.147 108.498 108.800 -0.748 0.000 2.574 1019 G HA2 -0.300 3.658 3.960 -0.003 0.000 0.286 1019 G HA3 -0.300 3.658 3.960 -0.003 0.000 0.286 1019 G C 0.338 174.805 174.900 -0.721 0.000 1.212 1019 G CA 0.698 45.282 45.100 -0.860 0.000 0.979 1019 G HN 0.797 nan 8.290 nan 0.000 0.557 1020 F N 2.790 122.690 119.950 -0.084 0.000 2.732 1020 F HA 0.355 4.880 4.527 -0.004 0.000 0.303 1020 F C 2.552 178.327 175.800 -0.042 0.000 1.110 1020 F CA 0.736 58.694 58.000 -0.070 0.000 1.355 1020 F CB -0.238 38.730 39.000 -0.055 0.000 1.081 1020 F HN 0.624 nan 8.300 nan 0.000 0.565 1021 G N 0.845 109.682 108.800 0.061 0.000 2.597 1021 G HA2 -0.301 3.657 3.960 -0.003 0.000 0.222 1021 G HA3 -0.301 3.657 3.960 -0.003 0.000 0.222 1021 G C 1.776 176.738 174.900 0.103 0.000 1.135 1021 G CA 1.637 46.762 45.100 0.042 0.000 0.759 1021 G HN 0.287 nan 8.290 nan 0.000 0.595 1022 V N 0.944 120.914 119.914 0.093 0.000 2.392 1022 V HA -0.074 4.044 4.120 -0.003 0.000 0.249 1022 V C 1.461 177.690 176.094 0.225 0.000 1.059 1022 V CA 1.476 63.889 62.300 0.188 0.000 1.051 1022 V CB -0.565 31.364 31.823 0.177 0.000 0.658 1022 V HN 0.524 nan 8.190 nan 0.000 0.455 1023 E N 1.241 121.556 120.200 0.192 0.000 2.452 1023 E HA -0.063 4.285 4.350 -0.003 0.000 0.261 1023 E C 0.724 177.475 176.600 0.251 0.000 0.987 1023 E CA 0.633 57.150 56.400 0.196 0.000 0.926 1023 E CB -0.694 29.082 29.700 0.125 0.000 0.934 1023 E HN 0.428 nan 8.360 nan 0.000 0.452 1024 N N 2.792 121.690 118.700 0.331 0.000 2.747 1024 N HA -0.324 4.414 4.740 -0.003 0.000 0.249 1024 N C -0.834 174.747 175.510 0.119 0.000 1.107 1024 N CA 0.813 54.024 53.050 0.269 0.000 0.707 1024 N CB -0.587 38.089 38.487 0.314 0.000 1.054 1024 N HN 0.662 nan 8.380 nan 0.000 0.555 1025 Y N -1.331 118.958 120.300 -0.018 0.000 3.213 1025 Y HA 0.345 4.893 4.550 -0.003 0.000 0.208 1025 Y C 0.984 176.883 175.900 -0.003 0.000 1.044 1025 Y CA 2.064 60.135 58.100 -0.050 0.000 1.520 1025 Y CB 0.357 38.817 38.460 -0.000 0.000 1.447 1025 Y HN 0.284 nan 8.280 nan 0.000 0.393 1026 G N 0.869 109.664 108.800 -0.007 0.000 2.472 1026 G HA2 0.044 4.002 3.960 -0.003 0.000 0.205 1026 G HA3 0.044 4.002 3.960 -0.003 0.000 0.205 1026 G C -1.765 173.180 174.900 0.075 0.000 1.270 1026 G CA -0.533 44.558 45.100 -0.014 0.000 0.974 1026 G HN 0.675 nan 8.290 nan 0.000 0.542 1027 V N 0.989 120.941 119.914 0.064 0.000 2.588 1027 V HA 0.540 4.658 4.120 -0.003 0.000 0.304 1027 V C -0.832 175.299 176.094 0.061 0.000 1.042 1027 V CA -0.903 61.490 62.300 0.154 0.000 0.877 1027 V CB 1.887 33.834 31.823 0.208 0.000 0.996 1027 V HN 0.691 nan 8.190 nan 0.000 0.425 1028 D N 5.989 126.454 120.400 0.108 0.000 2.277 1028 D HA 0.336 4.974 4.640 -0.003 0.000 0.249 1028 D C -2.327 173.996 176.300 0.039 0.000 1.134 1028 D CA -0.981 53.057 54.000 0.065 0.000 0.863 1028 D CB 2.110 42.981 40.800 0.118 0.000 1.143 1028 D HN 0.327 nan 8.370 nan 0.000 0.458 1029 P HA 0.134 nan 4.420 nan 0.000 0.278 1029 P C 0.249 177.565 177.300 0.026 0.000 1.238 1029 P CA -0.412 62.705 63.100 0.028 0.000 0.794 1029 P CB 1.588 33.303 31.700 0.025 0.000 0.955 1030 D N 0.329 120.752 120.400 0.038 0.000 2.149 1030 D HA -0.055 4.583 4.640 -0.003 0.000 0.198 1030 D C 0.525 176.847 176.300 0.037 0.000 0.990 1030 D CA 1.573 55.595 54.000 0.036 0.000 0.839 1030 D CB 0.130 40.961 40.800 0.052 0.000 0.948 1030 D HN 0.151 nan 8.370 nan 0.000 0.460 1031 V N 0.786 120.727 119.914 0.046 0.000 2.531 1031 V HA 0.176 4.294 4.120 -0.003 0.000 0.301 1031 V C -0.092 175.970 176.094 -0.052 0.000 1.034 1031 V CA -0.922 61.376 62.300 -0.003 0.000 0.865 1031 V CB 2.517 34.362 31.823 0.038 0.000 0.995 1031 V HN -0.086 nan 8.190 nan 0.000 0.424 1032 E N 4.043 124.194 120.200 -0.082 0.000 2.130 1032 E HA 0.517 4.865 4.350 -0.003 0.000 0.284 1032 E C -1.498 175.026 176.600 -0.128 0.000 1.018 1032 E CA -0.602 55.754 56.400 -0.073 0.000 0.817 1032 E CB 1.083 30.758 29.700 -0.042 0.000 1.078 1032 E HN 0.571 nan 8.360 nan 0.000 0.396 1033 I N 5.200 125.701 120.570 -0.115 0.000 2.437 1033 I HA 0.123 4.291 4.170 -0.003 0.000 0.279 1033 I C 0.177 176.259 176.117 -0.058 0.000 1.028 1033 I CA -0.418 60.797 61.300 -0.142 0.000 1.142 1033 I CB 1.311 39.195 38.000 -0.193 0.000 1.266 1033 I HN 0.463 nan 8.210 nan 0.000 0.461 1034 E N 3.433 123.626 120.200 -0.012 0.000 2.409 1034 E HA 0.002 4.350 4.350 -0.003 0.000 0.257 1034 E C -0.958 175.649 176.600 0.011 0.000 1.150 1034 E CA 0.085 56.524 56.400 0.065 0.000 0.942 1034 E CB 1.013 30.820 29.700 0.179 0.000 0.979 1034 E HN 0.337 nan 8.360 nan 0.000 0.447 1035 Y N 0.532 120.776 120.300 -0.095 0.000 2.562 1035 Y HA 0.337 4.885 4.550 -0.004 0.000 0.363 1035 Y C -0.137 175.572 175.900 -0.318 0.000 0.991 1035 Y CA -0.867 57.102 58.100 -0.220 0.000 1.121 1035 Y CB 0.062 38.426 38.460 -0.159 0.000 1.159 1035 Y HN 0.506 nan 8.280 nan 0.000 0.651 1036 A N 3.510 126.174 122.820 -0.261 0.000 2.492 1036 A HA 0.230 4.548 4.320 -0.003 0.000 0.236 1036 A C -1.446 175.814 177.584 -0.539 0.000 1.078 1036 A CA -0.835 50.768 52.037 -0.724 0.000 0.773 1036 A CB 0.118 18.570 19.000 -0.915 0.000 1.023 1036 A HN 0.511 nan 8.150 nan 0.000 0.504 1037 P HA -0.175 nan 4.420 nan 0.000 0.218 1037 P C 0.716 177.835 177.300 -0.302 0.000 1.148 1037 P CA 2.036 64.795 63.100 -0.568 0.000 0.822 1037 P CB -0.165 30.794 31.700 -1.235 0.000 0.784 1038 H N -2.448 116.568 119.070 -0.090 0.000 2.462 1038 H HA 0.018 4.572 4.556 -0.003 0.000 0.292 1038 H C 1.405 176.770 175.328 0.063 0.000 1.049 1038 H CA 0.984 57.088 56.048 0.094 0.000 1.334 1038 H CB -1.375 28.529 29.762 0.238 0.000 1.404 1038 H HN 0.100 nan 8.280 nan 0.000 0.544 1039 D N 0.487 120.839 120.400 -0.079 0.000 2.144 1039 D HA -0.141 4.497 4.640 -0.003 0.000 0.200 1039 D C 1.333 177.625 176.300 -0.012 0.000 0.978 1039 D CA 1.123 55.089 54.000 -0.056 0.000 0.833 1039 D CB -0.162 40.491 40.800 -0.245 0.000 0.961 1039 D HN 0.476 nan 8.370 nan 0.000 0.470 1040 Y N 1.052 121.383 120.300 0.053 0.000 2.263 1040 Y HA -0.029 4.518 4.550 -0.004 0.000 0.292 1040 Y C 2.523 178.422 175.900 -0.002 0.000 1.130 1040 Y CA 0.418 58.527 58.100 0.016 0.000 1.179 1040 Y CB -0.314 38.056 38.460 -0.150 0.000 0.998 1040 Y HN -0.102 nan 8.280 nan 0.000 0.532 1041 L N -0.499 120.812 121.223 0.146 0.000 2.201 1041 L HA -0.189 4.149 4.340 -0.003 0.000 0.212 1041 L C 2.275 179.208 176.870 0.106 0.000 1.105 1041 L CA 1.607 56.516 54.840 0.116 0.000 0.775 1041 L CB -0.562 41.581 42.059 0.140 0.000 0.913 1041 L HN 0.277 nan 8.230 nan 0.000 0.440 1042 S N -0.900 114.862 115.700 0.103 0.000 2.558 1042 S HA 0.129 4.597 4.470 -0.003 0.000 0.217 1042 S C 1.457 176.087 174.600 0.050 0.000 0.975 1042 S CA 0.287 58.533 58.200 0.077 0.000 0.912 1042 S CB 0.270 63.517 63.200 0.078 0.000 0.776 1042 S HN 0.486 nan 8.310 nan 0.000 0.526 1043 G N 1.370 110.203 108.800 0.055 0.000 2.246 1043 G HA2 -0.286 3.672 3.960 -0.003 0.000 0.273 1043 G HA3 -0.286 3.672 3.960 -0.003 0.000 0.273 1043 G C -0.261 174.633 174.900 -0.011 0.000 1.055 1043 G CA 0.540 45.662 45.100 0.037 0.000 0.851 1043 G HN 0.773 nan 8.290 nan 0.000 0.500 1044 K N -0.012 120.365 120.400 -0.038 0.000 2.316 1044 K HA 0.480 4.798 4.320 -0.003 0.000 0.251 1044 K C -1.486 174.979 176.600 -0.224 0.000 0.934 1044 K CA -0.967 55.254 56.287 -0.110 0.000 0.802 1044 K CB 1.315 33.765 32.500 -0.084 0.000 1.171 1044 K HN -0.011 nan 8.250 nan 0.000 0.426 1045 D N 5.717 125.952 120.400 -0.275 0.000 2.473 1045 D HA 0.176 4.813 4.640 -0.003 0.000 0.226 1045 D C -1.570 174.465 176.300 -0.442 0.000 1.089 1045 D CA -2.404 51.334 54.000 -0.436 0.000 0.883 1045 D CB 1.539 42.228 40.800 -0.185 0.000 1.029 1045 D HN 0.320 nan 8.370 nan 0.000 0.517 1046 P HA -0.145 nan 4.420 nan 0.000 0.222 1046 P C 1.053 178.229 177.300 -0.207 0.000 1.147 1046 P CA 0.933 63.825 63.100 -0.346 0.000 0.790 1046 P CB 0.715 32.178 31.700 -0.395 0.000 0.780 1047 Q N -0.485 119.153 119.800 -0.270 0.000 2.033 1047 Q HA 0.009 4.347 4.340 -0.003 0.000 0.196 1047 Q C 2.384 178.417 176.000 0.055 0.000 0.970 1047 Q CA 0.813 56.587 55.803 -0.050 0.000 0.828 1047 Q CB -0.392 28.348 28.738 0.002 0.000 0.895 1047 Q HN 0.208 nan 8.270 nan 0.000 0.440 1048 I N 0.728 121.313 120.570 0.024 0.000 2.439 1048 I HA -0.238 3.930 4.170 -0.003 0.000 0.251 1048 I C 1.117 177.284 176.117 0.083 0.000 1.139 1048 I CA 0.930 62.270 61.300 0.066 0.000 1.438 1048 I CB 0.129 38.132 38.000 0.004 0.000 1.085 1048 I HN 0.178 nan 8.210 nan 0.000 0.427 1049 D N 0.035 120.471 120.400 0.061 0.000 2.097 1049 D HA -0.247 4.391 4.640 -0.003 0.000 0.197 1049 D C 1.832 178.187 176.300 0.092 0.000 0.984 1049 D CA 1.335 55.393 54.000 0.097 0.000 0.826 1049 D CB -0.392 40.446 40.800 0.064 0.000 0.973 1049 D HN 0.377 nan 8.370 nan 0.000 0.460 1050 Y N 1.686 121.981 120.300 -0.009 0.000 2.128 1050 Y HA -0.234 4.314 4.550 -0.003 0.000 0.284 1050 Y C 2.213 178.125 175.900 0.019 0.000 1.154 1050 Y CA 1.810 59.910 58.100 -0.000 0.000 1.149 1050 Y CB -0.592 37.861 38.460 -0.012 0.000 0.976 1050 Y HN -0.045 nan 8.280 nan 0.000 0.505 1051 A N 0.500 123.340 122.820 0.033 0.000 1.892 1051 A HA -0.233 4.085 4.320 -0.003 0.000 0.218 1051 A C 2.343 179.885 177.584 -0.072 0.000 1.188 1051 A CA 2.341 54.365 52.037 -0.022 0.000 0.631 1051 A CB -1.249 17.805 19.000 0.089 0.000 0.822 1051 A HN 0.580 nan 8.150 nan 0.000 0.447 1052 I N -0.215 120.339 120.570 -0.026 0.000 2.142 1052 I HA -0.236 3.932 4.170 -0.003 0.000 0.240 1052 I C 1.888 177.958 176.117 -0.079 0.000 1.078 1052 I CA 1.614 62.894 61.300 -0.034 0.000 1.343 1052 I CB -0.592 37.396 38.000 -0.020 0.000 1.046 1052 I HN 0.256 nan 8.210 nan 0.000 0.405 1053 D N 1.157 121.495 120.400 -0.102 0.000 2.178 1053 D HA -0.134 4.504 4.640 -0.003 0.000 0.201 1053 D C 2.231 178.422 176.300 -0.182 0.000 0.980 1053 D CA 1.505 55.435 54.000 -0.116 0.000 0.842 1053 D CB -0.165 40.585 40.800 -0.083 0.000 0.948 1053 D HN 0.366 nan 8.370 nan 0.000 0.472 1054 A N 0.738 123.362 122.820 -0.327 0.000 1.898 1054 A HA -0.091 4.227 4.320 -0.003 0.000 0.216 1054 A C 2.370 179.859 177.584 -0.158 0.000 1.181 1054 A CA 0.728 52.557 52.037 -0.347 0.000 0.620 1054 A CB -0.704 17.951 19.000 -0.574 0.000 0.819 1054 A HN 0.184 nan 8.150 nan 0.000 0.442 1055 L N -0.490 120.668 121.223 -0.108 0.000 2.056 1055 L HA -0.165 4.173 4.340 -0.003 0.000 0.207 1055 L C 2.449 179.301 176.870 -0.029 0.000 1.078 1055 L CA 1.220 56.037 54.840 -0.039 0.000 0.749 1055 L CB -0.480 41.575 42.059 -0.006 0.000 0.901 1055 L HN 0.406 nan 8.230 nan 0.000 0.433 1056 I N -0.251 120.294 120.570 -0.040 0.000 2.264 1056 I HA -0.310 3.858 4.170 -0.003 0.000 0.248 1056 I C 2.535 178.637 176.117 -0.026 0.000 1.111 1056 I CA 1.196 62.480 61.300 -0.028 0.000 1.382 1056 I CB -0.263 37.716 38.000 -0.036 0.000 1.060 1056 I HN 0.270 nan 8.210 nan 0.000 0.418 1057 E N 1.520 121.695 120.200 -0.042 0.000 2.051 1057 E HA -0.232 4.116 4.350 -0.003 0.000 0.192 1057 E C 1.978 178.567 176.600 -0.019 0.000 0.991 1057 E CA 1.584 57.965 56.400 -0.032 0.000 0.799 1057 E CB -0.087 29.586 29.700 -0.044 0.000 0.748 1057 E HN 0.441 nan 8.360 nan 0.000 0.449 1058 E N -0.794 119.395 120.200 -0.018 0.000 2.204 1058 E HA -0.104 4.244 4.350 -0.003 0.000 0.194 1058 E C 0.791 177.393 176.600 0.004 0.000 0.989 1058 E CA 0.358 56.755 56.400 -0.004 0.000 0.824 1058 E CB 0.065 29.765 29.700 0.001 0.000 0.756 1058 E HN 0.183 nan 8.360 nan 0.000 0.477 1059 L N 0.817 122.043 121.223 0.005 0.000 2.672 1059 L HA 0.032 4.370 4.340 -0.003 0.000 0.236 1059 L C 1.558 178.432 176.870 0.007 0.000 1.186 1059 L CA 0.588 55.436 54.840 0.012 0.000 0.977 1059 L CB -0.065 42.005 42.059 0.019 0.000 1.203 1059 L HN -0.071 nan 8.230 nan 0.000 0.448 1060 R N -0.848 119.654 120.500 0.003 0.000 2.223 1060 R HA 0.191 4.529 4.340 -0.003 0.000 0.198 1060 R C 0.536 176.839 176.300 0.003 0.000 0.984 1060 R CA 0.013 56.114 56.100 0.001 0.000 1.018 1060 R CB -0.157 30.142 30.300 -0.002 0.000 0.945 1060 R HN 0.417 nan 8.270 nan 0.000 0.479 1061 N N 0.000 118.703 118.700 0.006 0.000 1.763 1061 N HA 0.000 4.738 4.740 -0.003 0.000 0.220 1061 N CA 0.000 53.054 53.050 0.007 0.000 0.885 1061 N CB 0.000 38.492 38.487 0.009 0.000 1.341 1061 N HN 0.000 nan 8.380 nan 0.000 0.667