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 1n6f_1_B 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 0.000 176.271 176.300 -0.049 0.000 1.140 39 M CA 0.000 55.272 55.300 -0.047 0.000 0.988 39 M CB 0.000 32.570 32.600 -0.050 0.000 1.302 40 P HA 0.453 nan 4.420 nan 0.000 0.297 40 P C -1.351 175.906 177.300 -0.071 0.000 1.307 40 P CA -0.287 62.769 63.100 -0.074 0.000 0.773 40 P CB 0.766 32.414 31.700 -0.088 0.000 1.265 41 N N -1.299 117.344 118.700 -0.095 0.000 2.604 41 N HA 0.506 5.511 4.740 0.441 0.000 0.297 41 N C -0.929 174.529 175.510 -0.087 0.000 1.266 41 N CA -0.577 52.425 53.050 -0.080 0.000 0.961 41 N CB 0.211 38.632 38.487 -0.110 0.000 1.166 41 N HN 0.252 nan 8.380 nan 0.000 0.601 42 L N 1.352 122.541 121.223 -0.057 0.000 2.295 42 L HA 0.482 5.087 4.340 0.441 0.000 0.281 42 L C -1.551 175.292 176.870 -0.044 0.000 1.018 42 L CA -0.226 54.576 54.840 -0.062 0.000 0.841 42 L CB 0.086 42.120 42.059 -0.041 0.000 1.218 42 L HN 0.350 nan 8.230 nan 0.000 0.424 43 L N 6.177 127.348 121.223 -0.086 0.000 2.343 43 L HA 0.729 5.334 4.340 0.441 0.000 0.275 43 L C -0.397 176.466 176.870 -0.012 0.000 1.056 43 L CA -0.834 53.976 54.840 -0.050 0.000 0.804 43 L CB 1.439 43.334 42.059 -0.274 0.000 1.203 43 L HN 0.646 nan 8.230 nan 0.000 0.440 44 L N -0.903 120.370 121.223 0.082 0.000 2.838 44 L HA 0.464 5.069 4.340 0.441 0.000 0.266 44 L C -0.775 176.123 176.870 0.047 0.000 1.040 44 L CA -1.178 53.699 54.840 0.062 0.000 0.906 44 L CB 1.791 43.884 42.059 0.056 0.000 1.501 44 L HN 0.657 nan 8.230 nan 0.000 0.407 45 N N -0.112 118.543 118.700 -0.075 0.000 2.642 45 N HA -0.144 4.861 4.740 0.441 0.000 0.269 45 N C -2.568 172.777 175.510 -0.275 0.000 1.073 45 N CA 0.308 53.002 53.050 -0.594 0.000 0.748 45 N CB -1.114 36.923 38.487 -0.750 0.000 0.894 45 N HN 0.622 nan 8.380 nan 0.000 0.548 46 P HA 0.368 nan 4.420 nan 0.000 0.280 46 P C -0.700 176.829 177.300 0.382 0.000 1.272 46 P CA 0.173 63.434 63.100 0.268 0.000 0.819 46 P CB 1.485 33.325 31.700 0.233 0.000 1.122 47 D N -0.641 119.986 120.400 0.379 0.000 2.753 47 D HA 0.562 5.467 4.640 0.441 0.000 0.224 47 D C -1.515 175.106 176.300 0.536 0.000 1.213 47 D CA -0.583 53.682 54.000 0.442 0.000 0.833 47 D CB 1.617 42.658 40.800 0.402 0.000 1.607 47 D HN 0.259 nan 8.370 nan 0.000 0.463 48 I N 1.638 122.512 120.570 0.506 0.000 2.785 48 I HA 0.588 5.023 4.170 0.441 0.000 0.302 48 I C -1.650 174.611 176.117 0.240 0.000 1.069 48 I CA -0.808 60.724 61.300 0.386 0.000 1.045 48 I CB 1.888 40.029 38.000 0.236 0.000 1.236 48 I HN 0.561 nan 8.210 nan 0.000 0.429 49 H N 5.058 124.038 119.070 -0.150 0.000 3.006 49 H HA 0.463 5.284 4.556 0.441 0.000 0.304 49 H C -0.108 175.074 175.328 -0.244 0.000 1.403 49 H CA 0.484 56.308 56.048 -0.374 0.000 1.615 49 H CB 0.457 29.584 29.762 -1.059 0.000 1.935 49 H HN 0.942 nan 8.280 nan 0.000 0.626 50 G N 3.198 111.806 108.800 -0.319 0.000 2.559 50 G HA2 -0.339 3.886 3.960 0.441 0.000 0.282 50 G HA3 -0.339 3.886 3.960 0.441 0.000 0.282 50 G C 0.658 175.520 174.900 -0.063 0.000 1.177 50 G CA 0.483 45.460 45.100 -0.204 0.000 0.960 50 G HN 0.548 nan 8.290 nan 0.000 0.540 51 D N 1.628 122.015 120.400 -0.022 0.000 2.379 51 D HA 0.131 5.035 4.640 0.441 0.000 0.208 51 D C 1.143 177.493 176.300 0.084 0.000 1.065 51 D CA 0.105 54.123 54.000 0.031 0.000 0.848 51 D CB 0.300 41.111 40.800 0.018 0.000 0.949 51 D HN 0.301 nan 8.370 nan 0.000 0.509 52 R N 0.826 121.381 120.500 0.092 0.000 2.410 52 R HA 0.560 5.165 4.340 0.441 0.000 0.288 52 R C -0.022 176.467 176.300 0.315 0.000 1.051 52 R CA -0.155 56.059 56.100 0.190 0.000 1.021 52 R CB 1.857 32.265 30.300 0.180 0.000 1.032 52 R HN -0.064 nan 8.270 nan 0.000 0.481 53 I N 4.900 125.731 120.570 0.435 0.000 2.500 53 I HA 0.300 4.735 4.170 0.441 0.000 0.286 53 I C 0.114 176.575 176.117 0.572 0.000 1.063 53 I CA -0.727 60.877 61.300 0.507 0.000 1.062 53 I CB 1.720 39.954 38.000 0.390 0.000 1.223 53 I HN 0.506 nan 8.210 nan 0.000 0.435 54 I N 4.192 125.066 120.570 0.506 0.000 2.488 54 I HA 0.781 5.216 4.170 0.441 0.000 0.299 54 I C -0.865 175.443 176.117 0.317 0.000 0.984 54 I CA -0.326 61.121 61.300 0.245 0.000 1.250 54 I CB 1.487 39.427 38.000 -0.100 0.000 1.389 54 I HN 0.513 nan 8.210 nan 0.000 0.488 55 F N 2.674 122.698 119.950 0.123 0.000 2.779 55 F HA 0.777 5.569 4.527 0.441 0.000 0.316 55 F C -1.630 174.238 175.800 0.113 0.000 1.164 55 F CA -1.221 56.825 58.000 0.077 0.000 0.924 55 F CB 0.891 39.911 39.000 0.032 0.000 1.348 55 F HN 0.216 nan 8.300 nan 0.000 0.467 56 V N 1.373 121.420 119.914 0.221 0.000 2.472 56 V HA 0.584 4.969 4.120 0.441 0.000 0.290 56 V C -0.697 175.547 176.094 0.251 0.000 1.037 56 V CA -0.575 61.833 62.300 0.180 0.000 0.908 56 V CB 1.228 33.153 31.823 0.170 0.000 0.985 56 V HN 1.027 nan 8.190 nan 0.000 0.454 57 C N 4.876 124.319 119.300 0.239 0.000 2.642 57 C HA 0.514 5.239 4.460 0.441 0.000 0.344 57 C C 0.589 175.765 174.990 0.309 0.000 1.110 57 C CA -0.550 58.554 59.018 0.144 0.000 1.298 57 C CB -0.271 27.275 27.740 -0.324 0.000 1.827 57 C HN 1.159 nan 8.230 nan 0.000 0.467 58 C N 6.017 125.455 119.300 0.230 0.000 4.167 58 C HA -0.102 4.623 4.460 0.441 0.000 0.302 58 C C 0.739 175.873 174.990 0.240 0.000 1.384 58 C CA 1.481 60.644 59.018 0.241 0.000 2.041 58 C CB -2.644 25.249 27.740 0.255 0.000 1.303 58 C HN 1.145 nan 8.230 nan 0.000 0.718 59 D N -1.982 118.570 120.400 0.253 0.000 3.006 59 D HA -0.151 4.754 4.640 0.441 0.000 0.208 59 D C -0.075 176.286 176.300 0.102 0.000 1.116 59 D CA 2.223 56.331 54.000 0.180 0.000 0.998 59 D CB -0.663 40.221 40.800 0.141 0.000 1.124 59 D HN 0.718 nan 8.370 nan 0.000 0.413 60 D N -0.291 120.198 120.400 0.148 0.000 2.385 60 D HA 0.467 5.372 4.640 0.441 0.000 0.254 60 D C 0.399 176.728 176.300 0.049 0.000 1.053 60 D CA -0.591 53.425 54.000 0.026 0.000 0.992 60 D CB 1.056 41.815 40.800 -0.068 0.000 1.145 60 D HN -0.035 nan 8.370 nan 0.000 0.523 61 L N 1.459 122.593 121.223 -0.149 0.000 2.264 61 L HA 0.344 4.949 4.340 0.441 0.000 0.289 61 L C -1.228 175.459 176.870 -0.306 0.000 1.044 61 L CA -0.441 54.295 54.840 -0.172 0.000 0.807 61 L CB 0.418 42.335 42.059 -0.237 0.000 1.192 61 L HN 0.337 nan 8.230 nan 0.000 0.425 62 W N 3.444 124.416 121.300 -0.548 0.000 2.820 62 W HA 0.536 5.461 4.660 0.441 0.000 0.350 62 W C -0.340 175.849 176.519 -0.550 0.000 1.116 62 W CA -0.515 56.468 57.345 -0.602 0.000 1.146 62 W CB 1.173 30.123 29.460 -0.851 0.000 1.433 62 W HN 0.348 nan 8.180 nan 0.000 0.561 63 E N 1.422 121.650 120.200 0.047 0.000 2.272 63 E HA 0.239 4.854 4.350 0.441 0.000 0.269 63 E C -1.574 175.253 176.600 0.378 0.000 0.877 63 E CA -0.589 55.928 56.400 0.196 0.000 0.755 63 E CB 1.620 31.424 29.700 0.173 0.000 1.192 63 E HN 0.535 nan 8.360 nan 0.000 0.422 64 H N 3.198 122.489 119.070 0.369 0.000 2.679 64 H HA 0.270 5.090 4.556 0.441 0.000 0.360 64 H C -1.726 173.737 175.328 0.225 0.000 1.105 64 H CA -0.643 55.597 56.048 0.320 0.000 1.196 64 H CB 1.984 31.974 29.762 0.381 0.000 1.636 64 H HN 0.627 nan 8.280 nan 0.000 0.531 65 D N 4.445 124.621 120.400 -0.374 0.000 2.359 65 D HA 0.156 5.060 4.640 0.441 0.000 0.230 65 D C 1.160 177.277 176.300 -0.305 0.000 1.118 65 D CA -0.444 53.434 54.000 -0.204 0.000 0.844 65 D CB 0.909 41.636 40.800 -0.122 0.000 1.059 65 D HN 0.545 nan 8.370 nan 0.000 0.493 66 L N 3.451 124.669 121.223 -0.008 0.000 2.079 66 L HA -0.137 4.468 4.340 0.441 0.000 0.210 66 L C 2.351 179.236 176.870 0.025 0.000 1.081 66 L CA 1.071 55.966 54.840 0.093 0.000 0.752 66 L CB -0.325 41.800 42.059 0.109 0.000 0.896 66 L HN 0.506 nan 8.230 nan 0.000 0.433 67 K N 0.275 120.671 120.400 -0.006 0.000 1.965 67 K HA -0.190 4.395 4.320 0.441 0.000 0.214 67 K C 2.381 178.969 176.600 -0.019 0.000 1.042 67 K CA 1.939 58.222 56.287 -0.006 0.000 0.950 67 K CB -0.157 32.340 32.500 -0.006 0.000 0.733 67 K HN 0.298 nan 8.250 nan 0.000 0.441 68 S N -0.907 114.769 115.700 -0.040 0.000 2.382 68 S HA -0.016 4.719 4.470 0.441 0.000 0.228 68 S C 1.519 176.091 174.600 -0.047 0.000 1.027 68 S CA 1.152 59.330 58.200 -0.037 0.000 0.991 68 S CB -0.423 62.756 63.200 -0.035 0.000 0.823 68 S HN 0.714 nan 8.310 nan 0.000 0.469 69 G N 0.995 109.720 108.800 -0.125 0.000 2.141 69 G HA2 -0.236 3.989 3.960 0.441 0.000 0.242 69 G HA3 -0.236 3.989 3.960 0.441 0.000 0.242 69 G C 0.096 174.948 174.900 -0.080 0.000 0.982 69 G CA 0.297 45.349 45.100 -0.080 0.000 0.662 69 G HN 1.474 nan 8.290 nan 0.000 0.527 70 S N -0.085 115.527 115.700 -0.146 0.000 2.554 70 S HA 0.788 5.523 4.470 0.441 0.000 0.278 70 S C 0.046 174.663 174.600 0.029 0.000 1.242 70 S CA 0.605 58.796 58.200 -0.015 0.000 1.051 70 S CB 2.099 65.304 63.200 0.009 0.000 0.986 70 S HN 0.728 nan 8.310 nan 0.000 0.502 71 T N 3.128 117.807 114.554 0.210 0.000 2.863 71 T HA 0.784 5.399 4.350 0.441 0.000 0.285 71 T C -0.494 174.425 174.700 0.366 0.000 1.009 71 T CA -0.998 61.321 62.100 0.365 0.000 0.989 71 T CB 1.219 70.370 68.868 0.471 0.000 1.004 71 T HN 0.942 nan 8.240 nan 0.000 0.455 72 R N 0.311 121.044 120.500 0.387 0.000 2.643 72 R HA 0.573 5.178 4.340 0.441 0.000 0.269 72 R C -1.384 174.895 176.300 -0.035 0.000 1.037 72 R CA -1.226 55.001 56.100 0.212 0.000 0.894 72 R CB 1.639 31.985 30.300 0.076 0.000 1.238 72 R HN 0.469 nan 8.270 nan 0.000 0.459 73 K N 3.274 123.309 120.400 -0.609 0.000 2.312 73 K HA 0.193 4.778 4.320 0.441 0.000 0.287 73 K C 0.681 176.949 176.600 -0.554 0.000 1.062 73 K CA -0.498 55.133 56.287 -1.092 0.000 0.934 73 K CB 0.612 32.189 32.500 -1.538 0.000 1.027 73 K HN 0.790 nan 8.250 nan 0.000 0.478 74 I N 1.767 122.045 120.570 -0.486 0.000 3.645 74 I HA 0.129 4.564 4.170 0.441 0.000 0.300 74 I C 0.086 175.846 176.117 -0.594 0.000 1.260 74 I CA -0.329 60.704 61.300 -0.444 0.000 1.365 74 I CB 0.674 38.398 38.000 -0.460 0.000 1.077 74 I HN 0.235 nan 8.210 nan 0.000 0.439 75 V N 1.271 120.865 119.914 -0.533 0.000 2.852 75 V HA 0.690 5.075 4.120 0.441 0.000 0.300 75 V C -0.914 174.979 176.094 -0.334 0.000 1.205 75 V CA 0.356 62.400 62.300 -0.427 0.000 0.940 75 V CB 1.979 33.513 31.823 -0.482 0.000 1.047 75 V HN 0.498 nan 8.190 nan 0.000 0.429 76 S N 3.843 119.392 115.700 -0.253 0.000 2.705 76 S HA 0.645 5.379 4.470 0.441 0.000 0.280 76 S C -0.012 174.497 174.600 -0.152 0.000 1.174 76 S CA 0.004 58.083 58.200 -0.202 0.000 0.823 76 S CB 1.536 64.611 63.200 -0.209 0.000 1.162 76 S HN 2.203 nan 8.310 nan 0.000 0.487 77 N N -0.694 117.935 118.700 -0.118 0.000 2.725 77 N HA -0.135 4.870 4.740 0.441 0.000 0.249 77 N C -0.005 175.432 175.510 -0.122 0.000 1.103 77 N CA 1.052 54.044 53.050 -0.097 0.000 0.707 77 N CB -1.636 36.802 38.487 -0.081 0.000 1.043 77 N HN 0.678 nan 8.380 nan 0.000 0.553 78 L N -2.217 118.912 121.223 -0.156 0.000 2.609 78 L HA 0.410 5.014 4.340 0.441 0.000 0.230 78 L C 1.482 178.249 176.870 -0.171 0.000 1.087 78 L CA 0.667 55.374 54.840 -0.221 0.000 0.874 78 L CB 0.021 41.880 42.059 -0.334 0.000 1.114 78 L HN 0.513 nan 8.230 nan 0.000 0.488 79 G N -0.387 108.341 108.800 -0.120 0.000 2.255 79 G HA2 -0.118 4.106 3.960 0.441 0.000 0.216 79 G HA3 -0.118 4.106 3.960 0.441 0.000 0.216 79 G C -1.145 173.712 174.900 -0.070 0.000 1.307 79 G CA -0.407 44.640 45.100 -0.088 0.000 1.162 79 G HN -0.252 nan 8.290 nan 0.000 0.494 80 V N 1.462 121.327 119.914 -0.081 0.000 2.333 80 V HA 0.542 4.926 4.120 0.441 0.000 0.274 80 V C 0.466 176.457 176.094 -0.171 0.000 1.028 80 V CA -0.332 61.883 62.300 -0.142 0.000 0.851 80 V CB 0.922 32.602 31.823 -0.237 0.000 1.000 80 V HN 0.564 nan 8.190 nan 0.000 0.456 81 I N 5.063 125.561 120.570 -0.120 0.000 2.342 81 I HA 0.317 4.752 4.170 0.441 0.000 0.291 81 I C 1.003 177.088 176.117 -0.054 0.000 1.010 81 I CA 0.029 61.286 61.300 -0.071 0.000 1.308 81 I CB 1.024 38.999 38.000 -0.041 0.000 1.400 81 I HN 0.856 nan 8.210 nan 0.000 0.488 82 N N 3.243 121.931 118.700 -0.020 0.000 2.193 82 N HA 0.109 5.114 4.740 0.441 0.000 0.210 82 N C -0.031 175.559 175.510 0.133 0.000 1.215 82 N CA -0.429 52.670 53.050 0.082 0.000 0.901 82 N CB 0.497 39.030 38.487 0.076 0.000 1.060 82 N HN 0.512 nan 8.380 nan 0.000 0.508 83 N N 0.299 119.074 118.700 0.125 0.000 2.369 83 N HA 0.588 5.592 4.740 0.441 0.000 0.287 83 N C -2.142 173.462 175.510 0.158 0.000 1.067 83 N CA -0.454 52.718 53.050 0.204 0.000 0.888 83 N CB 2.314 40.957 38.487 0.260 0.000 1.616 83 N HN 0.314 nan 8.380 nan 0.000 0.482 84 A N 2.792 125.718 122.820 0.176 0.000 2.381 84 A HA 0.797 5.382 4.320 0.441 0.000 0.299 84 A C -1.122 176.556 177.584 0.156 0.000 1.049 84 A CA -0.711 51.397 52.037 0.118 0.000 0.715 84 A CB 1.193 20.203 19.000 0.017 0.000 1.222 84 A HN 0.501 nan 8.150 nan 0.000 0.428 85 R N 1.588 122.191 120.500 0.171 0.000 2.513 85 R HA 0.400 5.005 4.340 0.441 0.000 0.301 85 R C -1.467 174.969 176.300 0.227 0.000 0.968 85 R CA -0.459 55.787 56.100 0.243 0.000 0.872 85 R CB 1.285 31.784 30.300 0.331 0.000 1.177 85 R HN 0.702 nan 8.270 nan 0.000 0.444 86 F N 2.380 122.459 119.950 0.215 0.000 2.484 86 F HA 0.154 4.946 4.527 0.442 0.000 0.360 86 F C 0.946 176.653 175.800 -0.155 0.000 1.101 86 F CA 0.116 58.177 58.000 0.101 0.000 1.251 86 F CB 0.489 39.541 39.000 0.086 0.000 1.132 86 F HN 0.348 nan 8.300 nan 0.000 0.570 87 F N 5.043 124.919 119.950 -0.123 0.000 2.373 87 F HA 0.157 4.949 4.527 0.441 0.000 0.302 87 F C -0.862 174.649 175.800 -0.483 0.000 1.247 87 F CA -1.435 56.182 58.000 -0.638 0.000 1.169 87 F CB -0.143 38.640 39.000 -0.362 0.000 1.309 87 F HN 0.304 nan 8.300 nan 0.000 0.537 88 P HA -0.196 nan 4.420 nan 0.000 0.213 88 P C 0.714 178.012 177.300 -0.003 0.000 1.170 88 P CA 1.985 65.023 63.100 -0.103 0.000 0.898 88 P CB -0.263 31.396 31.700 -0.069 0.000 0.787 89 D N -0.708 119.672 120.400 -0.032 0.000 2.403 89 D HA -0.042 4.863 4.640 0.441 0.000 0.227 89 D C 1.504 177.680 176.300 -0.207 0.000 0.995 89 D CA 1.038 55.008 54.000 -0.051 0.000 0.928 89 D CB -1.453 39.308 40.800 -0.065 0.000 0.887 89 D HN 0.369 nan 8.370 nan 0.000 0.529 90 G N 0.520 109.028 108.800 -0.487 0.000 2.180 90 G HA2 -0.392 3.833 3.960 0.441 0.000 0.263 90 G HA3 -0.392 3.833 3.960 0.441 0.000 0.263 90 G C 1.230 175.947 174.900 -0.304 0.000 0.989 90 G CA 0.693 45.163 45.100 -1.051 0.000 0.692 90 G HN 0.340 nan 8.290 nan 0.000 0.526 91 R N 0.027 120.439 120.500 -0.146 0.000 2.039 91 R HA 0.222 4.827 4.340 0.441 0.000 0.218 91 R C 1.533 177.777 176.300 -0.093 0.000 1.220 91 R CA 0.801 56.839 56.100 -0.104 0.000 0.993 91 R CB -0.487 29.719 30.300 -0.156 0.000 0.881 91 R HN 0.422 nan 8.270 nan 0.000 0.450 92 K N 0.920 121.181 120.400 -0.232 0.000 2.102 92 K HA 0.412 4.997 4.320 0.441 0.000 0.244 92 K C -0.067 176.596 176.600 0.105 0.000 1.021 92 K CA -0.154 55.930 56.287 -0.337 0.000 0.913 92 K CB 0.753 32.610 32.500 -1.071 0.000 1.062 92 K HN 0.010 nan 8.250 nan 0.000 0.485 93 I N 0.860 121.555 120.570 0.209 0.000 2.571 93 I HA 0.207 4.642 4.170 0.441 0.000 0.289 93 I C -0.766 175.678 176.117 0.546 0.000 1.115 93 I CA -0.822 60.715 61.300 0.396 0.000 1.045 93 I CB 2.083 40.203 38.000 0.201 0.000 1.238 93 I HN 0.548 nan 8.210 nan 0.000 0.424 94 A N 7.597 130.789 122.820 0.619 0.000 2.328 94 A HA 0.840 5.425 4.320 0.441 0.000 0.284 94 A C -0.552 177.250 177.584 0.364 0.000 1.160 94 A CA -0.090 52.330 52.037 0.639 0.000 0.818 94 A CB 0.264 19.565 19.000 0.502 0.000 1.087 94 A HN 0.658 nan 8.150 nan 0.000 0.504 95 I N 1.494 122.259 120.570 0.325 0.000 2.608 95 I HA 0.481 4.916 4.170 0.441 0.000 0.295 95 I C 0.200 176.408 176.117 0.152 0.000 1.049 95 I CA -0.569 60.850 61.300 0.199 0.000 1.063 95 I CB 2.218 40.316 38.000 0.163 0.000 1.248 95 I HN 0.774 nan 8.210 nan 0.000 0.424 96 R N 4.922 125.483 120.500 0.102 0.000 2.338 96 R HA 0.763 5.368 4.340 0.441 0.000 0.317 96 R C -1.761 174.564 176.300 0.043 0.000 0.968 96 R CA -0.473 55.666 56.100 0.064 0.000 0.849 96 R CB 1.869 32.204 30.300 0.058 0.000 1.128 96 R HN 0.516 nan 8.270 nan 0.000 0.448 97 V N 5.940 125.888 119.914 0.057 0.000 2.789 97 V HA 0.519 4.904 4.120 0.441 0.000 0.311 97 V C -0.950 175.236 176.094 0.153 0.000 1.073 97 V CA -0.844 61.499 62.300 0.070 0.000 0.921 97 V CB 2.128 33.996 31.823 0.075 0.000 1.009 97 V HN 0.890 nan 8.190 nan 0.000 0.426 98 M N 6.252 125.892 119.600 0.066 0.000 2.404 98 M HA 0.659 5.404 4.480 0.441 0.000 0.338 98 M C -0.201 176.131 176.300 0.053 0.000 1.150 98 M CA -0.345 54.995 55.300 0.066 0.000 1.016 98 M CB 1.981 34.523 32.600 -0.097 0.000 1.672 98 M HN 0.628 nan 8.290 nan 0.000 0.448 99 R N 0.355 120.886 120.500 0.053 0.000 2.905 99 R HA 0.858 5.463 4.340 0.441 0.000 0.260 99 R C -0.794 175.464 176.300 -0.070 0.000 1.086 99 R CA -0.758 55.270 56.100 -0.119 0.000 0.978 99 R CB 2.345 32.349 30.300 -0.493 0.000 1.215 99 R HN 0.933 nan 8.270 nan 0.000 0.480 100 G N 0.106 108.855 108.800 -0.085 0.000 2.785 100 G HA2 -0.240 3.984 3.960 0.441 0.000 0.686 100 G HA3 -0.240 3.984 3.960 0.441 0.000 0.686 100 G C 0.370 175.275 174.900 0.009 0.000 1.155 100 G CA -0.049 45.028 45.100 -0.038 0.000 0.760 100 G HN 0.524 nan 8.290 nan 0.000 0.624 101 S N 0.220 115.936 115.700 0.026 0.000 2.389 101 S HA -0.163 4.572 4.470 0.441 0.000 0.231 101 S C 2.250 176.950 174.600 0.166 0.000 1.052 101 S CA 2.650 60.899 58.200 0.082 0.000 1.053 101 S CB -0.158 63.074 63.200 0.053 0.000 0.886 101 S HN 1.318 nan 8.310 nan 0.000 0.456 102 S N 0.469 116.235 115.700 0.110 0.000 2.582 102 S HA 0.447 5.182 4.470 0.441 0.000 0.234 102 S C 0.136 174.705 174.600 -0.052 0.000 0.961 102 S CA -0.186 58.087 58.200 0.122 0.000 0.953 102 S CB -0.158 63.088 63.200 0.076 0.000 0.800 102 S HN 0.567 nan 8.310 nan 0.000 0.471 103 L N 1.608 122.801 121.223 -0.050 0.000 3.597 103 L HA -0.290 4.315 4.340 0.441 0.000 0.440 103 L C 0.859 177.658 176.870 -0.117 0.000 1.277 103 L CA 0.457 55.224 54.840 -0.122 0.000 0.852 103 L CB -2.258 39.633 42.059 -0.280 0.000 1.708 103 L HN 0.525 nan 8.230 nan 0.000 0.885 104 N N -1.349 117.311 118.700 -0.068 0.000 2.424 104 N HA 0.011 5.016 4.740 0.441 0.000 0.178 104 N C 0.630 176.115 175.510 -0.042 0.000 1.060 104 N CA 0.580 53.587 53.050 -0.071 0.000 0.901 104 N CB 0.287 38.743 38.487 -0.051 0.000 0.979 104 N HN 0.578 nan 8.380 nan 0.000 0.451 105 T N -2.856 111.704 114.554 0.010 0.000 2.924 105 T HA 0.836 5.451 4.350 0.441 0.000 0.291 105 T C -0.752 174.046 174.700 0.163 0.000 1.045 105 T CA -0.801 61.351 62.100 0.087 0.000 1.015 105 T CB 2.173 71.138 68.868 0.162 0.000 1.103 105 T HN 0.216 nan 8.240 nan 0.000 0.496 106 A N 1.427 124.324 122.820 0.127 0.000 2.606 106 A HA 0.820 5.404 4.320 0.441 0.000 0.293 106 A C -1.663 175.750 177.584 -0.284 0.000 1.082 106 A CA -0.715 51.344 52.037 0.037 0.000 0.685 106 A CB 1.799 20.791 19.000 -0.013 0.000 1.284 106 A HN 0.851 nan 8.150 nan 0.000 0.408 107 D N -0.505 119.575 120.400 -0.533 0.000 2.639 107 D HA 0.530 5.435 4.640 0.441 0.000 0.271 107 D C -1.345 174.715 176.300 -0.401 0.000 1.254 107 D CA -0.222 53.353 54.000 -0.707 0.000 0.810 107 D CB 1.638 41.589 40.800 -1.415 0.000 1.351 107 D HN 0.479 nan 8.370 nan 0.000 0.427 108 L N 1.133 122.126 121.223 -0.384 0.000 2.325 108 L HA 0.537 5.142 4.340 0.441 0.000 0.278 108 L C -0.885 175.823 176.870 -0.271 0.000 1.023 108 L CA -0.717 54.011 54.840 -0.187 0.000 0.811 108 L CB 0.977 42.941 42.059 -0.158 0.000 1.249 108 L HN 0.268 nan 8.230 nan 0.000 0.431 109 Y N 1.073 121.292 120.300 -0.135 0.000 2.536 109 Y HA 0.513 5.328 4.550 0.441 0.000 0.347 109 Y C -0.549 175.448 175.900 0.163 0.000 1.000 109 Y CA -0.662 57.397 58.100 -0.068 0.000 1.051 109 Y CB 2.134 40.599 38.460 0.008 0.000 1.259 109 Y HN 0.289 nan 8.280 nan 0.000 0.468 110 F N 2.086 122.179 119.950 0.239 0.000 2.458 110 F HA 0.333 5.125 4.527 0.442 0.000 0.336 110 F C -0.936 175.004 175.800 0.233 0.000 1.114 110 F CA -1.051 57.079 58.000 0.217 0.000 0.987 110 F CB 1.371 40.436 39.000 0.108 0.000 1.130 110 F HN 0.416 nan 8.300 nan 0.000 0.458 111 Y N 3.974 124.438 120.300 0.273 0.000 2.393 111 Y HA 0.367 5.182 4.550 0.442 0.000 0.341 111 Y C -1.110 174.806 175.900 0.028 0.000 0.988 111 Y CA -1.317 56.856 58.100 0.122 0.000 1.078 111 Y CB 1.365 39.870 38.460 0.075 0.000 1.203 111 Y HN 0.506 nan 8.280 nan 0.000 0.453 112 N N 3.240 121.467 118.700 -0.788 0.000 2.518 112 N HA 0.269 5.274 4.740 0.441 0.000 0.254 112 N C 0.583 175.543 175.510 -0.916 0.000 0.979 112 N CA 0.082 52.742 53.050 -0.651 0.000 0.930 112 N CB 1.352 39.631 38.487 -0.346 0.000 1.152 112 N HN 0.945 nan 8.380 nan 0.000 0.505 113 G N 1.851 110.217 108.800 -0.724 0.000 2.708 113 G HA2 -0.198 4.026 3.960 0.441 0.000 0.210 113 G HA3 -0.198 4.026 3.960 0.441 0.000 0.210 113 G C 0.949 175.737 174.900 -0.186 0.000 1.141 113 G CA 0.372 45.249 45.100 -0.372 0.000 0.788 113 G HN 0.710 nan 8.290 nan 0.000 0.531 114 E N 1.413 121.488 120.200 -0.208 0.000 2.051 114 E HA -0.107 4.508 4.350 0.441 0.000 0.189 114 E C 1.798 178.336 176.600 -0.102 0.000 0.979 114 E CA 1.330 57.655 56.400 -0.125 0.000 0.803 114 E CB 0.041 29.666 29.700 -0.124 0.000 0.761 114 E HN 0.481 nan 8.360 nan 0.000 0.451 115 N N -1.303 117.319 118.700 -0.131 0.000 2.159 115 N HA 0.143 5.148 4.740 0.441 0.000 0.217 115 N C 0.811 176.281 175.510 -0.068 0.000 1.223 115 N CA 0.541 53.543 53.050 -0.081 0.000 0.896 115 N CB 0.805 39.250 38.487 -0.069 0.000 1.064 115 N HN 0.231 nan 8.380 nan 0.000 0.518 116 G N 0.459 109.185 108.800 -0.124 0.000 2.168 116 G HA2 -0.368 3.857 3.960 0.441 0.000 0.257 116 G HA3 -0.368 3.857 3.960 0.441 0.000 0.257 116 G C -0.296 174.625 174.900 0.035 0.000 0.997 116 G CA 0.465 45.562 45.100 -0.005 0.000 0.708 116 G HN 0.666 nan 8.290 nan 0.000 0.520 117 E N -0.369 119.787 120.200 -0.073 0.000 2.360 117 E HA 0.508 5.123 4.350 0.441 0.000 0.269 117 E C -0.154 176.502 176.600 0.093 0.000 1.022 117 E CA -0.713 55.692 56.400 0.007 0.000 0.887 117 E CB 0.463 30.149 29.700 -0.024 0.000 0.990 117 E HN 0.361 nan 8.360 nan 0.000 0.426 118 I N 3.781 124.451 120.570 0.166 0.000 2.569 118 I HA 0.436 4.871 4.170 0.441 0.000 0.296 118 I C -1.424 174.838 176.117 0.241 0.000 1.028 118 I CA -0.443 61.011 61.300 0.257 0.000 1.082 118 I CB 1.547 39.688 38.000 0.235 0.000 1.264 118 I HN 0.535 nan 8.210 nan 0.000 0.429 119 K N 5.952 126.533 120.400 0.302 0.000 2.557 119 K HA 0.417 5.002 4.320 0.441 0.000 0.257 119 K C -1.294 175.278 176.600 -0.046 0.000 0.933 119 K CA -0.832 55.557 56.287 0.171 0.000 0.820 119 K CB 1.611 34.181 32.500 0.116 0.000 1.330 119 K HN 0.715 nan 8.250 nan 0.000 0.432 120 R N 3.863 124.120 120.500 -0.405 0.000 2.340 120 R HA 0.191 4.796 4.340 0.441 0.000 0.300 120 R C 0.196 176.090 176.300 -0.677 0.000 1.069 120 R CA -0.053 55.352 56.100 -1.159 0.000 0.984 120 R CB 0.506 30.043 30.300 -1.273 0.000 1.003 120 R HN 0.593 nan 8.270 nan 0.000 0.459 121 I N 1.859 121.978 120.570 -0.750 0.000 3.172 121 I HA -0.004 4.431 4.170 0.441 0.000 0.278 121 I C 0.670 176.540 176.117 -0.411 0.000 1.174 121 I CA 0.843 61.819 61.300 -0.541 0.000 1.445 121 I CB 0.345 37.882 38.000 -0.772 0.000 1.175 121 I HN 0.717 nan 8.210 nan 0.000 0.447 122 T N -2.419 111.740 114.554 -0.658 0.000 2.855 122 T HA 0.479 5.094 4.350 0.441 0.000 0.281 122 T C -0.738 173.390 174.700 -0.954 0.000 1.007 122 T CA -0.306 61.289 62.100 -0.843 0.000 1.009 122 T CB 1.400 69.728 68.868 -0.900 0.000 0.983 122 T HN 0.037 nan 8.240 nan 0.000 0.455 123 Y N 1.254 121.060 120.300 -0.823 0.000 2.634 123 Y HA 0.415 5.229 4.550 0.441 0.000 0.292 123 Y C 0.555 176.284 175.900 -0.285 0.000 0.996 123 Y CA -1.495 56.361 58.100 -0.406 0.000 1.165 123 Y CB -0.199 38.156 38.460 -0.175 0.000 1.194 123 Y HN 0.762 nan 8.280 nan 0.000 0.585 124 F N -1.250 118.588 119.950 -0.187 0.000 2.473 124 F HA -0.023 4.769 4.527 0.441 0.000 0.294 124 F C 1.666 177.383 175.800 -0.139 0.000 1.103 124 F CA 0.515 58.388 58.000 -0.212 0.000 1.442 124 F CB 0.276 39.068 39.000 -0.347 0.000 1.097 124 F HN 0.122 nan 8.300 nan 0.000 0.547 125 S N 1.109 116.822 115.700 0.021 0.000 3.706 125 S HA -0.148 4.587 4.470 0.441 0.000 0.363 125 S C 0.535 175.150 174.600 0.025 0.000 0.999 125 S CA -0.030 58.197 58.200 0.044 0.000 1.143 125 S CB -1.675 61.587 63.200 0.105 0.000 0.902 125 S HN 0.618 nan 8.310 nan 0.000 0.476 126 G N 1.616 110.414 108.800 -0.004 0.000 2.321 126 G HA2 0.236 4.461 3.960 0.441 0.000 0.237 126 G HA3 0.236 4.461 3.960 0.441 0.000 0.237 126 G C -0.051 174.832 174.900 -0.030 0.000 1.282 126 G CA -0.141 44.944 45.100 -0.025 0.000 0.886 126 G HN 0.677 nan 8.290 nan 0.000 0.528 127 K N 0.783 121.151 120.400 -0.052 0.000 2.218 127 K HA 0.455 5.040 4.320 0.441 0.000 0.276 127 K C 0.345 176.866 176.600 -0.131 0.000 1.022 127 K CA -0.125 56.114 56.287 -0.081 0.000 0.946 127 K CB 1.235 33.675 32.500 -0.099 0.000 1.000 127 K HN 0.602 nan 8.250 nan 0.000 0.468 128 S N 0.872 116.472 115.700 -0.165 0.000 2.579 128 S HA 0.609 5.343 4.470 0.441 0.000 0.272 128 S C -0.607 173.827 174.600 -0.276 0.000 1.141 128 S CA -0.665 57.381 58.200 -0.256 0.000 0.843 128 S CB 1.842 64.931 63.200 -0.184 0.000 1.122 128 S HN 0.684 nan 8.310 nan 0.000 0.468 129 T N -1.365 112.974 114.554 -0.360 0.000 2.804 129 T HA 0.692 5.307 4.350 0.441 0.000 0.290 129 T C 1.353 175.864 174.700 -0.314 0.000 1.099 129 T CA -0.239 61.664 62.100 -0.328 0.000 1.011 129 T CB 0.729 69.367 68.868 -0.385 0.000 1.291 129 T HN 1.111 nan 8.240 nan 0.000 0.523 130 G N 0.601 109.236 108.800 -0.276 0.000 2.446 130 G HA2 -0.177 4.047 3.960 0.441 0.000 0.217 130 G HA3 -0.177 4.047 3.960 0.441 0.000 0.217 130 G C 1.457 176.229 174.900 -0.214 0.000 1.168 130 G CA 0.891 45.867 45.100 -0.207 0.000 0.771 130 G HN 0.948 nan 8.290 nan 0.000 0.551 131 R N -0.432 119.865 120.500 -0.338 0.000 2.297 131 R HA 0.272 4.877 4.340 0.441 0.000 0.197 131 R C 0.607 176.660 176.300 -0.411 0.000 0.943 131 R CA 0.010 55.918 56.100 -0.321 0.000 1.038 131 R CB 0.221 30.172 30.300 -0.583 0.000 0.957 131 R HN 0.137 nan 8.270 nan 0.000 0.484 132 R N 1.404 121.544 120.500 -0.599 0.000 2.681 132 R HA 0.320 4.925 4.340 0.441 0.000 0.277 132 R C -0.501 175.247 176.300 -0.920 0.000 1.563 132 R CA -0.214 55.256 56.100 -1.051 0.000 1.673 132 R CB 1.130 30.526 30.300 -1.507 0.000 1.258 132 R HN 0.091 nan 8.270 nan 0.000 0.650 133 M N 2.435 121.779 119.600 -0.426 0.000 3.596 133 M HA 0.174 4.918 4.480 0.441 0.000 0.212 133 M C -0.231 176.090 176.300 0.035 0.000 1.519 133 M CA 0.660 55.850 55.300 -0.184 0.000 1.670 133 M CB -0.620 31.943 32.600 -0.063 0.000 1.113 133 M HN 0.267 nan 8.290 nan 0.000 0.565 134 F N 0.567 120.406 119.950 -0.186 0.000 2.426 134 F HA 0.109 4.901 4.527 0.442 0.000 0.309 134 F C 1.355 177.086 175.800 -0.115 0.000 1.246 134 F CA -0.540 57.367 58.000 -0.155 0.000 1.229 134 F CB 0.491 39.386 39.000 -0.175 0.000 1.255 134 F HN 0.382 nan 8.300 nan 0.000 0.558 135 T N 1.187 115.795 114.554 0.090 0.000 2.923 135 T HA -0.169 4.446 4.350 0.441 0.000 0.463 135 T C -0.974 173.731 174.700 0.010 0.000 0.780 135 T CA 0.208 62.314 62.100 0.010 0.000 2.436 135 T CB -1.025 67.841 68.868 -0.003 0.000 1.675 135 T HN 0.669 nan 8.240 nan 0.000 0.598 136 D N -0.131 120.270 120.400 0.002 0.000 2.752 136 D HA 0.573 5.478 4.640 0.441 0.000 0.313 136 D C -0.446 175.842 176.300 -0.020 0.000 1.225 136 D CA -0.594 53.410 54.000 0.007 0.000 0.976 136 D CB 1.655 42.472 40.800 0.029 0.000 1.443 136 D HN 0.219 nan 8.370 nan 0.000 0.515 137 V N 1.397 121.297 119.914 -0.024 0.000 2.555 137 V HA 0.497 4.882 4.120 0.441 0.000 0.286 137 V C 1.106 177.119 176.094 -0.135 0.000 1.044 137 V CA 0.610 62.857 62.300 -0.088 0.000 1.026 137 V CB 0.934 32.710 31.823 -0.077 0.000 0.981 137 V HN 0.717 nan 8.190 nan 0.000 0.480 138 A N 3.619 126.342 122.820 -0.162 0.000 1.973 138 A HA 0.707 5.292 4.320 0.441 0.000 0.210 138 A C 1.022 178.542 177.584 -0.107 0.000 1.200 138 A CA 0.922 52.874 52.037 -0.141 0.000 0.707 138 A CB 0.117 19.066 19.000 -0.084 0.000 0.862 138 A HN 1.346 nan 8.150 nan 0.000 0.461 139 G N -2.199 106.476 108.800 -0.208 0.000 2.333 139 G HA2 0.425 4.650 3.960 0.441 0.000 0.288 139 G HA3 0.425 4.650 3.960 0.441 0.000 0.288 139 G C -1.735 172.909 174.900 -0.426 0.000 1.286 139 G CA -0.735 44.288 45.100 -0.129 0.000 0.865 139 G HN 0.262 nan 8.290 nan 0.000 0.506 140 F N 1.572 121.601 119.950 0.132 0.000 2.547 140 F HA 0.468 5.260 4.527 0.442 0.000 0.316 140 F C 0.111 175.873 175.800 -0.064 0.000 1.121 140 F CA -0.644 57.375 58.000 0.031 0.000 0.911 140 F CB 2.215 41.198 39.000 -0.028 0.000 1.179 140 F HN 0.654 nan 8.300 nan 0.000 0.443 141 D N 2.840 123.192 120.400 -0.080 0.000 2.371 141 D HA 0.169 5.074 4.640 0.441 0.000 0.242 141 D C -2.104 173.919 176.300 -0.462 0.000 1.218 141 D CA -1.932 51.651 54.000 -0.695 0.000 0.945 141 D CB 0.288 40.833 40.800 -0.425 0.000 1.137 141 D HN 0.176 nan 8.370 nan 0.000 0.464 142 P HA -0.110 nan 4.420 nan 0.000 0.216 142 P C 0.258 177.504 177.300 -0.091 0.000 1.150 142 P CA 1.234 64.199 63.100 -0.226 0.000 0.843 142 P CB 0.079 31.677 31.700 -0.170 0.000 0.787 143 D N -1.989 118.364 120.400 -0.078 0.000 2.378 143 D HA 0.115 5.020 4.640 0.441 0.000 0.227 143 D C 1.445 177.764 176.300 0.032 0.000 1.012 143 D CA 1.135 55.129 54.000 -0.010 0.000 0.905 143 D CB -0.716 40.087 40.800 0.005 0.000 0.895 143 D HN 0.137 nan 8.370 nan 0.000 0.532 144 G N 0.365 109.193 108.800 0.047 0.000 2.132 144 G HA2 -0.294 3.931 3.960 0.441 0.000 0.234 144 G HA3 -0.294 3.931 3.960 0.441 0.000 0.234 144 G C -0.034 175.029 174.900 0.272 0.000 0.989 144 G CA -0.358 44.817 45.100 0.126 0.000 0.676 144 G HN 0.345 nan 8.290 nan 0.000 0.522 145 N N -0.418 118.419 118.700 0.229 0.000 2.509 145 N HA 0.591 5.596 4.740 0.441 0.000 0.287 145 N C 0.096 175.785 175.510 0.298 0.000 1.121 145 N CA -0.674 52.545 53.050 0.282 0.000 0.977 145 N CB 1.502 40.087 38.487 0.163 0.000 1.167 145 N HN 0.301 nan 8.380 nan 0.000 0.476 146 L N 2.820 124.219 121.223 0.293 0.000 2.416 146 L HA 0.329 4.934 4.340 0.441 0.000 0.272 146 L C -1.032 175.807 176.870 -0.051 0.000 1.161 146 L CA 0.282 55.073 54.840 -0.082 0.000 0.845 146 L CB 0.149 42.276 42.059 0.113 0.000 1.119 146 L HN 0.439 nan 8.230 nan 0.000 0.464 147 I N 6.954 127.400 120.570 -0.206 0.000 2.382 147 I HA 0.342 4.777 4.170 0.441 0.000 0.286 147 I C 0.121 176.199 176.117 -0.064 0.000 1.002 147 I CA -0.410 60.870 61.300 -0.033 0.000 1.135 147 I CB 1.104 39.125 38.000 0.034 0.000 1.288 147 I HN 0.670 nan 8.210 nan 0.000 0.448 148 I N 2.039 122.640 120.570 0.052 0.000 2.822 148 I HA 0.701 5.136 4.170 0.441 0.000 0.312 148 I C 0.017 176.164 176.117 0.051 0.000 1.011 148 I CA -0.563 60.760 61.300 0.039 0.000 1.105 148 I CB 2.169 40.228 38.000 0.098 0.000 1.291 148 I HN 0.490 nan 8.210 nan 0.000 0.474 149 S N 2.283 117.979 115.700 -0.007 0.000 2.640 149 S HA 0.609 5.343 4.470 0.441 0.000 0.320 149 S C -0.615 173.942 174.600 -0.073 0.000 1.097 149 S CA -0.253 57.916 58.200 -0.053 0.000 1.092 149 S CB 0.823 63.955 63.200 -0.113 0.000 0.988 149 S HN 0.941 nan 8.310 nan 0.000 0.470 150 T N 1.971 116.482 114.554 -0.072 0.000 2.868 150 T HA 0.440 5.055 4.350 0.441 0.000 0.306 150 T C -0.809 173.773 174.700 -0.197 0.000 1.224 150 T CA -0.608 61.399 62.100 -0.155 0.000 1.012 150 T CB 1.464 70.186 68.868 -0.243 0.000 1.221 150 T HN 0.708 nan 8.240 nan 0.000 0.499 151 D N 1.421 121.687 120.400 -0.225 0.000 2.431 151 D HA 0.210 5.115 4.640 0.441 0.000 0.213 151 D C 1.673 177.801 176.300 -0.287 0.000 1.130 151 D CA 0.161 54.018 54.000 -0.238 0.000 0.834 151 D CB 0.028 40.719 40.800 -0.182 0.000 0.985 151 D HN 0.515 nan 8.370 nan 0.000 0.504 152 A N 1.065 123.655 122.820 -0.382 0.000 1.927 152 A HA -0.171 4.413 4.320 0.441 0.000 0.220 152 A C 1.784 179.098 177.584 -0.450 0.000 1.185 152 A CA 1.386 53.159 52.037 -0.440 0.000 0.639 152 A CB -0.415 18.159 19.000 -0.710 0.000 0.820 152 A HN 0.203 nan 8.150 nan 0.000 0.451 153 M N 0.100 119.394 119.600 -0.511 0.000 2.738 153 M HA 0.255 5.000 4.480 0.441 0.000 0.295 153 M C -0.402 175.706 176.300 -0.320 0.000 1.266 153 M CA 0.263 55.318 55.300 -0.409 0.000 0.985 153 M CB 0.789 33.149 32.600 -0.400 0.000 1.365 153 M HN 0.216 nan 8.290 nan 0.000 0.492 154 Q N -0.042 119.563 119.800 -0.324 0.000 2.399 154 Q HA 0.502 5.107 4.340 0.441 0.000 0.276 154 Q C -1.871 173.876 176.000 -0.421 0.000 1.098 154 Q CA -1.802 53.803 55.803 -0.329 0.000 0.827 154 Q CB 1.332 29.889 28.738 -0.303 0.000 1.386 154 Q HN -0.033 nan 8.270 nan 0.000 0.443 155 P HA -0.032 nan 4.420 nan 0.000 0.218 155 P C -0.202 176.472 177.300 -1.043 0.000 1.152 155 P CA 1.151 63.762 63.100 -0.815 0.000 0.826 155 P CB 0.348 31.395 31.700 -1.089 0.000 0.790 156 F N 0.114 119.709 119.950 -0.591 0.000 2.480 156 F HA 0.274 5.066 4.527 0.441 0.000 0.329 156 F C 2.081 177.620 175.800 -0.436 0.000 1.091 156 F CA -0.681 56.967 58.000 -0.587 0.000 0.972 156 F CB 1.107 39.485 39.000 -1.037 0.000 1.150 156 F HN -0.224 nan 8.300 nan 0.000 0.467 157 S N -0.133 115.507 115.700 -0.100 0.000 2.368 157 S HA -0.183 4.552 4.470 0.441 0.000 0.225 157 S C 1.874 176.505 174.600 0.052 0.000 1.030 157 S CA 1.705 59.909 58.200 0.006 0.000 0.999 157 S CB -0.658 62.565 63.200 0.040 0.000 0.844 157 S HN 0.572 nan 8.310 nan 0.000 0.459 158 S N 1.264 116.930 115.700 -0.058 0.000 2.465 158 S HA 0.172 4.907 4.470 0.441 0.000 0.241 158 S C 1.005 175.291 174.600 -0.524 0.000 1.000 158 S CA 0.784 58.789 58.200 -0.324 0.000 0.964 158 S CB -0.557 62.240 63.200 -0.670 0.000 0.763 158 S HN 0.558 nan 8.310 nan 0.000 0.512 159 M N 2.908 122.249 119.600 -0.432 0.000 3.706 159 M HA 0.021 4.766 4.480 0.441 0.000 0.204 159 M C 0.168 176.235 176.300 -0.387 0.000 1.455 159 M CA 0.035 55.094 55.300 -0.402 0.000 1.659 159 M CB -0.539 31.823 32.600 -0.395 0.000 1.076 159 M HN 0.096 nan 8.290 nan 0.000 0.577 160 T N -1.489 112.782 114.554 -0.471 0.000 3.474 160 T HA 0.190 4.805 4.350 0.441 0.000 0.270 160 T C 0.270 174.769 174.700 -0.335 0.000 1.079 160 T CA -0.713 61.117 62.100 -0.451 0.000 1.110 160 T CB -0.847 67.618 68.868 -0.672 0.000 1.087 160 T HN 0.391 nan 8.240 nan 0.000 0.784 161 C N 3.822 122.948 119.300 -0.291 0.000 2.657 161 C HA 0.380 5.105 4.460 0.441 0.000 0.404 161 C C 1.052 175.841 174.990 -0.335 0.000 1.291 161 C CA -1.011 57.791 59.018 -0.361 0.000 2.218 161 C CB -0.371 27.112 27.740 -0.427 0.000 2.687 161 C HN 0.769 nan 8.230 nan 0.000 0.634 162 L N 2.833 123.810 121.223 -0.411 0.000 2.326 162 L HA 0.416 5.021 4.340 0.441 0.000 0.278 162 L C -0.777 175.860 176.870 -0.388 0.000 1.092 162 L CA 0.030 54.709 54.840 -0.269 0.000 0.810 162 L CB 0.162 42.110 42.059 -0.185 0.000 1.153 162 L HN 0.635 nan 8.230 nan 0.000 0.439 163 Y N 1.319 121.614 120.300 -0.009 0.000 2.524 163 Y HA 0.462 5.276 4.550 0.441 0.000 0.347 163 Y C -0.178 175.794 175.900 0.120 0.000 1.005 163 Y CA -0.897 57.247 58.100 0.073 0.000 1.025 163 Y CB 2.024 40.550 38.460 0.110 0.000 1.275 163 Y HN 0.456 nan 8.280 nan 0.000 0.460 164 R N 1.943 122.626 120.500 0.304 0.000 2.255 164 R HA 0.641 5.246 4.340 0.441 0.000 0.326 164 R C -1.604 174.816 176.300 0.201 0.000 0.986 164 R CA -0.503 55.724 56.100 0.210 0.000 0.847 164 R CB 0.677 31.071 30.300 0.156 0.000 1.111 164 R HN 0.566 nan 8.270 nan 0.000 0.452 165 V N 4.549 124.565 119.914 0.171 0.000 2.572 165 V HA 0.130 4.514 4.120 0.441 0.000 0.291 165 V C 0.190 176.286 176.094 0.002 0.000 1.039 165 V CA 0.279 62.606 62.300 0.045 0.000 1.055 165 V CB 1.031 32.946 31.823 0.153 0.000 0.969 165 V HN 0.834 nan 8.190 nan 0.000 0.482 166 E N 3.659 123.763 120.200 -0.160 0.000 2.266 166 E HA 0.389 5.004 4.350 0.441 0.000 0.268 166 E C -0.400 176.150 176.600 -0.083 0.000 0.879 166 E CA -0.843 55.518 56.400 -0.065 0.000 0.762 166 E CB 1.349 31.021 29.700 -0.047 0.000 1.199 166 E HN 0.716 nan 8.360 nan 0.000 0.422 167 N N 3.236 121.933 118.700 -0.006 0.000 2.725 167 N HA -0.188 4.817 4.740 0.441 0.000 0.251 167 N C -0.960 174.552 175.510 0.004 0.000 1.031 167 N CA 1.083 54.132 53.050 -0.002 0.000 0.720 167 N CB -0.859 37.610 38.487 -0.030 0.000 0.930 167 N HN 0.758 nan 8.380 nan 0.000 0.543 168 D N -1.709 118.731 120.400 0.067 0.000 2.911 168 D HA -0.191 4.714 4.640 0.441 0.000 0.227 168 D C 1.144 177.375 176.300 -0.115 0.000 1.164 168 D CA 2.332 56.363 54.000 0.052 0.000 0.782 168 D CB -1.436 39.416 40.800 0.087 0.000 1.094 168 D HN 0.940 nan 8.370 nan 0.000 0.425 169 G N -1.371 107.306 108.800 -0.206 0.000 2.168 169 G HA2 -0.283 3.942 3.960 0.441 0.000 0.197 169 G HA3 -0.283 3.942 3.960 0.441 0.000 0.197 169 G C 0.994 175.797 174.900 -0.163 0.000 0.997 169 G CA 0.163 45.082 45.100 -0.301 0.000 0.658 169 G HN 0.365 nan 8.290 nan 0.000 0.513 170 I N 0.633 121.150 120.570 -0.089 0.000 2.202 170 I HA 0.067 4.502 4.170 0.441 0.000 0.242 170 I C 1.204 177.470 176.117 0.248 0.000 1.091 170 I CA 1.692 63.062 61.300 0.117 0.000 1.368 170 I CB -0.639 37.377 38.000 0.027 0.000 1.058 170 I HN 0.443 nan 8.210 nan 0.000 0.410 171 N N -0.719 117.949 118.700 -0.053 0.000 2.284 171 N HA 0.418 5.422 4.740 0.441 0.000 0.289 171 N C -1.629 173.678 175.510 -0.338 0.000 1.179 171 N CA -0.439 52.653 53.050 0.071 0.000 0.774 171 N CB 1.583 40.133 38.487 0.104 0.000 1.548 171 N HN -0.186 nan 8.380 nan 0.000 0.473 172 F N 1.137 121.227 119.950 0.233 0.000 2.536 172 F HA 0.448 5.240 4.527 0.442 0.000 0.322 172 F C -0.535 175.416 175.800 0.253 0.000 1.144 172 F CA -0.847 57.264 58.000 0.185 0.000 0.924 172 F CB 1.814 40.841 39.000 0.045 0.000 1.181 172 F HN 0.055 nan 8.300 nan 0.000 0.438 173 V N 5.327 125.461 119.914 0.368 0.000 2.370 173 V HA 0.394 4.778 4.120 0.441 0.000 0.279 173 V C -2.061 174.212 176.094 0.299 0.000 1.029 173 V CA -1.956 60.520 62.300 0.295 0.000 0.870 173 V CB 1.359 33.290 31.823 0.180 0.000 0.984 173 V HN 0.458 nan 8.190 nan 0.000 0.451 174 P HA 0.204 nan 4.420 nan 0.000 0.276 174 P C 0.360 177.612 177.300 -0.079 0.000 1.230 174 P CA -0.069 62.983 63.100 -0.080 0.000 0.776 174 P CB 1.371 33.018 31.700 -0.087 0.000 0.888 175 L N 1.840 122.963 121.223 -0.167 0.000 2.592 175 L HA 0.056 4.661 4.340 0.441 0.000 0.227 175 L C 0.345 177.155 176.870 -0.100 0.000 1.127 175 L CA 0.133 54.929 54.840 -0.074 0.000 0.884 175 L CB -1.086 40.943 42.059 -0.050 0.000 1.065 175 L HN 0.426 nan 8.230 nan 0.000 0.457 176 N N 0.516 119.114 118.700 -0.171 0.000 2.702 176 N HA -0.229 4.776 4.740 0.441 0.000 0.255 176 N C 0.457 175.886 175.510 -0.135 0.000 0.983 176 N CA 0.294 53.263 53.050 -0.134 0.000 0.768 176 N CB -0.971 37.500 38.487 -0.027 0.000 0.918 176 N HN 0.345 nan 8.380 nan 0.000 0.540 177 L N -0.936 120.127 121.223 -0.267 0.000 2.693 177 L HA 0.324 4.929 4.340 0.441 0.000 0.235 177 L C 1.386 177.920 176.870 -0.560 0.000 1.127 177 L CA 0.287 54.925 54.840 -0.336 0.000 0.914 177 L CB 0.007 41.868 42.059 -0.330 0.000 1.193 177 L HN 0.497 nan 8.230 nan 0.000 0.502 178 G N 1.077 109.361 108.800 -0.860 0.000 2.710 178 G HA2 -0.160 4.065 3.960 0.441 0.000 0.668 178 G HA3 -0.160 4.065 3.960 0.441 0.000 0.668 178 G C -2.791 171.596 174.900 -0.855 0.000 1.320 178 G CA -0.982 43.155 45.100 -1.606 0.000 0.860 178 G HN -0.025 nan 8.290 nan 0.000 0.538 179 P HA 0.459 nan 4.420 nan 0.000 0.265 179 P C -0.090 177.032 177.300 -0.297 0.000 1.193 179 P CA 1.127 63.983 63.100 -0.406 0.000 0.765 179 P CB 1.182 32.722 31.700 -0.268 0.000 0.823 180 A N 2.511 125.191 122.820 -0.234 0.000 2.594 180 A HA 0.577 5.162 4.320 0.441 0.000 0.295 180 A C 0.571 178.107 177.584 -0.080 0.000 1.071 180 A CA -0.354 51.601 52.037 -0.136 0.000 0.685 180 A CB 0.997 19.904 19.000 -0.154 0.000 1.285 180 A HN 0.388 nan 8.150 nan 0.000 0.405 181 T N 0.197 114.768 114.554 0.029 0.000 3.018 181 T HA 0.243 4.858 4.350 0.441 0.000 0.246 181 T C 0.012 174.671 174.700 -0.068 0.000 1.026 181 T CA 1.227 63.364 62.100 0.062 0.000 1.081 181 T CB -0.169 68.867 68.868 0.281 0.000 0.970 181 T HN 0.722 nan 8.240 nan 0.000 0.475 182 H N -0.441 118.642 119.070 0.021 0.000 2.768 182 H HA 0.701 5.521 4.556 0.441 0.000 0.371 182 H C -1.398 173.937 175.328 0.012 0.000 1.151 182 H CA -1.010 55.057 56.048 0.032 0.000 1.165 182 H CB 1.882 31.676 29.762 0.052 0.000 1.722 182 H HN 0.051 nan 8.280 nan 0.000 0.543 183 I N 3.058 123.710 120.570 0.138 0.000 2.500 183 I HA 0.401 4.836 4.170 0.441 0.000 0.286 183 I C -1.873 174.305 176.117 0.102 0.000 1.063 183 I CA -0.275 61.059 61.300 0.058 0.000 1.062 183 I CB 0.606 38.633 38.000 0.046 0.000 1.223 183 I HN 0.484 nan 8.210 nan 0.000 0.435 184 L N 6.648 127.871 121.223 -0.000 0.000 2.341 184 L HA 0.611 5.216 4.340 0.441 0.000 0.267 184 L C -1.329 175.470 176.870 -0.119 0.000 1.009 184 L CA -0.750 54.150 54.840 0.101 0.000 0.819 184 L CB 1.912 44.052 42.059 0.135 0.000 1.323 184 L HN 0.387 nan 8.230 nan 0.000 0.425 185 F N 1.080 121.106 119.950 0.126 0.000 2.449 185 F HA 0.671 5.463 4.527 0.441 0.000 0.342 185 F C 0.181 176.026 175.800 0.076 0.000 1.127 185 F CA -0.586 57.478 58.000 0.107 0.000 0.975 185 F CB 1.948 41.014 39.000 0.110 0.000 1.146 185 F HN 0.392 nan 8.300 nan 0.000 0.444 186 A N 2.719 125.634 122.820 0.158 0.000 2.332 186 A HA 0.568 5.153 4.320 0.441 0.000 0.300 186 A C -0.389 177.257 177.584 0.103 0.000 1.153 186 A CA -0.721 51.368 52.037 0.087 0.000 0.764 186 A CB 0.378 19.394 19.000 0.027 0.000 1.174 186 A HN 0.852 nan 8.150 nan 0.000 0.467 187 D N 2.140 122.607 120.400 0.111 0.000 2.708 187 D HA -0.229 4.676 4.640 0.441 0.000 0.236 187 D C 1.117 177.493 176.300 0.127 0.000 1.146 187 D CA 2.177 56.258 54.000 0.134 0.000 0.662 187 D CB -1.347 39.552 40.800 0.166 0.000 1.059 187 D HN 1.998 nan 8.370 nan 0.000 0.428 188 G N -0.311 108.585 108.800 0.160 0.000 2.184 188 G HA2 -0.384 3.841 3.960 0.441 0.000 0.264 188 G HA3 -0.384 3.841 3.960 0.441 0.000 0.264 188 G C 0.383 175.380 174.900 0.161 0.000 0.975 188 G CA 0.666 45.870 45.100 0.173 0.000 0.642 188 G HN 0.530 nan 8.290 nan 0.000 0.536 189 R N 0.121 120.692 120.500 0.118 0.000 2.486 189 R HA 0.561 5.166 4.340 0.441 0.000 0.286 189 R C 0.205 176.493 176.300 -0.021 0.000 0.999 189 R CA -0.776 55.343 56.100 0.031 0.000 0.993 189 R CB 0.949 31.252 30.300 0.005 0.000 1.084 189 R HN 0.213 nan 8.270 nan 0.000 0.487 190 R N 1.472 121.916 120.500 -0.093 0.000 2.229 190 R HA 0.296 4.901 4.340 0.441 0.000 0.328 190 R C -0.578 175.708 176.300 -0.023 0.000 1.009 190 R CA -0.577 55.403 56.100 -0.201 0.000 0.864 190 R CB 1.319 31.618 30.300 -0.001 0.000 1.085 190 R HN 0.242 nan 8.270 nan 0.000 0.453 191 V N 5.654 125.509 119.914 -0.099 0.000 2.427 191 V HA 0.421 4.806 4.120 0.441 0.000 0.286 191 V C 0.283 176.411 176.094 0.057 0.000 1.034 191 V CA -0.573 61.753 62.300 0.043 0.000 0.893 191 V CB 1.585 33.428 31.823 0.034 0.000 0.982 191 V HN 0.636 nan 8.190 nan 0.000 0.452 192 I N 3.656 124.317 120.570 0.151 0.000 2.436 192 I HA 0.552 4.987 4.170 0.441 0.000 0.289 192 I C 0.622 176.813 176.117 0.123 0.000 1.010 192 I CA -0.385 60.973 61.300 0.097 0.000 1.098 192 I CB 1.979 39.990 38.000 0.019 0.000 1.266 192 I HN 0.729 nan 8.210 nan 0.000 0.434 193 G N 6.050 114.908 108.800 0.097 0.000 2.347 193 G HA2 0.502 4.727 3.960 0.441 0.000 0.314 193 G HA3 0.502 4.727 3.960 0.441 0.000 0.314 193 G C -0.391 174.562 174.900 0.088 0.000 1.126 193 G CA -0.556 44.594 45.100 0.085 0.000 0.929 193 G HN 0.542 nan 8.290 nan 0.000 0.441 194 R N 2.135 122.678 120.500 0.073 0.000 2.229 194 R HA 0.199 4.804 4.340 0.441 0.000 0.328 194 R C 0.231 176.553 176.300 0.036 0.000 1.009 194 R CA -0.391 55.746 56.100 0.062 0.000 0.864 194 R CB 0.597 30.951 30.300 0.090 0.000 1.085 194 R HN 0.868 nan 8.270 nan 0.000 0.453 195 N N 0.397 119.121 118.700 0.040 0.000 2.735 195 N HA -0.187 4.818 4.740 0.441 0.000 0.248 195 N C -0.288 174.956 175.510 -0.444 0.000 1.083 195 N CA 0.885 53.824 53.050 -0.186 0.000 0.703 195 N CB -0.856 37.633 38.487 0.004 0.000 1.005 195 N HN 0.671 nan 8.380 nan 0.000 0.550 196 T N -2.093 112.354 114.554 -0.178 0.000 3.330 196 T HA 0.305 4.920 4.350 0.441 0.000 0.249 196 T C 0.264 175.016 174.700 0.088 0.000 0.980 196 T CA -0.632 61.391 62.100 -0.130 0.000 0.920 196 T CB -0.712 68.084 68.868 -0.121 0.000 1.065 196 T HN 0.351 nan 8.240 nan 0.000 0.588 197 F N -0.015 120.169 119.950 0.390 0.000 2.378 197 F HA 0.732 5.524 4.527 0.441 0.000 0.325 197 F C 0.310 176.362 175.800 0.420 0.000 1.097 197 F CA -1.962 56.266 58.000 0.380 0.000 1.079 197 F CB 0.497 39.691 39.000 0.323 0.000 1.240 197 F HN -0.179 nan 8.300 nan 0.000 0.519 198 E N 1.435 121.990 120.200 0.591 0.000 2.415 198 E HA 0.143 4.758 4.350 0.441 0.000 0.262 198 E C -0.363 176.533 176.600 0.494 0.000 1.038 198 E CA 0.170 56.861 56.400 0.486 0.000 0.921 198 E CB 0.923 30.855 29.700 0.387 0.000 0.950 198 E HN 0.681 nan 8.360 nan 0.000 0.438 199 L N 4.313 125.719 121.223 0.305 0.000 2.732 199 L HA 0.145 4.749 4.340 0.441 0.000 0.246 199 L C -1.442 175.424 176.870 -0.007 0.000 1.407 199 L CA -1.274 53.616 54.840 0.083 0.000 0.861 199 L CB 0.986 42.891 42.059 -0.256 0.000 1.161 199 L HN 0.257 nan 8.230 nan 0.000 0.510 200 P HA -0.227 nan 4.420 nan 0.000 0.216 200 P C 1.257 178.585 177.300 0.048 0.000 1.150 200 P CA 1.522 64.660 63.100 0.064 0.000 0.837 200 P CB -0.132 31.649 31.700 0.135 0.000 0.786 201 H N -3.943 115.206 119.070 0.132 0.000 2.545 201 H HA -0.053 4.768 4.556 0.441 0.000 0.282 201 H C 0.057 175.526 175.328 0.235 0.000 1.020 201 H CA 0.367 56.507 56.048 0.153 0.000 1.243 201 H CB -0.559 29.312 29.762 0.182 0.000 1.377 201 H HN 0.215 nan 8.280 nan 0.000 0.581 202 W N 3.014 124.068 121.300 -0.410 0.000 2.162 202 W HA 0.351 5.277 4.660 0.442 0.000 0.292 202 W C -0.991 175.460 176.519 -0.114 0.000 0.998 202 W CA -1.961 55.252 57.345 -0.221 0.000 1.570 202 W CB 0.454 29.721 29.460 -0.320 0.000 1.644 202 W HN -0.143 nan 8.180 nan 0.000 0.360 203 K N 1.078 121.618 120.400 0.233 0.000 2.355 203 K HA 0.424 5.009 4.320 0.441 0.000 0.270 203 K C 1.140 177.883 176.600 0.237 0.000 1.003 203 K CA 0.791 57.150 56.287 0.120 0.000 0.957 203 K CB 0.620 33.090 32.500 -0.051 0.000 0.939 203 K HN 0.555 nan 8.250 nan 0.000 0.482 204 G N 1.655 110.562 108.800 0.179 0.000 2.143 204 G HA2 -0.317 3.908 3.960 0.441 0.000 0.248 204 G HA3 -0.317 3.908 3.960 0.441 0.000 0.248 204 G C -0.284 174.601 174.900 -0.025 0.000 0.991 204 G CA 0.128 45.306 45.100 0.130 0.000 0.689 204 G HN 0.657 nan 8.290 nan 0.000 0.522 205 Y N 1.240 121.304 120.300 -0.393 0.000 2.717 205 Y HA 0.394 5.209 4.550 0.441 0.000 0.330 205 Y C 1.371 177.009 175.900 -0.437 0.000 1.217 205 Y CA 0.180 57.772 58.100 -0.847 0.000 1.506 205 Y CB 0.403 38.192 38.460 -1.118 0.000 1.268 205 Y HN 0.245 nan 8.280 nan 0.000 0.561 206 R N 3.818 123.702 120.500 -1.025 0.000 2.590 206 R HA 0.275 4.880 4.340 0.441 0.000 0.410 206 R C 0.652 176.436 176.300 -0.860 0.000 1.010 206 R CA 0.093 55.764 56.100 -0.715 0.000 1.155 206 R CB 0.526 30.666 30.300 -0.268 0.000 1.455 206 R HN 0.801 nan 8.270 nan 0.000 0.567 207 G N -0.481 107.308 108.800 -1.684 0.000 2.588 207 G HA2 0.264 4.489 3.960 0.441 0.000 0.278 207 G HA3 0.264 4.489 3.960 0.441 0.000 0.278 207 G C 0.961 175.551 174.900 -0.517 0.000 1.307 207 G CA -0.139 44.425 45.100 -0.892 0.000 1.016 207 G HN 0.158 nan 8.290 nan 0.000 0.503 208 G N -1.580 107.092 108.800 -0.214 0.000 2.498 208 G HA2 -0.033 4.192 3.960 0.441 0.000 0.219 208 G HA3 -0.033 4.192 3.960 0.441 0.000 0.219 208 G C 1.218 176.115 174.900 -0.006 0.000 1.119 208 G CA 1.413 46.437 45.100 -0.127 0.000 0.766 208 G HN 0.591 nan 8.290 nan 0.000 0.552 209 T N 0.759 115.448 114.554 0.224 0.000 3.122 209 T HA 0.157 4.772 4.350 0.441 0.000 0.250 209 T C 1.071 175.970 174.700 0.331 0.000 1.067 209 T CA -0.604 61.651 62.100 0.257 0.000 0.966 209 T CB 0.015 69.158 68.868 0.458 0.000 1.002 209 T HN 0.560 nan 8.240 nan 0.000 0.542 210 R N 1.383 122.064 120.500 0.301 0.000 2.756 210 R HA 0.364 4.968 4.340 0.441 0.000 0.264 210 R C 0.577 176.998 176.300 0.202 0.000 1.026 210 R CA -0.390 55.904 56.100 0.323 0.000 1.121 210 R CB -0.012 30.280 30.300 -0.014 0.000 0.999 210 R HN 0.114 nan 8.270 nan 0.000 0.449 211 G N 1.947 110.889 108.800 0.237 0.000 2.353 211 G HA2 0.131 4.356 3.960 0.441 0.000 0.239 211 G HA3 0.131 4.356 3.960 0.441 0.000 0.239 211 G C -0.693 174.110 174.900 -0.162 0.000 1.295 211 G CA -0.475 44.551 45.100 -0.124 0.000 0.884 211 G HN 0.581 nan 8.290 nan 0.000 0.537 212 K N 1.145 121.486 120.400 -0.097 0.000 2.477 212 K HA 0.504 5.089 4.320 0.441 0.000 0.255 212 K C -0.951 175.639 176.600 -0.016 0.000 0.952 212 K CA -0.769 55.466 56.287 -0.087 0.000 0.826 212 K CB 2.711 35.223 32.500 0.021 0.000 1.331 212 K HN 0.372 nan 8.250 nan 0.000 0.437 213 I N 1.388 121.907 120.570 -0.085 0.000 2.436 213 I HA 0.396 4.831 4.170 0.441 0.000 0.289 213 I C -1.072 175.069 176.117 0.040 0.000 1.010 213 I CA -0.767 60.540 61.300 0.011 0.000 1.098 213 I CB 1.002 38.947 38.000 -0.092 0.000 1.266 213 I HN 0.406 nan 8.210 nan 0.000 0.434 214 W N 6.423 127.734 121.300 0.017 0.000 2.576 214 W HA 0.776 5.700 4.660 0.441 0.000 0.360 214 W C -0.386 176.222 176.519 0.148 0.000 1.109 214 W CA -0.586 56.819 57.345 0.100 0.000 1.237 214 W CB 1.257 30.807 29.460 0.150 0.000 1.369 214 W HN 0.223 nan 8.180 nan 0.000 0.609 215 I N 0.503 121.323 120.570 0.417 0.000 2.827 215 I HA 0.220 4.654 4.170 0.441 0.000 0.298 215 I C -0.712 175.435 176.117 0.050 0.000 1.235 215 I CA -0.927 60.508 61.300 0.224 0.000 1.021 215 I CB 1.943 39.996 38.000 0.089 0.000 1.259 215 I HN 0.410 nan 8.210 nan 0.000 0.427 216 E N 4.072 124.112 120.200 -0.268 0.000 2.343 216 E HA 0.381 4.996 4.350 0.441 0.000 0.269 216 E C -0.190 176.239 176.600 -0.284 0.000 1.047 216 E CA -0.110 55.878 56.400 -0.686 0.000 0.874 216 E CB 1.270 30.511 29.700 -0.765 0.000 1.033 216 E HN 0.494 nan 8.360 nan 0.000 0.409 217 V N 0.615 120.380 119.914 -0.249 0.000 3.359 217 V HA 0.191 4.575 4.120 0.441 0.000 0.204 217 V C 1.077 177.113 176.094 -0.097 0.000 1.410 217 V CA 0.186 62.416 62.300 -0.118 0.000 1.303 217 V CB -0.334 31.450 31.823 -0.065 0.000 1.198 217 V HN 0.577 nan 8.190 nan 0.000 0.531 218 N N 1.256 119.891 118.700 -0.109 0.000 2.416 218 N HA 0.137 5.142 4.740 0.441 0.000 0.215 218 N C 0.599 176.071 175.510 -0.064 0.000 1.208 218 N CA 0.846 53.853 53.050 -0.072 0.000 0.834 218 N CB -0.482 37.964 38.487 -0.069 0.000 1.072 218 N HN 0.563 nan 8.380 nan 0.000 0.472 219 S N -2.420 113.234 115.700 -0.078 0.000 3.270 219 S HA -0.182 4.552 4.470 0.441 0.000 0.293 219 S C 0.900 175.481 174.600 -0.032 0.000 1.278 219 S CA 1.138 59.311 58.200 -0.045 0.000 1.038 219 S CB -1.566 61.629 63.200 -0.008 0.000 1.218 219 S HN 0.759 nan 8.310 nan 0.000 0.659 220 G N -1.267 107.490 108.800 -0.071 0.000 4.476 220 G HA2 0.476 4.701 3.960 0.441 0.000 0.169 220 G HA3 0.476 4.701 3.960 0.441 0.000 0.169 220 G C -0.218 174.711 174.900 0.049 0.000 0.802 220 G CA 0.531 45.643 45.100 0.021 0.000 0.782 220 G HN 1.129 nan 8.290 nan 0.000 0.461 221 A N 0.185 122.944 122.820 -0.102 0.000 2.320 221 A HA 0.893 5.478 4.320 0.441 0.000 0.334 221 A C -1.286 176.229 177.584 -0.115 0.000 1.147 221 A CA -0.505 51.481 52.037 -0.085 0.000 0.820 221 A CB 1.166 20.046 19.000 -0.201 0.000 1.218 221 A HN 0.203 nan 8.150 nan 0.000 0.482 222 F N 0.373 120.489 119.950 0.277 0.000 2.538 222 F HA 0.647 5.439 4.527 0.442 0.000 0.325 222 F C 0.384 176.485 175.800 0.501 0.000 1.066 222 F CA -0.477 57.773 58.000 0.416 0.000 0.946 222 F CB 2.295 41.584 39.000 0.482 0.000 1.199 222 F HN 0.577 nan 8.300 nan 0.000 0.473 223 K N 2.384 123.098 120.400 0.524 0.000 2.427 223 K HA 0.361 4.946 4.320 0.441 0.000 0.252 223 K C -1.161 175.378 176.600 -0.101 0.000 0.931 223 K CA -0.858 55.563 56.287 0.223 0.000 0.793 223 K CB 1.890 34.429 32.500 0.064 0.000 1.211 223 K HN 0.669 nan 8.250 nan 0.000 0.426 224 K N 5.071 124.985 120.400 -0.809 0.000 2.416 224 K HA 0.099 4.684 4.320 0.441 0.000 0.283 224 K C 0.812 177.089 176.600 -0.539 0.000 1.037 224 K CA 0.044 55.574 56.287 -1.262 0.000 0.995 224 K CB 0.282 31.839 32.500 -1.572 0.000 0.938 224 K HN 0.698 nan 8.250 nan 0.000 0.475 225 I N 0.717 121.058 120.570 -0.380 0.000 4.323 225 I HA 0.175 4.610 4.170 0.441 0.000 0.328 225 I C -0.691 175.306 176.117 -0.200 0.000 1.310 225 I CA -0.555 60.617 61.300 -0.212 0.000 1.186 225 I CB 1.106 39.044 38.000 -0.104 0.000 1.130 225 I HN 0.062 nan 8.210 nan 0.000 0.411 226 V N 2.715 122.474 119.914 -0.258 0.000 2.462 226 V HA 0.435 4.819 4.120 0.441 0.000 0.288 226 V C -1.430 174.490 176.094 -0.291 0.000 1.020 226 V CA -0.215 61.921 62.300 -0.273 0.000 0.857 226 V CB 1.379 32.979 31.823 -0.370 0.000 1.013 226 V HN 0.214 nan 8.190 nan 0.000 0.431 227 D N 4.937 125.190 120.400 -0.245 0.000 2.621 227 D HA 0.395 5.300 4.640 0.441 0.000 0.274 227 D C -0.104 176.090 176.300 -0.177 0.000 1.215 227 D CA -0.244 53.629 54.000 -0.211 0.000 0.810 227 D CB 0.835 41.514 40.800 -0.201 0.000 1.248 227 D HN 0.390 nan 8.370 nan 0.000 0.517 228 M N 0.023 119.505 119.600 -0.196 0.000 2.055 228 M HA 0.100 4.845 4.480 0.441 0.000 0.279 228 M C 2.035 178.253 176.300 -0.137 0.000 1.236 228 M CA -0.089 55.115 55.300 -0.160 0.000 1.074 228 M CB 0.989 33.479 32.600 -0.184 0.000 1.394 228 M HN 0.210 nan 8.290 nan 0.000 0.492 229 S N -1.364 114.270 115.700 -0.111 0.000 2.428 229 S HA -0.037 4.698 4.470 0.441 0.000 0.230 229 S C 0.825 175.348 174.600 -0.128 0.000 1.014 229 S CA 0.931 59.074 58.200 -0.096 0.000 0.957 229 S CB -0.727 62.436 63.200 -0.062 0.000 0.784 229 S HN 0.848 nan 8.310 nan 0.000 0.499 230 T N -1.089 113.392 114.554 -0.121 0.000 2.910 230 T HA 0.466 5.081 4.350 0.441 0.000 0.279 230 T C -0.295 174.359 174.700 -0.078 0.000 0.989 230 T CA -0.722 61.313 62.100 -0.108 0.000 0.968 230 T CB 0.558 69.398 68.868 -0.046 0.000 1.135 230 T HN 0.349 nan 8.240 nan 0.000 0.562 231 H N -0.693 118.307 119.070 -0.116 0.000 2.764 231 H HA 0.500 5.321 4.556 0.442 0.000 0.341 231 H C -0.873 174.417 175.328 -0.064 0.000 1.072 231 H CA -0.071 55.943 56.048 -0.057 0.000 1.444 231 H CB 0.198 29.993 29.762 0.055 0.000 1.458 231 H HN 0.475 nan 8.280 nan 0.000 0.572 232 V N 5.445 124.969 119.914 -0.650 0.000 2.495 232 V HA 0.425 4.810 4.120 0.441 0.000 0.298 232 V C -0.357 175.307 176.094 -0.717 0.000 1.031 232 V CA -0.192 61.768 62.300 -0.567 0.000 0.871 232 V CB 1.388 32.846 31.823 -0.608 0.000 0.988 232 V HN 1.026 nan 8.190 nan 0.000 0.432 233 S N 1.945 117.435 115.700 -0.350 0.000 2.661 233 S HA 0.638 5.373 4.470 0.441 0.000 0.285 233 S C -0.113 174.452 174.600 -0.058 0.000 1.138 233 S CA -0.361 57.722 58.200 -0.194 0.000 0.855 233 S CB 1.775 64.980 63.200 0.008 0.000 1.136 233 S HN 1.007 nan 8.310 nan 0.000 0.484 234 S N 1.900 117.559 115.700 -0.068 0.000 3.405 234 S HA -0.078 4.657 4.470 0.441 0.000 0.373 234 S C -2.232 172.332 174.600 -0.061 0.000 0.939 234 S CA 0.707 58.886 58.200 -0.034 0.000 1.295 234 S CB -1.838 61.442 63.200 0.134 0.000 0.919 234 S HN 0.772 nan 8.310 nan 0.000 0.535 235 P HA 0.511 nan 4.420 nan 0.000 0.275 235 P C -0.058 177.295 177.300 0.088 0.000 1.228 235 P CA -0.284 62.803 63.100 -0.020 0.000 0.786 235 P CB 1.314 32.948 31.700 -0.111 0.000 0.927 236 V N -0.219 119.810 119.914 0.191 0.000 3.216 236 V HA 0.611 4.996 4.120 0.441 0.000 0.302 236 V C -0.822 175.425 176.094 0.254 0.000 1.286 236 V CA -1.052 61.376 62.300 0.214 0.000 1.048 236 V CB 2.072 34.019 31.823 0.206 0.000 1.081 236 V HN 0.333 nan 8.190 nan 0.000 0.442 237 I N 1.455 122.156 120.570 0.219 0.000 2.466 237 I HA 0.677 5.112 4.170 0.441 0.000 0.289 237 I C -1.121 175.101 176.117 0.175 0.000 1.026 237 I CA -0.985 60.446 61.300 0.218 0.000 1.078 237 I CB 2.208 40.294 38.000 0.142 0.000 1.249 237 I HN 0.464 nan 8.210 nan 0.000 0.429 238 V N 5.672 125.721 119.914 0.224 0.000 2.409 238 V HA 0.684 5.069 4.120 0.441 0.000 0.290 238 V C 0.719 176.914 176.094 0.167 0.000 1.017 238 V CA 0.167 62.540 62.300 0.122 0.000 0.841 238 V CB 0.681 32.484 31.823 -0.033 0.000 1.003 238 V HN 1.145 nan 8.190 nan 0.000 0.426 239 G N 4.585 113.442 108.800 0.095 0.000 2.557 239 G HA2 -0.300 3.925 3.960 0.441 0.000 0.292 239 G HA3 -0.300 3.925 3.960 0.441 0.000 0.292 239 G C 0.179 175.083 174.900 0.006 0.000 1.162 239 G CA 0.803 45.980 45.100 0.129 0.000 0.964 239 G HN 0.859 nan 8.290 nan 0.000 0.541 240 H N 1.559 120.704 119.070 0.127 0.000 2.549 240 H HA 0.547 5.368 4.556 0.441 0.000 0.253 240 H C 0.695 176.089 175.328 0.110 0.000 1.170 240 H CA -0.129 55.985 56.048 0.109 0.000 0.943 240 H CB 0.425 30.235 29.762 0.080 0.000 1.849 240 H HN 0.435 nan 8.280 nan 0.000 0.603 241 R N 0.401 121.017 120.500 0.193 0.000 2.744 241 R HA 0.536 5.141 4.340 0.441 0.000 0.279 241 R C -0.915 175.474 176.300 0.148 0.000 0.977 241 R CA -0.904 55.270 56.100 0.123 0.000 0.906 241 R CB 2.551 32.885 30.300 0.057 0.000 1.197 241 R HN 0.091 nan 8.270 nan 0.000 0.463 242 I N 2.834 123.436 120.570 0.054 0.000 2.321 242 I HA 0.283 4.718 4.170 0.441 0.000 0.291 242 I C -0.864 175.270 176.117 0.028 0.000 0.998 242 I CA -0.614 60.780 61.300 0.158 0.000 1.227 242 I CB 0.692 38.814 38.000 0.203 0.000 1.368 242 I HN 0.361 nan 8.210 nan 0.000 0.466 243 Y N 6.902 127.247 120.300 0.075 0.000 2.342 243 Y HA 0.628 5.443 4.550 0.441 0.000 0.334 243 Y C -0.044 175.868 175.900 0.019 0.000 1.067 243 Y CA -0.623 57.421 58.100 -0.094 0.000 1.128 243 Y CB 1.271 39.673 38.460 -0.095 0.000 1.200 243 Y HN 0.453 nan 8.280 nan 0.000 0.464 244 F N -0.211 119.804 119.950 0.108 0.000 2.789 244 F HA 0.824 5.616 4.527 0.441 0.000 0.319 244 F C -1.833 174.003 175.800 0.059 0.000 1.168 244 F CA -1.948 56.073 58.000 0.036 0.000 0.934 244 F CB 0.933 39.909 39.000 -0.041 0.000 1.375 244 F HN 0.161 nan 8.300 nan 0.000 0.480 245 I N 0.653 121.436 120.570 0.356 0.000 2.693 245 I HA 0.746 5.181 4.170 0.441 0.000 0.303 245 I C -0.449 175.835 176.117 0.278 0.000 1.025 245 I CA -0.717 60.740 61.300 0.263 0.000 1.086 245 I CB 2.226 40.324 38.000 0.163 0.000 1.268 245 I HN 0.867 nan 8.210 nan 0.000 0.440 246 T N 1.465 116.163 114.554 0.240 0.000 2.827 246 T HA 0.209 4.824 4.350 0.441 0.000 0.328 246 T C -1.759 173.022 174.700 0.136 0.000 1.598 246 T CA -0.636 61.537 62.100 0.121 0.000 1.043 246 T CB 1.357 70.213 68.868 -0.020 0.000 1.447 246 T HN 0.780 nan 8.240 nan 0.000 0.491 247 D N 2.462 122.930 120.400 0.114 0.000 2.772 247 D HA 0.147 5.052 4.640 0.441 0.000 0.272 247 D C 1.383 177.739 176.300 0.094 0.000 1.314 247 D CA -0.429 53.642 54.000 0.119 0.000 0.835 247 D CB -0.180 40.726 40.800 0.177 0.000 1.080 247 D HN 0.384 nan 8.370 nan 0.000 0.482 248 I N 0.713 121.294 120.570 0.019 0.000 2.381 248 I HA -0.262 4.173 4.170 0.441 0.000 0.255 248 I C 0.554 176.701 176.117 0.050 0.000 1.140 248 I CA 1.589 62.882 61.300 -0.012 0.000 1.404 248 I CB 0.156 38.084 38.000 -0.120 0.000 1.075 248 I HN -0.125 nan 8.210 nan 0.000 0.433 249 D N 0.027 120.493 120.400 0.109 0.000 2.349 249 D HA 0.276 5.181 4.640 0.441 0.000 0.214 249 D C 1.586 177.963 176.300 0.127 0.000 1.063 249 D CA 0.953 55.024 54.000 0.118 0.000 0.847 249 D CB 0.445 41.333 40.800 0.147 0.000 0.933 249 D HN 0.473 nan 8.370 nan 0.000 0.513 250 G N -0.028 108.862 108.800 0.150 0.000 2.201 250 G HA2 -0.199 4.025 3.960 0.441 0.000 0.212 250 G HA3 -0.199 4.025 3.960 0.441 0.000 0.212 250 G C 0.069 175.138 174.900 0.283 0.000 0.994 250 G CA -0.298 44.918 45.100 0.192 0.000 0.644 250 G HN 0.292 nan 8.290 nan 0.000 0.508 251 F N 0.285 120.232 119.950 -0.005 0.000 2.678 251 F HA 0.576 5.368 4.527 0.441 0.000 0.308 251 F C 0.401 175.988 175.800 -0.354 0.000 1.118 251 F CA -0.104 57.752 58.000 -0.241 0.000 0.959 251 F CB 1.182 40.077 39.000 -0.176 0.000 1.305 251 F HN 0.393 nan 8.300 nan 0.000 0.443 252 G N 3.729 111.744 108.800 -1.309 0.000 2.334 252 G HA2 0.494 4.719 3.960 0.441 0.000 0.261 252 G HA3 0.494 4.719 3.960 0.441 0.000 0.261 252 G C -1.162 173.742 174.900 0.005 0.000 1.257 252 G CA -0.129 44.638 45.100 -0.554 0.000 0.935 252 G HN 0.414 nan 8.290 nan 0.000 0.480 253 Q N 1.111 120.990 119.800 0.132 0.000 2.495 253 Q HA 0.401 5.006 4.340 0.441 0.000 0.287 253 Q C -0.474 175.539 176.000 0.022 0.000 1.078 253 Q CA -0.787 55.048 55.803 0.053 0.000 0.793 253 Q CB 2.496 31.162 28.738 -0.119 0.000 1.459 253 Q HN 0.528 nan 8.270 nan 0.000 0.422 254 I N 1.705 122.145 120.570 -0.217 0.000 2.342 254 I HA 0.305 4.740 4.170 0.441 0.000 0.291 254 I C -0.728 175.210 176.117 -0.299 0.000 1.010 254 I CA -0.309 60.849 61.300 -0.237 0.000 1.308 254 I CB 0.384 38.103 38.000 -0.467 0.000 1.400 254 I HN 0.426 nan 8.210 nan 0.000 0.488 255 Y N 3.419 123.493 120.300 -0.377 0.000 2.686 255 Y HA 0.664 5.479 4.550 0.441 0.000 0.330 255 Y C 0.304 175.722 175.900 -0.803 0.000 1.082 255 Y CA -0.721 57.099 58.100 -0.466 0.000 1.158 255 Y CB 1.961 40.069 38.460 -0.587 0.000 1.333 255 Y HN 0.573 nan 8.280 nan 0.000 0.519 256 S N -0.695 114.711 115.700 -0.491 0.000 2.587 256 S HA 0.814 5.549 4.470 0.441 0.000 0.269 256 S C -1.001 173.446 174.600 -0.256 0.000 1.154 256 S CA -0.266 57.537 58.200 -0.661 0.000 0.824 256 S CB 1.689 64.167 63.200 -1.202 0.000 1.118 256 S HN 1.069 nan 8.310 nan 0.000 0.462 257 T N -1.463 113.015 114.554 -0.128 0.000 2.731 257 T HA 0.709 5.324 4.350 0.441 0.000 0.300 257 T C -1.331 173.376 174.700 0.012 0.000 1.283 257 T CA -0.448 61.657 62.100 0.009 0.000 1.005 257 T CB 0.778 69.719 68.868 0.121 0.000 1.420 257 T HN 0.864 nan 8.240 nan 0.000 0.503 258 D N 0.265 120.687 120.400 0.037 0.000 2.451 258 D HA 0.286 5.191 4.640 0.441 0.000 0.259 258 D C 1.144 177.485 176.300 0.068 0.000 1.201 258 D CA -1.064 52.972 54.000 0.059 0.000 1.028 258 D CB 0.130 40.963 40.800 0.056 0.000 1.095 258 D HN 0.553 nan 8.370 nan 0.000 0.539 259 L N -0.681 120.593 121.223 0.085 0.000 2.821 259 L HA 0.052 4.657 4.340 0.441 0.000 0.254 259 L C 0.498 177.395 176.870 0.045 0.000 1.151 259 L CA 0.659 55.544 54.840 0.075 0.000 0.937 259 L CB -0.615 41.503 42.059 0.098 0.000 1.141 259 L HN 0.381 nan 8.230 nan 0.000 0.425 260 D N -0.292 120.128 120.400 0.032 0.000 2.525 260 D HA 0.124 5.029 4.640 0.441 0.000 0.231 260 D C 1.401 177.695 176.300 -0.009 0.000 1.216 260 D CA 0.695 54.699 54.000 0.007 0.000 0.813 260 D CB 1.183 41.987 40.800 0.006 0.000 1.108 260 D HN 0.263 nan 8.370 nan 0.000 0.524 261 G N 1.955 110.759 108.800 0.007 0.000 2.168 261 G HA2 -0.264 3.961 3.960 0.441 0.000 0.257 261 G HA3 -0.264 3.961 3.960 0.441 0.000 0.257 261 G C 0.454 175.358 174.900 0.006 0.000 0.997 261 G CA 0.479 45.580 45.100 0.001 0.000 0.708 261 G HN 0.133 nan 8.290 nan 0.000 0.520 262 K N -0.094 120.314 120.400 0.012 0.000 2.211 262 K HA 0.535 5.120 4.320 0.441 0.000 0.237 262 K C 0.433 177.042 176.600 0.016 0.000 1.002 262 K CA -0.331 55.961 56.287 0.008 0.000 0.885 262 K CB 0.784 33.285 32.500 0.002 0.000 1.136 262 K HN 0.109 nan 8.250 nan 0.000 0.448 263 D N 1.013 121.418 120.400 0.009 0.000 2.718 263 D HA -0.171 4.733 4.640 0.441 0.000 0.242 263 D C -0.872 175.431 176.300 0.005 0.000 1.123 263 D CA 0.171 54.174 54.000 0.005 0.000 0.690 263 D CB -0.905 39.900 40.800 0.007 0.000 1.059 263 D HN 0.378 nan 8.370 nan 0.000 0.429 264 L N 1.119 122.353 121.223 0.017 0.000 2.499 264 L HA 0.292 4.897 4.340 0.441 0.000 0.273 264 L C 0.418 177.293 176.870 0.009 0.000 1.195 264 L CA 0.863 55.727 54.840 0.040 0.000 0.882 264 L CB 0.326 42.422 42.059 0.062 0.000 1.133 264 L HN 0.209 nan 8.230 nan 0.000 0.483 265 R N 4.108 124.594 120.500 -0.023 0.000 2.673 265 R HA 0.428 5.033 4.340 0.441 0.000 0.281 265 R C -1.164 174.936 176.300 -0.333 0.000 0.991 265 R CA -1.028 54.954 56.100 -0.197 0.000 0.896 265 R CB 1.872 31.970 30.300 -0.337 0.000 1.201 265 R HN 0.518 nan 8.270 nan 0.000 0.457 266 K N 1.591 121.695 120.400 -0.492 0.000 2.293 266 K HA 0.236 4.821 4.320 0.441 0.000 0.267 266 K C -0.305 175.887 176.600 -0.681 0.000 1.010 266 K CA -0.339 55.480 56.287 -0.779 0.000 0.875 266 K CB 0.712 32.852 32.500 -0.600 0.000 1.106 266 K HN 0.660 nan 8.250 nan 0.000 0.450 267 H N 0.463 119.243 119.070 -0.483 0.000 2.639 267 H HA 0.071 4.892 4.556 0.441 0.000 0.267 267 H C 0.193 175.300 175.328 -0.368 0.000 0.958 267 H CA 0.537 56.407 56.048 -0.297 0.000 1.221 267 H CB 0.851 30.476 29.762 -0.227 0.000 1.446 267 H HN 0.638 nan 8.280 nan 0.000 0.512 268 T N -2.684 111.594 114.554 -0.459 0.000 2.926 268 T HA 0.598 5.213 4.350 0.441 0.000 0.289 268 T C 0.305 174.620 174.700 -0.642 0.000 1.054 268 T CA -0.957 60.724 62.100 -0.698 0.000 1.015 268 T CB 2.142 70.279 68.868 -1.218 0.000 1.167 268 T HN -0.049 nan 8.240 nan 0.000 0.526 269 S N 0.212 115.484 115.700 -0.713 0.000 2.825 269 S HA 0.353 5.087 4.470 0.441 0.000 0.242 269 S C -0.327 174.073 174.600 -0.333 0.000 0.980 269 S CA -0.781 57.172 58.200 -0.413 0.000 1.107 269 S CB -0.544 62.497 63.200 -0.266 0.000 1.172 269 S HN 0.614 nan 8.310 nan 0.000 0.483 270 F N 2.009 121.900 119.950 -0.097 0.000 2.586 270 F HA 0.152 4.944 4.527 0.441 0.000 0.344 270 F C 2.039 177.597 175.800 -0.403 0.000 1.188 270 F CA 0.656 58.592 58.000 -0.106 0.000 1.359 270 F CB 0.606 39.650 39.000 0.075 0.000 1.129 270 F HN 0.285 nan 8.300 nan 0.000 0.609 271 T N -4.671 109.710 114.554 -0.288 0.000 3.123 271 T HA 0.006 4.621 4.350 0.441 0.000 0.266 271 T C 0.853 175.209 174.700 -0.572 0.000 0.873 271 T CA 0.217 61.821 62.100 -0.828 0.000 0.854 271 T CB -0.219 68.373 68.868 -0.459 0.000 1.254 271 T HN 0.544 nan 8.240 nan 0.000 0.570 272 D N 1.193 121.468 120.400 -0.208 0.000 2.106 272 D HA 0.070 4.975 4.640 0.441 0.000 0.203 272 D C 0.153 176.185 176.300 -0.447 0.000 0.977 272 D CA 1.040 54.848 54.000 -0.321 0.000 0.844 272 D CB -0.333 40.357 40.800 -0.183 0.000 1.002 272 D HN 0.573 nan 8.370 nan 0.000 0.461 273 Y N -2.343 118.189 120.300 0.386 0.000 2.597 273 Y HA 0.381 5.196 4.550 0.441 0.000 0.340 273 Y C -0.895 175.243 175.900 0.398 0.000 1.097 273 Y CA -1.549 56.802 58.100 0.419 0.000 1.037 273 Y CB 1.069 39.647 38.460 0.197 0.000 1.305 273 Y HN -0.251 nan 8.280 nan 0.000 0.463 274 Y N 3.814 124.218 120.300 0.173 0.000 2.511 274 Y HA 0.170 4.985 4.550 0.442 0.000 0.332 274 Y C -2.049 173.895 175.900 0.072 0.000 1.177 274 Y CA -2.209 55.874 58.100 -0.028 0.000 1.422 274 Y CB 0.143 38.551 38.460 -0.087 0.000 1.271 274 Y HN 0.164 nan 8.280 nan 0.000 0.550 275 P HA 0.319 nan 4.420 nan 0.000 0.278 275 P C -0.554 176.867 177.300 0.201 0.000 1.238 275 P CA -0.342 62.799 63.100 0.068 0.000 0.794 275 P CB 1.633 33.156 31.700 -0.296 0.000 0.955 276 R N 0.017 120.701 120.500 0.307 0.000 2.846 276 R HA 0.287 4.892 4.340 0.441 0.000 0.263 276 R C -0.244 176.313 176.300 0.430 0.000 1.080 276 R CA -1.096 55.202 56.100 0.330 0.000 0.961 276 R CB -0.394 30.103 30.300 0.328 0.000 1.231 276 R HN 0.674 nan 8.270 nan 0.000 0.465 277 H N 0.322 119.565 119.070 0.287 0.000 2.592 277 H HA -0.143 4.678 4.556 0.441 0.000 0.323 277 H C -0.619 174.899 175.328 0.317 0.000 1.117 277 H CA 0.215 56.443 56.048 0.301 0.000 1.120 277 H CB -1.085 28.849 29.762 0.286 0.000 1.561 277 H HN 0.288 nan 8.280 nan 0.000 0.409 278 L N 1.306 122.698 121.223 0.282 0.000 2.485 278 L HA 0.136 4.741 4.340 0.441 0.000 0.275 278 L C 0.881 177.905 176.870 0.256 0.000 1.207 278 L CA 0.861 55.869 54.840 0.279 0.000 0.855 278 L CB 0.610 42.783 42.059 0.190 0.000 1.114 278 L HN 0.598 nan 8.230 nan 0.000 0.485 279 N N 0.282 119.163 118.700 0.302 0.000 2.591 279 N HA 0.540 5.545 4.740 0.441 0.000 0.263 279 N C -1.259 174.413 175.510 0.269 0.000 1.308 279 N CA -0.539 52.686 53.050 0.292 0.000 0.837 279 N CB 2.534 41.233 38.487 0.353 0.000 1.548 279 N HN 0.525 nan 8.380 nan 0.000 0.493 280 T N -1.179 113.521 114.554 0.243 0.000 2.731 280 T HA 0.272 4.886 4.350 0.441 0.000 0.300 280 T C -1.456 173.349 174.700 0.176 0.000 1.283 280 T CA -0.407 61.807 62.100 0.189 0.000 1.005 280 T CB 1.113 70.062 68.868 0.134 0.000 1.420 280 T HN 0.706 nan 8.240 nan 0.000 0.503 281 D N -1.099 119.363 120.400 0.104 0.000 2.520 281 D HA 0.352 5.257 4.640 0.441 0.000 0.223 281 D C 1.281 177.590 176.300 0.014 0.000 1.186 281 D CA 0.829 54.859 54.000 0.050 0.000 0.821 281 D CB 0.206 40.970 40.800 -0.061 0.000 1.072 281 D HN 1.113 nan 8.370 nan 0.000 0.518 282 G N 0.768 109.588 108.800 0.034 0.000 2.238 282 G HA2 -0.307 3.918 3.960 0.441 0.000 0.217 282 G HA3 -0.307 3.918 3.960 0.441 0.000 0.217 282 G C 1.294 176.192 174.900 -0.002 0.000 0.996 282 G CA 0.181 45.295 45.100 0.023 0.000 0.632 282 G HN 0.398 nan 8.290 nan 0.000 0.503 283 R N -0.293 120.193 120.500 -0.023 0.000 2.144 283 R HA 0.411 5.016 4.340 0.441 0.000 0.195 283 R C 0.906 177.171 176.300 -0.059 0.000 1.077 283 R CA 0.368 56.443 56.100 -0.041 0.000 1.120 283 R CB 0.357 30.626 30.300 -0.051 0.000 1.060 283 R HN 0.326 nan 8.270 nan 0.000 0.520 284 R N 0.498 120.979 120.500 -0.033 0.000 2.803 284 R HA 0.509 5.114 4.340 0.441 0.000 0.276 284 R C -0.856 175.480 176.300 0.059 0.000 0.978 284 R CA -0.623 55.464 56.100 -0.021 0.000 0.939 284 R CB 2.021 32.319 30.300 -0.003 0.000 1.179 284 R HN -0.066 nan 8.270 nan 0.000 0.472 285 I N 2.090 122.739 120.570 0.131 0.000 2.392 285 I HA 0.319 4.754 4.170 0.441 0.000 0.295 285 I C -0.844 175.483 176.117 0.350 0.000 0.985 285 I CA -0.937 60.509 61.300 0.243 0.000 1.221 285 I CB 1.531 39.709 38.000 0.297 0.000 1.366 285 I HN 0.254 nan 8.210 nan 0.000 0.467 286 L N 7.731 129.167 121.223 0.356 0.000 2.341 286 L HA 0.751 5.356 4.340 0.441 0.000 0.267 286 L C -1.012 176.156 176.870 0.498 0.000 1.009 286 L CA -0.337 54.713 54.840 0.350 0.000 0.819 286 L CB 1.663 43.886 42.059 0.274 0.000 1.323 286 L HN 0.546 nan 8.230 nan 0.000 0.425 287 F N 0.350 120.442 119.950 0.238 0.000 2.858 287 F HA 0.781 5.572 4.527 0.441 0.000 0.319 287 F C -1.183 174.750 175.800 0.221 0.000 1.166 287 F CA -0.535 57.609 58.000 0.239 0.000 0.899 287 F CB 0.931 40.054 39.000 0.205 0.000 1.332 287 F HN 0.545 nan 8.300 nan 0.000 0.461 288 S N 0.989 116.915 115.700 0.378 0.000 2.600 288 S HA 0.834 5.568 4.470 0.441 0.000 0.300 288 S C -1.377 173.420 174.600 0.328 0.000 1.087 288 S CA -0.691 57.631 58.200 0.203 0.000 0.965 288 S CB 2.225 65.501 63.200 0.127 0.000 1.089 288 S HN 1.113 nan 8.310 nan 0.000 0.496 289 K N 0.310 120.857 120.400 0.245 0.000 2.570 289 K HA 0.479 5.064 4.320 0.441 0.000 0.256 289 K C 0.401 177.076 176.600 0.125 0.000 0.939 289 K CA 0.077 56.486 56.287 0.204 0.000 0.833 289 K CB 0.819 33.368 32.500 0.082 0.000 1.318 289 K HN 1.602 nan 8.250 nan 0.000 0.433 290 G N 2.320 111.081 108.800 -0.066 0.000 2.296 290 G HA2 -0.215 4.010 3.960 0.441 0.000 0.282 290 G HA3 -0.215 4.010 3.960 0.441 0.000 0.282 290 G C 0.802 175.525 174.900 -0.295 0.000 1.014 290 G CA 0.989 45.763 45.100 -0.544 0.000 0.812 290 G HN 1.744 nan 8.290 nan 0.000 0.508 291 G N -2.761 105.949 108.800 -0.150 0.000 2.157 291 G HA2 0.013 4.238 3.960 0.441 0.000 0.248 291 G HA3 0.013 4.238 3.960 0.441 0.000 0.248 291 G C 0.301 175.116 174.900 -0.142 0.000 0.979 291 G CA 0.716 45.739 45.100 -0.129 0.000 0.650 291 G HN 1.718 nan 8.290 nan 0.000 0.529 292 S N -0.824 114.805 115.700 -0.120 0.000 2.600 292 S HA 0.807 5.542 4.470 0.441 0.000 0.300 292 S C -0.291 174.103 174.600 -0.343 0.000 1.087 292 S CA -0.618 57.414 58.200 -0.280 0.000 0.965 292 S CB 2.091 65.082 63.200 -0.349 0.000 1.089 292 S HN 0.379 nan 8.310 nan 0.000 0.496 293 I N 2.108 122.342 120.570 -0.561 0.000 2.377 293 I HA 0.447 4.882 4.170 0.441 0.000 0.293 293 I C -1.239 174.430 176.117 -0.747 0.000 0.987 293 I CA -0.258 60.734 61.300 -0.514 0.000 1.185 293 I CB 0.845 38.558 38.000 -0.479 0.000 1.341 293 I HN 0.543 nan 8.210 nan 0.000 0.455 294 Y N 5.532 125.448 120.300 -0.640 0.000 2.598 294 Y HA 0.682 5.497 4.550 0.441 0.000 0.340 294 Y C -0.150 175.466 175.900 -0.473 0.000 1.038 294 Y CA -0.873 56.841 58.100 -0.644 0.000 1.100 294 Y CB 1.517 39.372 38.460 -1.009 0.000 1.281 294 Y HN 0.242 nan 8.280 nan 0.000 0.488 295 I N 1.701 122.292 120.570 0.035 0.000 2.608 295 I HA 0.316 4.751 4.170 0.441 0.000 0.295 295 I C -1.555 174.787 176.117 0.376 0.000 1.049 295 I CA -0.848 60.556 61.300 0.173 0.000 1.063 295 I CB 2.173 40.229 38.000 0.094 0.000 1.248 295 I HN 0.434 nan 8.210 nan 0.000 0.424 296 F N 6.128 126.221 119.950 0.238 0.000 2.477 296 F HA 0.402 5.194 4.527 0.442 0.000 0.335 296 F C -0.551 175.284 175.800 0.059 0.000 1.130 296 F CA -0.593 57.524 58.000 0.196 0.000 0.948 296 F CB 1.257 40.394 39.000 0.227 0.000 1.154 296 F HN 0.393 nan 8.300 nan 0.000 0.439 297 N N 7.814 126.134 118.700 -0.632 0.000 2.457 297 N HA 0.312 5.317 4.740 0.441 0.000 0.250 297 N C -2.176 172.760 175.510 -0.957 0.000 0.982 297 N CA -1.974 50.736 53.050 -0.567 0.000 0.941 297 N CB 1.754 40.078 38.487 -0.272 0.000 1.120 297 N HN 0.309 nan 8.380 nan 0.000 0.505 298 P HA -0.126 nan 4.420 nan 0.000 0.216 298 P C 0.149 177.308 177.300 -0.235 0.000 1.150 298 P CA 1.153 63.915 63.100 -0.562 0.000 0.843 298 P CB 0.320 31.834 31.700 -0.312 0.000 0.787 299 D N -1.911 118.377 120.400 -0.186 0.000 2.149 299 D HA -0.074 4.831 4.640 0.441 0.000 0.201 299 D C 1.706 177.958 176.300 -0.081 0.000 0.972 299 D CA 1.365 55.315 54.000 -0.083 0.000 0.835 299 D CB -0.869 39.893 40.800 -0.063 0.000 0.966 299 D HN 0.150 nan 8.370 nan 0.000 0.476 300 T N -0.655 113.816 114.554 -0.138 0.000 3.051 300 T HA 0.002 4.617 4.350 0.441 0.000 0.255 300 T C 0.801 175.452 174.700 -0.081 0.000 1.085 300 T CA 0.422 62.467 62.100 -0.093 0.000 1.109 300 T CB 0.388 69.202 68.868 -0.090 0.000 0.921 300 T HN 0.244 nan 8.240 nan 0.000 0.488 301 E N 0.416 120.505 120.200 -0.185 0.000 3.286 301 E HA -0.205 4.410 4.350 0.441 0.000 0.292 301 E C 0.029 176.665 176.600 0.060 0.000 0.928 301 E CA 0.518 56.893 56.400 -0.041 0.000 0.982 301 E CB -0.726 29.059 29.700 0.141 0.000 1.500 301 E HN 0.416 nan 8.360 nan 0.000 0.441 302 K N 0.854 121.231 120.400 -0.038 0.000 2.138 302 K HA 0.557 5.142 4.320 0.441 0.000 0.263 302 K C -0.426 176.263 176.600 0.148 0.000 0.965 302 K CA -0.569 55.757 56.287 0.066 0.000 0.868 302 K CB 0.792 33.309 32.500 0.029 0.000 1.083 302 K HN 0.127 nan 8.250 nan 0.000 0.443 303 I N 3.674 124.394 120.570 0.250 0.000 2.433 303 I HA 0.264 4.699 4.170 0.441 0.000 0.292 303 I C -0.497 175.795 176.117 0.292 0.000 1.001 303 I CA -0.648 60.871 61.300 0.366 0.000 1.119 303 I CB 1.884 40.189 38.000 0.508 0.000 1.289 303 I HN 0.665 nan 8.210 nan 0.000 0.438 304 E N 5.129 125.493 120.200 0.272 0.000 2.317 304 E HA 0.451 5.066 4.350 0.441 0.000 0.270 304 E C -1.273 175.409 176.600 0.136 0.000 0.885 304 E CA -1.241 55.273 56.400 0.191 0.000 0.760 304 E CB 2.479 32.234 29.700 0.092 0.000 1.227 304 E HN 0.399 nan 8.360 nan 0.000 0.434 305 K N 3.387 123.798 120.400 0.018 0.000 2.234 305 K HA 0.293 4.877 4.320 0.441 0.000 0.282 305 K C -0.558 175.853 176.600 -0.314 0.000 1.039 305 K CA -0.525 55.534 56.287 -0.381 0.000 0.928 305 K CB 0.667 32.943 32.500 -0.372 0.000 1.039 305 K HN 0.541 nan 8.250 nan 0.000 0.470 306 I N 3.972 124.288 120.570 -0.423 0.000 2.474 306 I HA 0.055 4.490 4.170 0.441 0.000 0.287 306 I C 0.299 176.197 176.117 -0.365 0.000 1.048 306 I CA -0.422 60.674 61.300 -0.340 0.000 1.383 306 I CB 1.076 38.837 38.000 -0.398 0.000 1.412 306 I HN 0.509 nan 8.210 nan 0.000 0.531 307 E N 7.101 127.147 120.200 -0.257 0.000 2.089 307 E HA 0.287 4.902 4.350 0.441 0.000 0.284 307 E C 0.454 176.909 176.600 -0.243 0.000 1.023 307 E CA -0.011 56.263 56.400 -0.210 0.000 0.819 307 E CB 1.807 31.447 29.700 -0.101 0.000 1.076 307 E HN 0.565 nan 8.360 nan 0.000 0.396 308 I N 0.843 121.239 120.570 -0.290 0.000 3.971 308 I HA 0.128 4.563 4.170 0.441 0.000 0.303 308 I C 1.152 177.185 176.117 -0.140 0.000 1.233 308 I CA 0.417 61.562 61.300 -0.259 0.000 1.346 308 I CB 0.252 37.992 38.000 -0.433 0.000 1.273 308 I HN 0.653 nan 8.210 nan 0.000 0.448 309 G N 1.859 110.565 108.800 -0.156 0.000 2.752 309 G HA2 -0.233 3.992 3.960 0.441 0.000 0.234 309 G HA3 -0.233 3.992 3.960 0.441 0.000 0.234 309 G C -0.778 174.055 174.900 -0.111 0.000 1.367 309 G CA -0.523 44.512 45.100 -0.108 0.000 0.879 309 G HN 0.277 nan 8.290 nan 0.000 0.563 310 D N -0.231 120.123 120.400 -0.077 0.000 2.488 310 D HA 0.346 5.251 4.640 0.441 0.000 0.238 310 D C 1.107 177.361 176.300 -0.076 0.000 1.138 310 D CA 0.048 54.006 54.000 -0.071 0.000 0.873 310 D CB 1.155 41.932 40.800 -0.037 0.000 1.183 310 D HN 0.324 nan 8.370 nan 0.000 0.458 311 L N 1.288 122.438 121.223 -0.123 0.000 2.663 311 L HA 0.291 4.896 4.340 0.441 0.000 0.218 311 L C 0.248 177.135 176.870 0.029 0.000 1.043 311 L CA 0.648 55.379 54.840 -0.182 0.000 0.876 311 L CB 0.138 41.787 42.059 -0.683 0.000 1.263 311 L HN 0.548 nan 8.230 nan 0.000 0.486 312 E N -1.373 118.845 120.200 0.029 0.000 2.381 312 E HA 0.389 5.004 4.350 0.441 0.000 0.286 312 E C -1.431 175.215 176.600 0.076 0.000 0.960 312 E CA -0.138 56.345 56.400 0.139 0.000 0.793 312 E CB 1.701 31.587 29.700 0.309 0.000 1.225 312 E HN -0.185 nan 8.360 nan 0.000 0.420 313 S N 4.914 120.654 115.700 0.067 0.000 2.383 313 S HA 0.380 5.115 4.470 0.441 0.000 0.196 313 S C -2.365 172.255 174.600 0.033 0.000 1.364 313 S CA -0.976 57.245 58.200 0.035 0.000 1.212 313 S CB 0.660 63.865 63.200 0.009 0.000 1.171 313 S HN 0.492 nan 8.310 nan 0.000 0.456 314 P HA 0.256 nan 4.420 nan 0.000 0.273 314 P C -0.294 177.009 177.300 0.004 0.000 1.250 314 P CA -0.405 62.712 63.100 0.028 0.000 0.793 314 P CB 0.418 32.140 31.700 0.037 0.000 1.011 315 E N 0.272 120.472 120.200 -0.000 0.000 2.558 315 E HA -0.119 4.495 4.350 0.441 0.000 0.255 315 E C 0.597 177.182 176.600 -0.024 0.000 0.968 315 E CA 0.605 56.999 56.400 -0.010 0.000 0.939 315 E CB -0.099 29.596 29.700 -0.009 0.000 0.921 315 E HN 0.402 nan 8.360 nan 0.000 0.477 316 D N 3.421 123.807 120.400 -0.022 0.000 2.137 316 D HA -0.076 4.829 4.640 0.441 0.000 0.202 316 D C 0.308 176.586 176.300 -0.037 0.000 0.970 316 D CA 0.446 54.432 54.000 -0.024 0.000 0.837 316 D CB 0.226 41.038 40.800 0.020 0.000 0.981 316 D HN 0.312 nan 8.370 nan 0.000 0.475 317 R N 0.890 121.376 120.500 -0.024 0.000 2.288 317 R HA 0.246 4.851 4.340 0.441 0.000 0.330 317 R C -0.364 175.911 176.300 -0.040 0.000 1.069 317 R CA -0.165 55.916 56.100 -0.032 0.000 0.941 317 R CB -0.093 30.197 30.300 -0.017 0.000 0.998 317 R HN 0.310 nan 8.270 nan 0.000 0.452 318 I N 1.346 121.881 120.570 -0.059 0.000 2.648 318 I HA 0.486 4.921 4.170 0.441 0.000 0.304 318 I C -0.598 175.493 176.117 -0.044 0.000 1.009 318 I CA -1.215 60.053 61.300 -0.054 0.000 1.114 318 I CB 1.681 39.635 38.000 -0.077 0.000 1.293 318 I HN 0.249 nan 8.210 nan 0.000 0.449 319 I N 2.998 123.552 120.570 -0.027 0.000 2.412 319 I HA 0.496 4.931 4.170 0.441 0.000 0.296 319 I C 0.038 176.157 176.117 0.003 0.000 0.987 319 I CA -0.046 61.246 61.300 -0.012 0.000 1.180 319 I CB 1.393 39.391 38.000 -0.004 0.000 1.340 319 I HN 0.720 nan 8.210 nan 0.000 0.455 320 S N 5.687 121.398 115.700 0.017 0.000 2.595 320 S HA 0.644 5.378 4.470 0.441 0.000 0.281 320 S C -0.340 174.330 174.600 0.118 0.000 1.117 320 S CA -0.577 57.672 58.200 0.083 0.000 0.873 320 S CB 2.341 65.552 63.200 0.018 0.000 1.108 320 S HN 0.350 nan 8.310 nan 0.000 0.477 321 I N 4.057 124.744 120.570 0.196 0.000 2.291 321 I HA 0.223 4.658 4.170 0.441 0.000 0.292 321 I C -1.225 174.989 176.117 0.162 0.000 1.064 321 I CA -1.992 59.376 61.300 0.113 0.000 1.269 321 I CB 1.244 39.275 38.000 0.052 0.000 1.418 321 I HN 0.496 nan 8.210 nan 0.000 0.485 322 P HA -0.300 nan 4.420 nan 0.000 0.218 322 P C 1.562 178.910 177.300 0.081 0.000 1.154 322 P CA 1.951 65.124 63.100 0.121 0.000 0.872 322 P CB 0.075 31.788 31.700 0.022 0.000 0.790 323 S N -0.273 115.394 115.700 -0.056 0.000 2.370 323 S HA -0.162 4.573 4.470 0.441 0.000 0.226 323 S C 2.042 176.561 174.600 -0.135 0.000 1.033 323 S CA 1.004 59.123 58.200 -0.136 0.000 1.011 323 S CB -0.935 62.165 63.200 -0.166 0.000 0.852 323 S HN 0.001 nan 8.310 nan 0.000 0.457 324 K N 0.946 121.226 120.400 -0.200 0.000 2.113 324 K HA -0.046 4.539 4.320 0.441 0.000 0.208 324 K C 0.964 177.157 176.600 -0.678 0.000 1.047 324 K CA 1.306 57.284 56.287 -0.516 0.000 0.928 324 K CB -0.535 31.472 32.500 -0.822 0.000 0.716 324 K HN 0.678 nan 8.250 nan 0.000 0.446 325 F N -0.391 119.579 119.950 0.033 0.000 2.698 325 F HA 0.347 5.138 4.527 0.441 0.000 0.304 325 F C 0.687 176.549 175.800 0.104 0.000 1.108 325 F CA -0.709 57.328 58.000 0.062 0.000 1.263 325 F CB -0.009 39.029 39.000 0.064 0.000 1.013 325 F HN -0.226 nan 8.300 nan 0.000 0.532 326 A N 1.467 124.405 122.820 0.196 0.000 2.332 326 A HA 0.658 5.243 4.320 0.441 0.000 0.258 326 A C 0.198 177.911 177.584 0.215 0.000 1.087 326 A CA 0.040 52.211 52.037 0.225 0.000 0.802 326 A CB 0.328 19.325 19.000 -0.006 0.000 1.042 326 A HN 0.547 nan 8.150 nan 0.000 0.489 327 E N -0.756 119.629 120.200 0.308 0.000 2.417 327 E HA 0.399 5.014 4.350 0.441 0.000 0.280 327 E C -0.885 175.900 176.600 0.309 0.000 1.112 327 E CA -0.376 56.199 56.400 0.290 0.000 0.863 327 E CB 0.277 30.092 29.700 0.193 0.000 1.346 327 E HN 0.423 nan 8.360 nan 0.000 0.443 328 D N -0.391 120.127 120.400 0.197 0.000 2.870 328 D HA -0.185 4.719 4.640 0.441 0.000 0.228 328 D C -0.738 175.613 176.300 0.086 0.000 1.147 328 D CA 1.134 55.183 54.000 0.081 0.000 0.757 328 D CB -1.503 39.392 40.800 0.159 0.000 1.091 328 D HN 0.479 nan 8.370 nan 0.000 0.429 329 F N -0.634 119.430 119.950 0.190 0.000 2.608 329 F HA 0.459 5.252 4.527 0.443 0.000 0.380 329 F C 0.664 176.557 175.800 0.155 0.000 1.083 329 F CA -0.334 57.775 58.000 0.182 0.000 1.266 329 F CB 0.749 39.794 39.000 0.076 0.000 1.076 329 F HN -0.023 nan 8.300 nan 0.000 0.574 330 S N 4.435 120.262 115.700 0.212 0.000 2.536 330 S HA 0.606 5.340 4.470 0.441 0.000 0.271 330 S C -3.153 171.543 174.600 0.159 0.000 1.134 330 S CA -1.484 56.788 58.200 0.119 0.000 0.897 330 S CB 2.075 65.323 63.200 0.079 0.000 1.094 330 S HN 0.624 nan 8.310 nan 0.000 0.473 331 P HA 0.394 nan 4.420 nan 0.000 0.286 331 P C -0.836 176.522 177.300 0.098 0.000 1.269 331 P CA -0.468 62.695 63.100 0.106 0.000 0.787 331 P CB 0.814 32.560 31.700 0.076 0.000 0.920 332 L N 1.782 123.066 121.223 0.101 0.000 2.341 332 L HA 0.489 5.094 4.340 0.441 0.000 0.267 332 L C 0.687 177.616 176.870 0.100 0.000 1.022 332 L CA -1.115 53.793 54.840 0.114 0.000 0.844 332 L CB 0.470 42.610 42.059 0.134 0.000 1.436 332 L HN 0.206 nan 8.230 nan 0.000 0.483 333 D N 0.014 120.486 120.400 0.120 0.000 2.360 333 D HA 0.299 5.204 4.640 0.441 0.000 0.242 333 D C 0.756 177.112 176.300 0.092 0.000 1.184 333 D CA 0.997 55.056 54.000 0.098 0.000 0.930 333 D CB 0.592 41.451 40.800 0.099 0.000 1.161 333 D HN 0.769 nan 8.370 nan 0.000 0.447 334 G N 1.275 110.117 108.800 0.069 0.000 2.305 334 G HA2 -0.341 3.884 3.960 0.441 0.000 0.287 334 G HA3 -0.341 3.884 3.960 0.441 0.000 0.287 334 G C 0.316 175.244 174.900 0.047 0.000 1.036 334 G CA 0.662 45.795 45.100 0.056 0.000 0.887 334 G HN 0.798 nan 8.290 nan 0.000 0.505 335 D N -2.052 118.378 120.400 0.050 0.000 2.708 335 D HA -0.175 4.730 4.640 0.441 0.000 0.236 335 D C 0.635 176.964 176.300 0.049 0.000 1.146 335 D CA 1.494 55.523 54.000 0.049 0.000 0.662 335 D CB -1.117 39.710 40.800 0.045 0.000 1.059 335 D HN 0.764 nan 8.370 nan 0.000 0.428 336 L N -0.082 121.170 121.223 0.049 0.000 2.332 336 L HA 0.597 5.201 4.340 0.441 0.000 0.269 336 L C 0.500 177.408 176.870 0.064 0.000 1.016 336 L CA -1.159 53.701 54.840 0.033 0.000 0.809 336 L CB 1.378 43.419 42.059 -0.029 0.000 1.280 336 L HN -0.076 nan 8.230 nan 0.000 0.447 337 I N 0.904 121.522 120.570 0.081 0.000 2.569 337 I HA 0.641 5.076 4.170 0.441 0.000 0.296 337 I C -0.071 176.154 176.117 0.180 0.000 1.028 337 I CA -0.597 60.792 61.300 0.150 0.000 1.082 337 I CB 1.671 39.779 38.000 0.180 0.000 1.264 337 I HN 0.576 nan 8.210 nan 0.000 0.429 338 A N 5.649 128.608 122.820 0.232 0.000 2.401 338 A HA 0.986 5.571 4.320 0.441 0.000 0.310 338 A C -1.165 176.651 177.584 0.387 0.000 1.075 338 A CA -0.401 51.773 52.037 0.229 0.000 0.746 338 A CB 2.044 21.147 19.000 0.171 0.000 1.277 338 A HN 0.700 nan 8.150 nan 0.000 0.425 339 F N -0.633 119.435 119.950 0.196 0.000 2.773 339 F HA 0.727 5.518 4.527 0.440 0.000 0.314 339 F C -1.824 174.114 175.800 0.231 0.000 1.160 339 F CA -1.088 57.038 58.000 0.211 0.000 0.920 339 F CB 0.814 39.949 39.000 0.226 0.000 1.323 339 F HN 0.446 nan 8.300 nan 0.000 0.457 340 V N 1.516 121.671 119.914 0.402 0.000 2.680 340 V HA 0.813 5.198 4.120 0.441 0.000 0.309 340 V C -0.850 175.504 176.094 0.433 0.000 1.052 340 V CA -0.459 61.974 62.300 0.223 0.000 0.908 340 V CB 1.668 33.554 31.823 0.105 0.000 1.001 340 V HN 0.965 nan 8.190 nan 0.000 0.431 341 S N 3.296 119.205 115.700 0.348 0.000 2.562 341 S HA 0.530 5.265 4.470 0.441 0.000 0.274 341 S C -0.049 174.697 174.600 0.242 0.000 1.160 341 S CA -0.686 57.745 58.200 0.385 0.000 0.933 341 S CB 1.021 64.548 63.200 0.546 0.000 1.100 341 S HN 0.779 nan 8.310 nan 0.000 0.468 342 R N 2.512 123.118 120.500 0.175 0.000 3.405 342 R HA -0.236 4.369 4.340 0.441 0.000 0.258 342 R C 1.053 177.349 176.300 -0.008 0.000 1.030 342 R CA 1.285 57.393 56.100 0.013 0.000 0.691 342 R CB -1.789 28.432 30.300 -0.131 0.000 1.093 342 R HN 1.783 nan 8.270 nan 0.000 0.448 343 G N -1.310 107.491 108.800 0.000 0.000 2.205 343 G HA2 -0.363 3.862 3.960 0.441 0.000 0.261 343 G HA3 -0.363 3.862 3.960 0.441 0.000 0.261 343 G C 0.042 174.889 174.900 -0.089 0.000 0.980 343 G CA 0.761 45.828 45.100 -0.055 0.000 0.632 343 G HN 0.520 nan 8.290 nan 0.000 0.533 344 Q N -0.083 119.683 119.800 -0.057 0.000 2.215 344 Q HA 0.767 5.372 4.340 0.441 0.000 0.256 344 Q C 0.069 175.868 176.000 -0.335 0.000 0.972 344 Q CA -0.068 55.607 55.803 -0.213 0.000 0.889 344 Q CB 1.963 30.636 28.738 -0.108 0.000 1.281 344 Q HN 0.799 nan 8.270 nan 0.000 0.456 345 A N 1.206 123.575 122.820 -0.752 0.000 2.413 345 A HA 0.861 5.446 4.320 0.441 0.000 0.307 345 A C -1.521 175.314 177.584 -1.249 0.000 1.087 345 A CA -0.451 51.168 52.037 -0.696 0.000 0.750 345 A CB 0.870 19.606 19.000 -0.441 0.000 1.296 345 A HN 0.558 nan 8.150 nan 0.000 0.423 346 F N -0.058 119.590 119.950 -0.503 0.000 2.613 346 F HA 0.654 5.446 4.527 0.441 0.000 0.310 346 F C -0.655 175.011 175.800 -0.223 0.000 1.085 346 F CA -0.624 57.136 58.000 -0.399 0.000 0.945 346 F CB 2.029 40.688 39.000 -0.569 0.000 1.298 346 F HN 0.260 nan 8.300 nan 0.000 0.455 347 I N 2.211 122.811 120.570 0.050 0.000 2.410 347 I HA 0.440 4.874 4.170 0.441 0.000 0.286 347 I C -0.717 175.416 176.117 0.026 0.000 1.009 347 I CA -0.341 60.943 61.300 -0.027 0.000 1.111 347 I CB 1.573 39.436 38.000 -0.229 0.000 1.262 347 I HN 0.672 nan 8.210 nan 0.000 0.443 348 Q N 4.849 124.696 119.800 0.079 0.000 2.553 348 Q HA 0.571 5.175 4.340 0.441 0.000 0.293 348 Q C -1.631 174.431 176.000 0.104 0.000 1.038 348 Q CA -1.107 54.768 55.803 0.120 0.000 0.777 348 Q CB 2.151 31.003 28.738 0.191 0.000 1.487 348 Q HN 0.517 nan 8.270 nan 0.000 0.426 349 D N 0.574 121.052 120.400 0.131 0.000 2.329 349 D HA 0.046 4.951 4.640 0.441 0.000 0.246 349 D C 1.407 177.768 176.300 0.102 0.000 1.111 349 D CA -0.062 54.010 54.000 0.119 0.000 0.941 349 D CB 1.555 42.468 40.800 0.188 0.000 1.169 349 D HN 0.601 nan 8.370 nan 0.000 0.441 350 V N -0.202 119.760 119.914 0.080 0.000 2.317 350 V HA -0.294 4.091 4.120 0.441 0.000 0.251 350 V C 2.402 178.513 176.094 0.028 0.000 1.065 350 V CA 2.469 64.800 62.300 0.051 0.000 1.049 350 V CB -1.486 30.364 31.823 0.046 0.000 0.651 350 V HN 0.693 nan 8.190 nan 0.000 0.450 351 S N 1.082 116.809 115.700 0.044 0.000 2.440 351 S HA 0.054 4.789 4.470 0.441 0.000 0.238 351 S C 1.847 176.445 174.600 -0.004 0.000 1.010 351 S CA 1.869 60.080 58.200 0.018 0.000 0.972 351 S CB -1.019 62.204 63.200 0.039 0.000 0.774 351 S HN 2.158 nan 8.310 nan 0.000 0.501 352 G N -0.082 108.733 108.800 0.026 0.000 2.153 352 G HA2 -0.313 3.912 3.960 0.441 0.000 0.252 352 G HA3 -0.313 3.912 3.960 0.441 0.000 0.252 352 G C 0.771 175.652 174.900 -0.030 0.000 0.994 352 G CA 1.250 46.358 45.100 0.015 0.000 0.698 352 G HN 0.738 nan 8.290 nan 0.000 0.521 353 T N -1.431 113.082 114.554 -0.069 0.000 2.894 353 T HA 0.193 4.807 4.350 0.441 0.000 0.258 353 T C 0.866 175.346 174.700 -0.367 0.000 1.043 353 T CA 1.215 63.163 62.100 -0.253 0.000 1.141 353 T CB 0.014 68.657 68.868 -0.375 0.000 0.873 353 T HN 0.384 nan 8.240 nan 0.000 0.449 354 Y N 1.882 122.196 120.300 0.024 0.000 2.595 354 Y HA 0.587 5.402 4.550 0.441 0.000 0.336 354 Y C -0.534 175.389 175.900 0.039 0.000 0.996 354 Y CA -1.016 57.101 58.100 0.028 0.000 1.260 354 Y CB 0.998 39.471 38.460 0.023 0.000 1.108 354 Y HN -0.118 nan 8.280 nan 0.000 0.509 355 V N 5.545 125.543 119.914 0.140 0.000 2.459 355 V HA 0.442 4.826 4.120 0.441 0.000 0.295 355 V C -0.241 175.949 176.094 0.161 0.000 1.029 355 V CA -0.950 61.437 62.300 0.144 0.000 0.874 355 V CB 1.862 33.750 31.823 0.108 0.000 0.985 355 V HN 0.576 nan 8.190 nan 0.000 0.438 356 L N 4.435 125.756 121.223 0.164 0.000 2.341 356 L HA 0.586 5.191 4.340 0.441 0.000 0.278 356 L C -0.100 176.828 176.870 0.098 0.000 1.005 356 L CA -0.557 54.365 54.840 0.137 0.000 0.818 356 L CB 1.963 44.102 42.059 0.134 0.000 1.259 356 L HN 0.578 nan 8.230 nan 0.000 0.418 357 K N 2.494 122.894 120.400 0.000 0.000 2.183 357 K HA 0.451 5.036 4.320 0.441 0.000 0.274 357 K C -0.781 175.565 176.600 -0.424 0.000 1.009 357 K CA -0.626 55.459 56.287 -0.337 0.000 0.888 357 K CB 1.489 33.850 32.500 -0.232 0.000 1.078 357 K HN 0.330 nan 8.250 nan 0.000 0.459 358 V N 6.631 126.157 119.914 -0.647 0.000 2.585 358 V HA 0.103 4.488 4.120 0.441 0.000 0.296 358 V C -1.773 173.911 176.094 -0.684 0.000 1.035 358 V CA -1.165 60.647 62.300 -0.813 0.000 1.084 358 V CB 0.759 32.084 31.823 -0.830 0.000 0.953 358 V HN 0.831 nan 8.190 nan 0.000 0.483 359 P HA 0.330 nan 4.420 nan 0.000 0.247 359 P C -0.487 176.580 177.300 -0.388 0.000 1.756 359 P CA 0.017 62.876 63.100 -0.401 0.000 1.117 359 P CB 0.412 31.950 31.700 -0.270 0.000 1.869 360 E N 2.852 122.820 120.200 -0.387 0.000 2.352 360 E HA 0.328 4.943 4.350 0.441 0.000 0.280 360 E C -2.329 174.150 176.600 -0.203 0.000 0.930 360 E CA -1.730 54.468 56.400 -0.336 0.000 0.765 360 E CB 2.310 31.709 29.700 -0.502 0.000 1.219 360 E HN 0.272 nan 8.360 nan 0.000 0.434 361 P HA 0.075 nan 4.420 nan 0.000 0.273 361 P C 0.423 177.777 177.300 0.091 0.000 1.258 361 P CA -0.390 62.713 63.100 0.006 0.000 0.802 361 P CB 0.840 32.568 31.700 0.045 0.000 1.040 362 L N 0.528 121.771 121.223 0.034 0.000 2.529 362 L HA -0.056 4.549 4.340 0.441 0.000 0.287 362 L C 0.983 177.796 176.870 -0.095 0.000 1.241 362 L CA 0.455 55.279 54.840 -0.027 0.000 0.857 362 L CB -0.171 41.865 42.059 -0.039 0.000 1.113 362 L HN 0.487 nan 8.230 nan 0.000 0.504 363 R N 3.323 123.741 120.500 -0.137 0.000 2.598 363 R HA -0.105 4.500 4.340 0.441 0.000 0.323 363 R C -1.299 174.859 176.300 -0.236 0.000 0.993 363 R CA 0.470 56.452 56.100 -0.197 0.000 0.724 363 R CB -1.510 28.663 30.300 -0.211 0.000 2.060 363 R HN 0.527 nan 8.270 nan 0.000 0.470 364 I N 4.276 124.759 120.570 -0.145 0.000 2.361 364 I HA 0.181 4.616 4.170 0.441 0.000 0.282 364 I C 1.819 177.863 176.117 -0.122 0.000 1.075 364 I CA -0.526 60.723 61.300 -0.085 0.000 1.205 364 I CB 0.877 38.786 38.000 -0.152 0.000 1.406 364 I HN 0.268 nan 8.210 nan 0.000 0.481 365 R N 4.018 124.418 120.500 -0.167 0.000 2.073 365 R HA -0.051 4.554 4.340 0.441 0.000 0.234 365 R C -0.329 175.576 176.300 -0.659 0.000 1.134 365 R CA 1.491 57.314 56.100 -0.462 0.000 0.952 365 R CB -0.052 29.930 30.300 -0.530 0.000 0.850 365 R HN 0.402 nan 8.270 nan 0.000 0.433 366 Y N -1.396 118.951 120.300 0.078 0.000 2.576 366 Y HA 0.496 5.314 4.550 0.446 0.000 0.346 366 Y C -0.540 175.453 175.900 0.156 0.000 1.018 366 Y CA -1.239 56.917 58.100 0.095 0.000 1.050 366 Y CB 2.223 40.729 38.460 0.077 0.000 1.280 366 Y HN -0.357 nan 8.280 nan 0.000 0.474 367 V N 2.393 122.490 119.914 0.306 0.000 2.638 367 V HA 0.689 5.074 4.120 0.441 0.000 0.306 367 V C -0.891 175.335 176.094 0.220 0.000 1.052 367 V CA -0.806 61.653 62.300 0.264 0.000 0.885 367 V CB 1.902 33.840 31.823 0.191 0.000 0.999 367 V HN 0.618 nan 8.190 nan 0.000 0.424 368 R N 2.173 122.797 120.500 0.206 0.000 2.621 368 R HA 0.581 5.186 4.340 0.441 0.000 0.284 368 R C -0.618 175.767 176.300 0.143 0.000 0.998 368 R CA -1.019 55.170 56.100 0.149 0.000 0.895 368 R CB 1.473 31.843 30.300 0.117 0.000 1.195 368 R HN 0.842 nan 8.270 nan 0.000 0.450 369 R N 0.945 121.518 120.500 0.123 0.000 2.502 369 R HA 0.250 4.855 4.340 0.441 0.000 0.292 369 R C 0.308 176.653 176.300 0.075 0.000 0.998 369 R CA 1.264 57.434 56.100 0.116 0.000 1.056 369 R CB 0.149 30.509 30.300 0.100 0.000 0.939 369 R HN 0.734 nan 8.270 nan 0.000 0.411 370 G N 1.507 110.345 108.800 0.064 0.000 3.342 370 G HA2 0.456 4.680 3.960 0.441 0.000 0.252 370 G HA3 0.456 4.680 3.960 0.441 0.000 0.252 370 G C 0.073 174.970 174.900 -0.006 0.000 1.011 370 G CA 0.163 45.275 45.100 0.021 0.000 0.869 370 G HN 0.985 nan 8.290 nan 0.000 0.514 371 G N -0.278 108.520 108.800 -0.003 0.000 2.320 371 G HA2 0.333 4.558 3.960 0.441 0.000 0.296 371 G HA3 0.333 4.558 3.960 0.441 0.000 0.296 371 G C -0.414 174.468 174.900 -0.028 0.000 1.306 371 G CA -0.045 45.037 45.100 -0.029 0.000 0.836 371 G HN -0.172 nan 8.290 nan 0.000 0.517 372 D N -0.194 120.181 120.400 -0.042 0.000 2.116 372 D HA -0.093 4.812 4.640 0.441 0.000 0.193 372 D C 2.351 178.614 176.300 -0.062 0.000 0.998 372 D CA 2.603 56.588 54.000 -0.025 0.000 0.836 372 D CB -0.025 40.754 40.800 -0.034 0.000 0.951 372 D HN 0.649 nan 8.370 nan 0.000 0.449 373 T N -3.669 110.733 114.554 -0.253 0.000 3.111 373 T HA 0.259 4.874 4.350 0.441 0.000 0.284 373 T C 0.492 174.563 174.700 -1.048 0.000 0.983 373 T CA -0.544 61.125 62.100 -0.718 0.000 0.900 373 T CB 0.842 69.390 68.868 -0.533 0.000 1.132 373 T HN -0.147 nan 8.240 nan 0.000 0.531 374 K N 0.870 120.984 120.400 -0.476 0.000 2.123 374 K HA 0.756 5.341 4.320 0.441 0.000 0.259 374 K C -1.481 175.072 176.600 -0.079 0.000 0.960 374 K CA -0.874 55.227 56.287 -0.311 0.000 0.872 374 K CB 2.649 35.047 32.500 -0.170 0.000 1.079 374 K HN 0.077 nan 8.250 nan 0.000 0.440 375 V N 1.165 121.111 119.914 0.054 0.000 2.841 375 V HA 0.649 5.033 4.120 0.441 0.000 0.310 375 V C -1.431 174.797 176.094 0.222 0.000 1.090 375 V CA -0.547 61.876 62.300 0.205 0.000 0.930 375 V CB 1.874 33.915 31.823 0.364 0.000 1.014 375 V HN 0.932 nan 8.190 nan 0.000 0.425 376 A N 5.770 128.690 122.820 0.167 0.000 2.303 376 A HA 0.997 5.582 4.320 0.441 0.000 0.317 376 A C -0.874 176.827 177.584 0.196 0.000 1.149 376 A CA -0.362 51.724 52.037 0.081 0.000 0.822 376 A CB 0.874 19.895 19.000 0.035 0.000 1.131 376 A HN 1.550 nan 8.150 nan 0.000 0.493 377 F N -0.153 119.870 119.950 0.122 0.000 2.643 377 F HA 0.763 5.555 4.527 0.441 0.000 0.314 377 F C -1.216 174.682 175.800 0.164 0.000 1.096 377 F CA -1.598 56.483 58.000 0.135 0.000 0.953 377 F CB 1.179 40.235 39.000 0.093 0.000 1.345 377 F HN 0.254 nan 8.300 nan 0.000 0.468 378 I N 2.808 123.644 120.570 0.443 0.000 2.354 378 I HA 0.206 4.641 4.170 0.441 0.000 0.286 378 I C -0.636 175.733 176.117 0.420 0.000 1.007 378 I CA -0.249 61.264 61.300 0.354 0.000 1.167 378 I CB 0.865 39.080 38.000 0.357 0.000 1.320 378 I HN 0.781 nan 8.210 nan 0.000 0.458 379 H N 5.682 124.989 119.070 0.394 0.000 2.552 379 H HA 0.524 5.345 4.556 0.441 0.000 0.311 379 H C -0.375 175.124 175.328 0.285 0.000 1.071 379 H CA -0.294 55.952 56.048 0.330 0.000 1.307 379 H CB 1.683 31.682 29.762 0.395 0.000 1.416 379 H HN 0.742 nan 8.280 nan 0.000 0.464 380 G N 3.148 111.760 108.800 -0.313 0.000 2.371 380 G HA2 0.443 4.668 3.960 0.441 0.000 0.326 380 G HA3 0.443 4.668 3.960 0.441 0.000 0.326 380 G C -0.287 174.493 174.900 -0.200 0.000 1.127 380 G CA -0.252 44.762 45.100 -0.143 0.000 0.885 380 G HN 0.730 nan 8.290 nan 0.000 0.477 381 T N -1.258 113.352 114.554 0.094 0.000 2.716 381 T HA 0.383 4.998 4.350 0.441 0.000 0.286 381 T C 1.244 176.037 174.700 0.155 0.000 1.052 381 T CA -0.744 61.438 62.100 0.137 0.000 1.024 381 T CB 1.805 70.826 68.868 0.255 0.000 1.349 381 T HN 0.410 nan 8.240 nan 0.000 0.525 382 R N 0.027 120.617 120.500 0.149 0.000 2.120 382 R HA -0.075 4.530 4.340 0.441 0.000 0.234 382 R C 1.628 178.027 176.300 0.166 0.000 1.123 382 R CA 1.469 57.659 56.100 0.150 0.000 0.975 382 R CB -0.136 30.235 30.300 0.119 0.000 0.866 382 R HN 0.633 nan 8.270 nan 0.000 0.446 383 E N -0.611 119.711 120.200 0.204 0.000 2.158 383 E HA 0.103 4.718 4.350 0.441 0.000 0.191 383 E C 0.922 177.622 176.600 0.167 0.000 0.982 383 E CA 1.041 57.568 56.400 0.212 0.000 0.823 383 E CB 0.472 30.349 29.700 0.294 0.000 0.766 383 E HN 0.523 nan 8.360 nan 0.000 0.468 384 G N 0.159 109.071 108.800 0.186 0.000 2.344 384 G HA2 0.072 4.297 3.960 0.441 0.000 0.282 384 G HA3 0.072 4.297 3.960 0.441 0.000 0.282 384 G C -1.822 172.995 174.900 -0.138 0.000 1.281 384 G CA -0.771 44.296 45.100 -0.056 0.000 0.877 384 G HN -0.084 nan 8.290 nan 0.000 0.494 385 D N 0.071 120.231 120.400 -0.399 0.000 2.185 385 D HA 0.748 5.653 4.640 0.441 0.000 0.247 385 D C -0.942 174.993 176.300 -0.607 0.000 1.027 385 D CA 0.223 54.068 54.000 -0.259 0.000 0.861 385 D CB 1.614 42.359 40.800 -0.092 0.000 1.202 385 D HN 0.183 nan 8.370 nan 0.000 0.453 386 F N 0.460 120.494 119.950 0.140 0.000 2.576 386 F HA 0.315 5.107 4.527 0.442 0.000 0.313 386 F C -0.053 175.824 175.800 0.127 0.000 1.078 386 F CA -1.135 56.952 58.000 0.146 0.000 0.921 386 F CB 1.518 40.620 39.000 0.170 0.000 1.232 386 F HN 0.002 nan 8.300 nan 0.000 0.459 387 L N 2.171 123.553 121.223 0.265 0.000 2.326 387 L HA 0.801 5.406 4.340 0.441 0.000 0.278 387 L C -0.205 176.594 176.870 -0.117 0.000 1.092 387 L CA 0.286 55.188 54.840 0.103 0.000 0.810 387 L CB 0.716 42.886 42.059 0.184 0.000 1.153 387 L HN 0.804 nan 8.230 nan 0.000 0.439 388 G N 5.254 113.636 108.800 -0.697 0.000 2.619 388 G HA2 0.668 4.893 3.960 0.441 0.000 0.296 388 G HA3 0.668 4.893 3.960 0.441 0.000 0.296 388 G C -1.441 172.630 174.900 -1.381 0.000 1.334 388 G CA -0.537 43.773 45.100 -1.317 0.000 0.934 388 G HN 0.563 nan 8.290 nan 0.000 0.476 389 I N 0.245 120.386 120.570 -0.716 0.000 2.689 389 I HA 0.547 4.981 4.170 0.441 0.000 0.299 389 I C -1.314 174.925 176.117 0.204 0.000 1.059 389 I CA -1.028 60.146 61.300 -0.210 0.000 1.055 389 I CB 2.571 40.461 38.000 -0.184 0.000 1.243 389 I HN 0.546 nan 8.210 nan 0.000 0.425 390 Y N 4.066 124.454 120.300 0.147 0.000 2.544 390 Y HA 0.486 5.301 4.550 0.441 0.000 0.342 390 Y C -1.837 174.079 175.900 0.026 0.000 1.062 390 Y CA -1.224 56.963 58.100 0.145 0.000 1.023 390 Y CB 1.880 40.482 38.460 0.236 0.000 1.308 390 Y HN 0.490 nan 8.280 nan 0.000 0.457 391 D N 4.099 124.028 120.400 -0.785 0.000 2.469 391 D HA 0.142 5.047 4.640 0.441 0.000 0.251 391 D C -0.318 175.294 176.300 -1.147 0.000 1.173 391 D CA -0.441 53.063 54.000 -0.826 0.000 0.882 391 D CB 0.477 41.022 40.800 -0.425 0.000 1.129 391 D HN 0.600 nan 8.370 nan 0.000 0.549 392 Y N 2.640 122.421 120.300 -0.865 0.000 2.553 392 Y HA 0.222 5.037 4.550 0.440 0.000 0.303 392 Y C 1.824 177.607 175.900 -0.196 0.000 1.194 392 Y CA -0.052 57.750 58.100 -0.497 0.000 1.305 392 Y CB -0.227 38.149 38.460 -0.140 0.000 1.045 392 Y HN 0.274 nan 8.280 nan 0.000 0.514 393 R N 0.696 121.066 120.500 -0.217 0.000 2.119 393 R HA -0.012 4.593 4.340 0.441 0.000 0.202 393 R C 2.150 178.404 176.300 -0.076 0.000 1.114 393 R CA 1.276 57.326 56.100 -0.083 0.000 1.089 393 R CB -0.328 29.896 30.300 -0.126 0.000 1.000 393 R HN 0.394 nan 8.270 nan 0.000 0.487 394 T N -3.181 111.296 114.554 -0.128 0.000 2.937 394 T HA 0.203 4.817 4.350 0.441 0.000 0.260 394 T C 1.497 176.171 174.700 -0.043 0.000 1.051 394 T CA 1.196 63.250 62.100 -0.076 0.000 1.141 394 T CB 0.368 69.185 68.868 -0.085 0.000 0.879 394 T HN 0.492 nan 8.240 nan 0.000 0.459 395 G N 2.015 110.774 108.800 -0.068 0.000 2.259 395 G HA2 -0.224 4.001 3.960 0.441 0.000 0.217 395 G HA3 -0.224 4.001 3.960 0.441 0.000 0.217 395 G C 0.145 175.107 174.900 0.103 0.000 1.001 395 G CA 0.013 45.145 45.100 0.054 0.000 0.627 395 G HN 1.010 nan 8.290 nan 0.000 0.501 396 K N 0.126 120.537 120.400 0.018 0.000 2.527 396 K HA 0.517 5.101 4.320 0.441 0.000 0.278 396 K C 0.005 176.679 176.600 0.124 0.000 0.981 396 K CA 0.633 56.944 56.287 0.039 0.000 1.009 396 K CB 1.026 33.519 32.500 -0.012 0.000 0.895 396 K HN 1.362 nan 8.250 nan 0.000 0.493 397 A N 3.057 125.956 122.820 0.130 0.000 3.005 397 A HA 0.131 4.716 4.320 0.441 0.000 0.308 397 A C -0.634 176.987 177.584 0.062 0.000 1.173 397 A CA -0.748 51.406 52.037 0.196 0.000 0.796 397 A CB 0.304 19.468 19.000 0.273 0.000 1.325 397 A HN 0.896 nan 8.150 nan 0.000 0.467 398 E N 1.187 121.364 120.200 -0.038 0.000 2.409 398 E HA 0.378 4.993 4.350 0.441 0.000 0.257 398 E C -0.295 176.164 176.600 -0.235 0.000 1.150 398 E CA -0.062 56.248 56.400 -0.149 0.000 0.942 398 E CB 0.589 30.148 29.700 -0.233 0.000 0.979 398 E HN 0.405 nan 8.360 nan 0.000 0.447 399 K N 3.501 123.747 120.400 -0.257 0.000 2.716 399 K HA 0.201 4.786 4.320 0.441 0.000 0.249 399 K C -1.205 175.302 176.600 -0.155 0.000 1.004 399 K CA -0.369 55.775 56.287 -0.239 0.000 0.968 399 K CB 0.393 32.833 32.500 -0.100 0.000 1.214 399 K HN 0.392 nan 8.250 nan 0.000 0.476 400 F N 1.846 121.787 119.950 -0.015 0.000 2.633 400 F HA -0.077 4.715 4.527 0.440 0.000 0.338 400 F C 1.699 177.527 175.800 0.047 0.000 1.206 400 F CA 0.060 58.074 58.000 0.023 0.000 1.378 400 F CB 0.636 39.663 39.000 0.044 0.000 1.116 400 F HN 0.556 nan 8.300 nan 0.000 0.615 401 E N -0.271 120.108 120.200 0.299 0.000 2.413 401 E HA 0.010 4.624 4.350 0.441 0.000 0.203 401 E C -0.035 176.797 176.600 0.387 0.000 0.957 401 E CA 0.177 56.692 56.400 0.191 0.000 0.950 401 E CB -0.186 29.571 29.700 0.096 0.000 0.957 401 E HN 0.506 nan 8.360 nan 0.000 0.497 402 E N 2.457 122.836 120.200 0.298 0.000 2.491 402 E HA -0.025 4.590 4.350 0.441 0.000 0.250 402 E C -0.084 176.654 176.600 0.229 0.000 1.061 402 E CA 0.111 56.633 56.400 0.203 0.000 0.942 402 E CB -0.224 29.508 29.700 0.053 0.000 0.957 402 E HN 0.183 nan 8.360 nan 0.000 0.480 403 N N 3.343 122.121 118.700 0.130 0.000 2.475 403 N HA 0.006 5.011 4.740 0.441 0.000 0.267 403 N C 0.683 176.060 175.510 -0.220 0.000 1.169 403 N CA -0.237 52.665 53.050 -0.246 0.000 0.947 403 N CB 0.475 38.892 38.487 -0.116 0.000 1.061 403 N HN 0.358 nan 8.380 nan 0.000 0.466 404 L N 2.871 123.907 121.223 -0.312 0.000 2.640 404 L HA 0.379 4.983 4.340 0.441 0.000 0.230 404 L C 1.348 178.141 176.870 -0.129 0.000 1.123 404 L CA 0.023 54.769 54.840 -0.156 0.000 0.900 404 L CB -0.662 41.338 42.059 -0.099 0.000 1.146 404 L HN 0.884 nan 8.230 nan 0.000 0.484 405 G N 1.024 109.716 108.800 -0.180 0.000 2.484 405 G HA2 -0.231 3.994 3.960 0.441 0.000 0.225 405 G HA3 -0.231 3.994 3.960 0.441 0.000 0.225 405 G C -0.505 174.357 174.900 -0.064 0.000 1.250 405 G CA -0.615 44.425 45.100 -0.101 0.000 0.926 405 G HN 0.200 nan 8.290 nan 0.000 0.581 406 N N 0.928 119.651 118.700 0.039 0.000 2.527 406 N HA 0.425 5.430 4.740 0.441 0.000 0.236 406 N C 0.150 175.794 175.510 0.224 0.000 0.999 406 N CA -0.146 52.976 53.050 0.120 0.000 0.935 406 N CB 1.658 40.298 38.487 0.257 0.000 1.132 406 N HN 0.540 nan 8.380 nan 0.000 0.511 407 V N 2.480 122.442 119.914 0.079 0.000 2.637 407 V HA 0.127 4.512 4.120 0.441 0.000 0.296 407 V C 0.619 176.755 176.094 0.069 0.000 1.046 407 V CA 0.405 62.786 62.300 0.136 0.000 1.066 407 V CB 0.196 32.089 31.823 0.116 0.000 0.968 407 V HN 0.548 nan 8.190 nan 0.000 0.483 408 F N 1.824 121.851 119.950 0.128 0.000 2.798 408 F HA 0.639 5.430 4.527 0.439 0.000 0.328 408 F C 0.677 176.406 175.800 -0.118 0.000 1.098 408 F CA 0.418 58.498 58.000 0.133 0.000 1.172 408 F CB 0.645 39.722 39.000 0.129 0.000 1.072 408 F HN 0.555 nan 8.300 nan 0.000 0.555 409 A N 1.145 123.929 122.820 -0.060 0.000 2.566 409 A HA 0.760 5.345 4.320 0.441 0.000 0.297 409 A C -1.405 176.155 177.584 -0.040 0.000 1.059 409 A CA -0.446 51.494 52.037 -0.162 0.000 0.691 409 A CB 1.872 20.914 19.000 0.070 0.000 1.282 409 A HN 0.005 nan 8.150 nan 0.000 0.401 410 M N 2.106 121.641 119.600 -0.109 0.000 2.284 410 M HA 0.572 5.317 4.480 0.441 0.000 0.281 410 M C -0.713 175.664 176.300 0.127 0.000 1.083 410 M CA -0.025 55.321 55.300 0.077 0.000 0.965 410 M CB 1.780 34.360 32.600 -0.033 0.000 1.717 410 M HN 1.304 nan 8.290 nan 0.000 0.479 411 G N 2.668 111.634 108.800 0.277 0.000 2.642 411 G HA2 0.762 4.987 3.960 0.441 0.000 0.293 411 G HA3 0.762 4.987 3.960 0.441 0.000 0.293 411 G C -1.965 173.009 174.900 0.123 0.000 1.341 411 G CA -0.463 44.765 45.100 0.213 0.000 0.916 411 G HN 0.538 nan 8.290 nan 0.000 0.474 412 V N 1.468 121.407 119.914 0.042 0.000 2.735 412 V HA 0.390 4.775 4.120 0.441 0.000 0.310 412 V C -0.452 175.544 176.094 -0.164 0.000 1.061 412 V CA -0.937 61.319 62.300 -0.074 0.000 0.913 412 V CB 1.896 33.696 31.823 -0.039 0.000 1.005 412 V HN 0.976 nan 8.190 nan 0.000 0.428 413 D N 3.512 123.655 120.400 -0.429 0.000 2.361 413 D HA 0.015 4.920 4.640 0.441 0.000 0.239 413 D C 0.895 177.082 176.300 -0.188 0.000 1.200 413 D CA -0.434 53.318 54.000 -0.414 0.000 0.915 413 D CB 1.174 41.473 40.800 -0.836 0.000 1.170 413 D HN 0.489 nan 8.370 nan 0.000 0.444 414 R N 0.330 120.772 120.500 -0.095 0.000 2.189 414 R HA -0.091 4.514 4.340 0.441 0.000 0.218 414 R C 1.575 177.853 176.300 -0.037 0.000 1.074 414 R CA 0.728 56.807 56.100 -0.035 0.000 0.991 414 R CB -0.163 30.140 30.300 0.005 0.000 0.883 414 R HN 0.604 nan 8.270 nan 0.000 0.457 415 N N -0.615 118.051 118.700 -0.056 0.000 2.336 415 N HA -0.021 4.984 4.740 0.441 0.000 0.189 415 N C 0.153 175.642 175.510 -0.036 0.000 1.113 415 N CA 0.504 53.538 53.050 -0.027 0.000 0.858 415 N CB 0.402 38.890 38.487 0.002 0.000 0.970 415 N HN 0.329 nan 8.380 nan 0.000 0.471 416 G N 1.707 110.461 108.800 -0.077 0.000 2.225 416 G HA2 -0.300 3.925 3.960 0.441 0.000 0.267 416 G HA3 -0.300 3.925 3.960 0.441 0.000 0.267 416 G C 0.724 175.609 174.900 -0.025 0.000 1.024 416 G CA 0.598 45.663 45.100 -0.060 0.000 0.784 416 G HN 0.435 nan 8.290 nan 0.000 0.507 417 K N -1.409 118.982 120.400 -0.015 0.000 2.313 417 K HA 0.358 4.943 4.320 0.441 0.000 0.197 417 K C 0.889 177.600 176.600 0.185 0.000 1.061 417 K CA 1.039 57.385 56.287 0.098 0.000 0.980 417 K CB 0.420 33.022 32.500 0.169 0.000 0.888 417 K HN 0.666 nan 8.250 nan 0.000 0.502 418 F N -0.846 119.123 119.950 0.032 0.000 2.675 418 F HA 0.784 5.572 4.527 0.435 0.000 0.324 418 F C -1.389 174.436 175.800 0.042 0.000 1.106 418 F CA -1.637 56.380 58.000 0.029 0.000 0.970 418 F CB 1.080 40.089 39.000 0.015 0.000 1.385 418 F HN -0.247 nan 8.300 nan 0.000 0.489 419 A N 0.839 123.789 122.820 0.217 0.000 2.454 419 A HA 0.788 5.373 4.320 0.441 0.000 0.302 419 A C -1.888 175.817 177.584 0.201 0.000 1.079 419 A CA -0.893 51.203 52.037 0.099 0.000 0.731 419 A CB 1.703 20.753 19.000 0.084 0.000 1.299 419 A HN 0.809 nan 8.150 nan 0.000 0.413 420 V N 1.451 121.434 119.914 0.114 0.000 2.459 420 V HA 0.590 4.975 4.120 0.441 0.000 0.295 420 V C -0.491 175.526 176.094 -0.128 0.000 1.029 420 V CA -0.327 61.924 62.300 -0.080 0.000 0.874 420 V CB 1.434 33.069 31.823 -0.313 0.000 0.985 420 V HN 0.707 nan 8.190 nan 0.000 0.438 421 V N 3.298 123.104 119.914 -0.180 0.000 2.789 421 V HA 0.900 5.285 4.120 0.441 0.000 0.311 421 V C -0.003 176.040 176.094 -0.085 0.000 1.073 421 V CA -0.679 61.587 62.300 -0.056 0.000 0.921 421 V CB 1.975 33.797 31.823 -0.001 0.000 1.009 421 V HN 0.977 nan 8.190 nan 0.000 0.426 422 A N 3.805 126.667 122.820 0.069 0.000 2.355 422 A HA 0.878 5.462 4.320 0.441 0.000 0.317 422 A C -0.426 177.258 177.584 0.166 0.000 1.094 422 A CA -0.715 51.387 52.037 0.109 0.000 0.764 422 A CB 1.028 20.171 19.000 0.238 0.000 1.230 422 A HN 1.042 nan 8.150 nan 0.000 0.448 423 N N 0.310 119.099 118.700 0.149 0.000 2.701 423 N HA 0.376 5.381 4.740 0.441 0.000 0.290 423 N C -0.576 175.041 175.510 0.180 0.000 1.338 423 N CA -0.515 52.653 53.050 0.196 0.000 0.799 423 N CB 1.154 39.696 38.487 0.093 0.000 1.491 423 N HN 0.458 nan 8.380 nan 0.000 0.540 424 D N -0.360 120.129 120.400 0.149 0.000 2.363 424 D HA -0.069 4.836 4.640 0.441 0.000 0.226 424 D C 0.810 176.991 176.300 -0.198 0.000 1.020 424 D CA 0.385 54.391 54.000 0.010 0.000 0.892 424 D CB -0.150 40.651 40.800 0.002 0.000 0.900 424 D HN 0.455 nan 8.370 nan 0.000 0.531 425 R N -0.662 119.749 120.500 -0.149 0.000 2.317 425 R HA 0.239 4.844 4.340 0.441 0.000 0.208 425 R C 0.155 176.316 176.300 -0.233 0.000 0.914 425 R CA -0.192 55.727 56.100 -0.302 0.000 1.060 425 R CB -0.197 30.011 30.300 -0.153 0.000 1.015 425 R HN 0.107 nan 8.270 nan 0.000 0.498 426 F N 0.158 120.072 119.950 -0.060 0.000 2.965 426 F HA -0.275 4.519 4.527 0.445 0.000 0.287 426 F C -0.283 175.484 175.800 -0.054 0.000 0.790 426 F CA -0.010 57.948 58.000 -0.070 0.000 1.279 426 F CB -1.557 37.389 39.000 -0.090 0.000 1.409 426 F HN 0.193 nan 8.300 nan 0.000 0.446 427 E N 1.246 121.510 120.200 0.107 0.000 2.222 427 E HA 0.720 5.335 4.350 0.441 0.000 0.272 427 E C -0.298 176.271 176.600 -0.051 0.000 0.982 427 E CA -0.928 55.482 56.400 0.016 0.000 0.842 427 E CB 3.040 32.725 29.700 -0.025 0.000 1.144 427 E HN 0.327 nan 8.360 nan 0.000 0.397 428 I N 3.259 123.738 120.570 -0.151 0.000 2.498 428 I HA 0.426 4.861 4.170 0.441 0.000 0.290 428 I C -0.989 174.944 176.117 -0.306 0.000 1.032 428 I CA -0.551 60.570 61.300 -0.299 0.000 1.073 428 I CB 0.833 38.515 38.000 -0.530 0.000 1.251 428 I HN 0.631 nan 8.210 nan 0.000 0.426 429 M N 5.207 124.635 119.600 -0.287 0.000 2.683 429 M HA 0.569 5.314 4.480 0.441 0.000 0.274 429 M C -1.578 174.609 176.300 -0.188 0.000 1.272 429 M CA -0.515 54.645 55.300 -0.233 0.000 0.833 429 M CB 2.210 34.718 32.600 -0.154 0.000 1.708 429 M HN 0.499 nan 8.290 nan 0.000 0.463 430 T N 0.117 114.585 114.554 -0.144 0.000 2.791 430 T HA 0.666 5.280 4.350 0.441 0.000 0.288 430 T C -0.621 174.071 174.700 -0.014 0.000 0.999 430 T CA -0.645 61.431 62.100 -0.040 0.000 0.952 430 T CB 1.040 69.826 68.868 -0.136 0.000 0.938 430 T HN 0.535 nan 8.240 nan 0.000 0.444 431 V N 3.640 123.586 119.914 0.053 0.000 2.383 431 V HA 0.290 4.675 4.120 0.441 0.000 0.275 431 V C 0.596 176.729 176.094 0.064 0.000 1.036 431 V CA -0.911 61.401 62.300 0.021 0.000 0.889 431 V CB 1.221 33.064 31.823 0.033 0.000 0.985 431 V HN 0.962 nan 8.190 nan 0.000 0.459 432 D N 3.842 124.234 120.400 -0.015 0.000 2.434 432 D HA 0.057 4.962 4.640 0.441 0.000 0.252 432 D C 0.982 177.300 176.300 0.029 0.000 1.185 432 D CA 0.130 54.137 54.000 0.011 0.000 0.886 432 D CB 1.222 41.982 40.800 -0.067 0.000 1.148 432 D HN 0.501 nan 8.370 nan 0.000 0.483 433 L N 3.141 124.449 121.223 0.142 0.000 2.551 433 L HA -0.071 4.534 4.340 0.441 0.000 0.228 433 L C 1.997 179.045 176.870 0.296 0.000 1.153 433 L CA 0.578 55.559 54.840 0.234 0.000 0.851 433 L CB -0.020 42.130 42.059 0.151 0.000 0.959 433 L HN 0.486 nan 8.230 nan 0.000 0.451 434 E N -0.496 119.806 120.200 0.170 0.000 2.094 434 E HA -0.115 4.499 4.350 0.441 0.000 0.193 434 E C 2.185 178.864 176.600 0.131 0.000 0.950 434 E CA 1.172 57.671 56.400 0.165 0.000 0.842 434 E CB 0.238 29.987 29.700 0.081 0.000 0.816 434 E HN 0.373 nan 8.360 nan 0.000 0.465 435 T N -2.862 111.656 114.554 -0.060 0.000 2.809 435 T HA 0.114 4.729 4.350 0.441 0.000 0.260 435 T C 1.618 175.948 174.700 -0.616 0.000 1.039 435 T CA 1.345 63.337 62.100 -0.180 0.000 1.141 435 T CB 0.208 68.993 68.868 -0.140 0.000 0.869 435 T HN 0.359 nan 8.240 nan 0.000 0.437 436 G N 1.059 109.308 108.800 -0.918 0.000 2.231 436 G HA2 -0.190 4.035 3.960 0.441 0.000 0.206 436 G HA3 -0.190 4.035 3.960 0.441 0.000 0.206 436 G C 0.039 174.585 174.900 -0.591 0.000 0.996 436 G CA 0.117 44.288 45.100 -1.549 0.000 0.645 436 G HN 0.826 nan 8.290 nan 0.000 0.498 437 K N 2.523 122.712 120.400 -0.351 0.000 2.412 437 K HA 0.329 4.914 4.320 0.441 0.000 0.284 437 K C -1.929 174.587 176.600 -0.141 0.000 1.046 437 K CA -0.947 55.226 56.287 -0.189 0.000 0.999 437 K CB 0.885 33.304 32.500 -0.135 0.000 0.941 437 K HN 0.219 nan 8.250 nan 0.000 0.474 438 P HA 0.182 nan 4.420 nan 0.000 0.279 438 P C -1.157 176.090 177.300 -0.088 0.000 1.252 438 P CA -0.468 62.581 63.100 -0.085 0.000 0.811 438 P CB 1.227 32.885 31.700 -0.070 0.000 1.035 439 T N 0.317 114.811 114.554 -0.101 0.000 3.187 439 T HA 0.188 4.803 4.350 0.441 0.000 0.328 439 T C -0.255 174.353 174.700 -0.154 0.000 0.951 439 T CA -0.397 61.635 62.100 -0.115 0.000 1.049 439 T CB 0.499 69.299 68.868 -0.114 0.000 1.015 439 T HN 0.080 nan 8.240 nan 0.000 0.461 440 V N 4.935 124.766 119.914 -0.139 0.000 2.585 440 V HA 0.173 4.557 4.120 0.441 0.000 0.296 440 V C 1.286 177.246 176.094 -0.222 0.000 1.035 440 V CA 0.370 62.573 62.300 -0.161 0.000 1.084 440 V CB 0.336 32.093 31.823 -0.110 0.000 0.953 440 V HN 0.833 nan 8.190 nan 0.000 0.483 441 I N 2.323 122.709 120.570 -0.307 0.000 2.499 441 I HA 0.234 4.669 4.170 0.441 0.000 0.243 441 I C 0.984 176.955 176.117 -0.242 0.000 1.085 441 I CA 0.716 61.755 61.300 -0.436 0.000 1.422 441 I CB 0.329 37.928 38.000 -0.670 0.000 1.165 441 I HN 0.696 nan 8.210 nan 0.000 0.440 442 E N 0.392 120.492 120.200 -0.168 0.000 2.412 442 E HA 0.430 5.045 4.350 0.441 0.000 0.279 442 E C -1.077 175.563 176.600 0.067 0.000 0.984 442 E CA -0.754 55.636 56.400 -0.017 0.000 0.788 442 E CB 2.464 32.201 29.700 0.060 0.000 1.277 442 E HN -0.037 nan 8.360 nan 0.000 0.455 443 R N 1.840 122.444 120.500 0.172 0.000 2.513 443 R HA 0.383 4.988 4.340 0.441 0.000 0.301 443 R C -1.212 175.277 176.300 0.315 0.000 0.968 443 R CA -0.407 55.811 56.100 0.196 0.000 0.872 443 R CB 1.972 32.334 30.300 0.103 0.000 1.177 443 R HN 0.444 nan 8.270 nan 0.000 0.444 444 S N 1.901 117.719 115.700 0.197 0.000 2.632 444 S HA 0.261 4.996 4.470 0.441 0.000 0.271 444 S C 0.710 175.375 174.600 0.108 0.000 1.260 444 S CA -0.701 57.437 58.200 -0.103 0.000 1.010 444 S CB 0.781 63.662 63.200 -0.532 0.000 0.965 444 S HN 0.780 nan 8.310 nan 0.000 0.534 445 R N 1.337 121.849 120.500 0.020 0.000 2.472 445 R HA 0.376 4.980 4.340 0.441 0.000 0.279 445 R C -0.010 176.358 176.300 0.114 0.000 0.953 445 R CA -0.316 55.891 56.100 0.178 0.000 1.088 445 R CB 0.121 30.478 30.300 0.094 0.000 1.197 445 R HN 0.447 nan 8.270 nan 0.000 0.536 446 E N 0.970 121.033 120.200 -0.229 0.000 2.288 446 E HA 0.330 4.945 4.350 0.441 0.000 0.200 446 E C 0.503 176.618 176.600 -0.808 0.000 0.880 446 E CA 0.740 56.933 56.400 -0.344 0.000 0.971 446 E CB 0.921 30.434 29.700 -0.310 0.000 0.954 446 E HN 0.318 nan 8.360 nan 0.000 0.489 447 A N 0.369 122.380 122.820 -1.349 0.000 2.515 447 A HA 0.661 5.245 4.320 0.441 0.000 0.299 447 A C -0.944 175.861 177.584 -1.298 0.000 1.179 447 A CA -0.717 50.459 52.037 -1.435 0.000 0.656 447 A CB 0.569 19.209 19.000 -0.599 0.000 1.306 447 A HN 0.007 nan 8.150 nan 0.000 0.459 448 M N 0.538 119.786 119.600 -0.586 0.000 2.241 448 M HA 0.340 5.085 4.480 0.441 0.000 0.335 448 M C -0.519 175.717 176.300 -0.106 0.000 1.122 448 M CA 0.422 55.621 55.300 -0.167 0.000 1.164 448 M CB 0.370 32.955 32.600 -0.027 0.000 1.459 448 M HN 0.457 nan 8.290 nan 0.000 0.461 449 I N 2.281 122.856 120.570 0.008 0.000 2.325 449 I HA 0.067 4.502 4.170 0.441 0.000 0.285 449 I C 1.111 177.366 176.117 0.229 0.000 1.128 449 I CA -0.128 61.222 61.300 0.083 0.000 1.261 449 I CB -0.235 37.791 38.000 0.044 0.000 1.529 449 I HN 0.810 nan 8.210 nan 0.000 0.557 450 T N -2.210 112.454 114.554 0.183 0.000 3.060 450 T HA 0.043 4.658 4.350 0.441 0.000 0.249 450 T C 0.595 175.321 174.700 0.044 0.000 1.079 450 T CA -0.093 62.117 62.100 0.184 0.000 1.013 450 T CB 0.024 68.946 68.868 0.090 0.000 0.975 450 T HN 0.255 nan 8.240 nan 0.000 0.518 451 D N 1.493 121.973 120.400 0.133 0.000 2.485 451 D HA 0.430 5.334 4.640 0.441 0.000 0.221 451 D C -0.723 175.709 176.300 0.221 0.000 1.112 451 D CA -1.054 52.984 54.000 0.062 0.000 0.911 451 D CB -0.189 40.680 40.800 0.114 0.000 1.019 451 D HN 0.489 nan 8.370 nan 0.000 0.516 452 F N -0.025 120.014 119.950 0.148 0.000 2.664 452 F HA 0.754 5.540 4.527 0.431 0.000 0.317 452 F C -0.679 175.230 175.800 0.182 0.000 1.108 452 F CA -1.013 57.112 58.000 0.209 0.000 0.957 452 F CB 1.866 41.007 39.000 0.234 0.000 1.365 452 F HN -0.010 nan 8.300 nan 0.000 0.475 453 T N 1.177 116.057 114.554 0.543 0.000 2.889 453 T HA 0.674 5.289 4.350 0.441 0.000 0.315 453 T C -1.683 173.362 174.700 0.575 0.000 1.291 453 T CA -0.605 61.761 62.100 0.443 0.000 1.028 453 T CB 1.434 70.470 68.868 0.280 0.000 1.235 453 T HN 0.698 nan 8.240 nan 0.000 0.491 454 I N 3.481 124.344 120.570 0.489 0.000 2.404 454 I HA 0.391 4.825 4.170 0.441 0.000 0.293 454 I C 0.840 177.170 176.117 0.356 0.000 0.992 454 I CA -0.951 60.610 61.300 0.435 0.000 1.149 454 I CB 2.103 40.275 38.000 0.286 0.000 1.315 454 I HN 0.750 nan 8.210 nan 0.000 0.446 455 S N 2.435 118.188 115.700 0.087 0.000 2.573 455 S HA 0.046 4.781 4.470 0.441 0.000 0.277 455 S C 0.503 175.110 174.600 0.011 0.000 1.346 455 S CA -0.547 57.524 58.200 -0.214 0.000 1.034 455 S CB 0.933 63.721 63.200 -0.687 0.000 0.879 455 S HN 0.580 nan 8.310 nan 0.000 0.528 456 D N 1.527 121.961 120.400 0.058 0.000 2.265 456 D HA -0.111 4.794 4.640 0.441 0.000 0.208 456 D C 1.270 177.593 176.300 0.039 0.000 0.977 456 D CA 1.455 55.495 54.000 0.065 0.000 0.871 456 D CB -0.427 40.423 40.800 0.085 0.000 0.925 456 D HN 0.840 nan 8.370 nan 0.000 0.485 457 N N -0.857 117.855 118.700 0.020 0.000 2.314 457 N HA 0.017 5.022 4.740 0.441 0.000 0.200 457 N C -0.151 175.354 175.510 -0.009 0.000 1.135 457 N CA 0.017 53.075 53.050 0.012 0.000 0.835 457 N CB 0.231 38.735 38.487 0.028 0.000 0.989 457 N HN -0.268 nan 8.380 nan 0.000 0.478 458 S N -0.938 114.775 115.700 0.021 0.000 3.402 458 S HA -0.266 4.469 4.470 0.441 0.000 0.329 458 S C 1.027 175.651 174.600 0.041 0.000 1.194 458 S CA 1.185 59.460 58.200 0.125 0.000 0.951 458 S CB -1.251 62.071 63.200 0.203 0.000 0.975 458 S HN 0.786 nan 8.310 nan 0.000 0.574 459 R N -0.682 119.685 120.500 -0.221 0.000 2.225 459 R HA 0.309 4.913 4.340 0.441 0.000 0.194 459 R C -0.145 175.697 176.300 -0.764 0.000 0.957 459 R CA 0.578 56.333 56.100 -0.575 0.000 1.042 459 R CB 0.390 30.136 30.300 -0.923 0.000 1.004 459 R HN 0.369 nan 8.270 nan 0.000 0.509 460 F N 0.397 120.231 119.950 -0.194 0.000 2.522 460 F HA 0.507 5.309 4.527 0.458 0.000 0.324 460 F C -0.271 175.603 175.800 0.124 0.000 1.077 460 F CA -1.115 56.804 58.000 -0.135 0.000 0.944 460 F CB 1.946 40.740 39.000 -0.344 0.000 1.175 460 F HN -0.226 nan 8.300 nan 0.000 0.468 461 I N 2.451 123.346 120.570 0.542 0.000 2.448 461 I HA 0.507 4.942 4.170 0.441 0.000 0.281 461 I C -0.631 175.894 176.117 0.680 0.000 1.027 461 I CA -0.613 61.061 61.300 0.623 0.000 1.111 461 I CB 1.494 39.825 38.000 0.552 0.000 1.236 461 I HN 0.681 nan 8.210 nan 0.000 0.452 462 A N 6.798 130.007 122.820 0.648 0.000 2.312 462 A HA 0.885 5.470 4.320 0.441 0.000 0.326 462 A C -1.140 176.666 177.584 0.370 0.000 1.172 462 A CA -0.233 51.987 52.037 0.305 0.000 0.821 462 A CB 0.680 19.673 19.000 -0.011 0.000 1.166 462 A HN 0.708 nan 8.150 nan 0.000 0.493 463 Y N -1.116 119.302 120.300 0.196 0.000 2.624 463 Y HA 0.657 5.480 4.550 0.455 0.000 0.334 463 Y C 0.093 176.055 175.900 0.103 0.000 1.155 463 Y CA -0.952 57.268 58.100 0.200 0.000 1.046 463 Y CB 0.598 39.218 38.460 0.267 0.000 1.316 463 Y HN 0.863 nan 8.280 nan 0.000 0.457 464 G N 1.484 110.416 108.800 0.219 0.000 2.355 464 G HA2 0.392 4.617 3.960 0.441 0.000 0.276 464 G HA3 0.392 4.617 3.960 0.441 0.000 0.276 464 G C -1.865 173.112 174.900 0.129 0.000 1.198 464 G CA -0.361 44.779 45.100 0.066 0.000 0.876 464 G HN 0.691 nan 8.290 nan 0.000 0.478 465 F N 6.242 126.067 119.950 -0.208 0.000 2.325 465 F HA 0.452 5.239 4.527 0.433 0.000 0.369 465 F C -1.959 173.707 175.800 -0.222 0.000 1.095 465 F CA -2.950 54.902 58.000 -0.248 0.000 1.082 465 F CB 2.100 40.669 39.000 -0.718 0.000 1.289 465 F HN 0.259 nan 8.300 nan 0.000 0.462 466 P HA 0.218 nan 4.420 nan 0.000 0.271 466 P C -1.403 175.500 177.300 -0.662 0.000 1.216 466 P CA 0.099 62.883 63.100 -0.526 0.000 0.771 466 P CB 1.388 32.815 31.700 -0.455 0.000 0.864 467 L N 0.292 121.306 121.223 -0.348 0.000 2.568 467 L HA 0.751 5.356 4.340 0.441 0.000 0.257 467 L C -0.979 175.778 176.870 -0.188 0.000 1.024 467 L CA -0.815 53.885 54.840 -0.233 0.000 0.854 467 L CB 1.979 44.005 42.059 -0.056 0.000 1.460 467 L HN 0.117 nan 8.230 nan 0.000 0.409 468 K N -0.089 120.218 120.400 -0.155 0.000 2.464 468 K HA 0.443 5.028 4.320 0.441 0.000 0.253 468 K C -0.178 176.346 176.600 -0.126 0.000 0.933 468 K CA -0.852 55.349 56.287 -0.143 0.000 0.801 468 K CB 1.915 34.378 32.500 -0.062 0.000 1.271 468 K HN 0.698 nan 8.250 nan 0.000 0.430 469 H N 0.629 119.714 119.070 0.025 0.000 2.357 469 H HA -0.011 4.810 4.556 0.441 0.000 0.301 469 H C 0.943 176.282 175.328 0.019 0.000 1.082 469 H CA 1.121 57.183 56.048 0.023 0.000 1.342 469 H CB 0.452 30.227 29.762 0.021 0.000 1.389 469 H HN 0.689 nan 8.280 nan 0.000 0.511 470 G N -0.399 108.482 108.800 0.134 0.000 2.473 470 G HA2 0.209 4.434 3.960 0.441 0.000 0.321 470 G HA3 0.209 4.434 3.960 0.441 0.000 0.321 470 G C 0.652 175.573 174.900 0.035 0.000 1.200 470 G CA -0.367 44.777 45.100 0.074 0.000 0.963 470 G HN 0.185 nan 8.290 nan 0.000 0.483 471 E N -0.286 119.925 120.200 0.018 0.000 2.085 471 E HA -0.167 4.447 4.350 0.441 0.000 0.194 471 E C 1.668 178.261 176.600 -0.011 0.000 0.994 471 E CA 1.775 58.174 56.400 -0.001 0.000 0.801 471 E CB 0.023 29.716 29.700 -0.011 0.000 0.743 471 E HN 0.462 nan 8.360 nan 0.000 0.453 472 T N -0.675 113.874 114.554 -0.008 0.000 3.264 472 T HA 0.169 4.784 4.350 0.441 0.000 0.257 472 T C 0.091 174.793 174.700 0.003 0.000 0.976 472 T CA -0.558 61.532 62.100 -0.017 0.000 0.908 472 T CB 0.125 68.979 68.868 -0.024 0.000 1.082 472 T HN -0.046 nan 8.240 nan 0.000 0.567 473 D N 1.094 121.504 120.400 0.018 0.000 2.414 473 D HA 0.192 5.097 4.640 0.441 0.000 0.242 473 D C 1.301 177.612 176.300 0.020 0.000 1.129 473 D CA 0.347 54.375 54.000 0.047 0.000 0.885 473 D CB 1.502 42.345 40.800 0.071 0.000 1.198 473 D HN 0.394 nan 8.370 nan 0.000 0.437 474 G N 2.383 111.212 108.800 0.049 0.000 2.551 474 G HA2 -0.111 4.114 3.960 0.441 0.000 0.216 474 G HA3 -0.111 4.114 3.960 0.441 0.000 0.216 474 G C 0.107 174.854 174.900 -0.256 0.000 1.137 474 G CA 0.592 45.648 45.100 -0.074 0.000 0.798 474 G HN 0.422 nan 8.290 nan 0.000 0.536 475 Y N -1.364 118.936 120.300 0.000 0.000 2.524 475 Y HA 0.579 5.393 4.550 0.440 0.000 0.344 475 Y C -0.391 175.489 175.900 -0.033 0.000 1.012 475 Y CA -1.032 57.059 58.100 -0.015 0.000 1.068 475 Y CB 2.487 40.948 38.460 0.002 0.000 1.249 475 Y HN -0.201 nan 8.280 nan 0.000 0.468 476 V N 4.722 124.687 119.914 0.086 0.000 2.347 476 V HA 0.291 4.676 4.120 0.441 0.000 0.280 476 V C -0.134 175.980 176.094 0.033 0.000 1.021 476 V CA -0.789 61.512 62.300 0.001 0.000 0.847 476 V CB 0.779 32.561 31.823 -0.067 0.000 0.990 476 V HN 0.673 nan 8.190 nan 0.000 0.444 477 M N 3.626 123.212 119.600 -0.024 0.000 2.245 477 M HA 0.507 5.252 4.480 0.441 0.000 0.292 477 M C -0.227 176.041 176.300 -0.054 0.000 1.176 477 M CA -0.155 55.139 55.300 -0.010 0.000 1.035 477 M CB 0.630 33.185 32.600 -0.075 0.000 1.440 477 M HN 0.709 nan 8.290 nan 0.000 0.494 478 Q N 0.179 119.942 119.800 -0.062 0.000 2.271 478 Q HA 0.688 5.293 4.340 0.441 0.000 0.268 478 Q C -2.064 173.862 176.000 -0.124 0.000 1.021 478 Q CA -0.447 55.264 55.803 -0.153 0.000 0.802 478 Q CB 2.148 30.683 28.738 -0.339 0.000 1.282 478 Q HN 0.848 nan 8.270 nan 0.000 0.431 479 A N 4.645 127.414 122.820 -0.084 0.000 2.355 479 A HA 0.641 5.225 4.320 0.441 0.000 0.317 479 A C -0.701 176.820 177.584 -0.105 0.000 1.094 479 A CA -0.699 51.299 52.037 -0.064 0.000 0.764 479 A CB 0.895 19.924 19.000 0.048 0.000 1.230 479 A HN 0.719 nan 8.150 nan 0.000 0.448 480 I N 2.694 123.165 120.570 -0.166 0.000 2.529 480 I HA 0.207 4.641 4.170 0.441 0.000 0.284 480 I C -0.109 175.977 176.117 -0.051 0.000 1.082 480 I CA 0.259 61.431 61.300 -0.214 0.000 1.406 480 I CB 0.113 37.877 38.000 -0.394 0.000 1.405 480 I HN 0.568 nan 8.210 nan 0.000 0.548 481 H N 4.213 122.981 119.070 -0.504 0.000 2.569 481 H HA 0.624 5.439 4.556 0.432 0.000 0.357 481 H C -0.721 174.326 175.328 -0.469 0.000 1.153 481 H CA -0.786 54.942 56.048 -0.533 0.000 1.193 481 H CB 2.155 31.473 29.762 -0.740 0.000 1.602 481 H HN 0.196 nan 8.280 nan 0.000 0.523 482 V N 3.386 123.290 119.914 -0.017 0.000 2.483 482 V HA 0.126 4.511 4.120 0.441 0.000 0.297 482 V C -1.070 175.252 176.094 0.380 0.000 1.027 482 V CA -0.894 61.511 62.300 0.176 0.000 0.855 482 V CB 1.243 33.140 31.823 0.123 0.000 0.995 482 V HN 0.636 nan 8.190 nan 0.000 0.424 483 Y N 3.785 124.295 120.300 0.350 0.000 2.320 483 Y HA 0.560 5.371 4.550 0.435 0.000 0.334 483 Y C -0.100 175.990 175.900 0.317 0.000 1.055 483 Y CA -0.878 57.417 58.100 0.325 0.000 1.143 483 Y CB 1.354 39.994 38.460 0.300 0.000 1.193 483 Y HN 0.673 nan 8.280 nan 0.000 0.477 484 D N 6.535 126.746 120.400 -0.314 0.000 2.329 484 D HA 0.132 5.037 4.640 0.441 0.000 0.232 484 D C 0.853 176.683 176.300 -0.782 0.000 1.088 484 D CA -0.259 53.535 54.000 -0.342 0.000 0.835 484 D CB 1.099 41.889 40.800 -0.016 0.000 1.078 484 D HN 0.679 nan 8.370 nan 0.000 0.495 485 M N 1.845 121.056 119.600 -0.648 0.000 2.202 485 M HA -0.122 4.623 4.480 0.441 0.000 0.262 485 M C 0.291 176.381 176.300 -0.351 0.000 1.063 485 M CA 1.339 56.341 55.300 -0.497 0.000 1.097 485 M CB -0.522 31.861 32.600 -0.361 0.000 1.382 485 M HN 0.383 nan 8.290 nan 0.000 0.413 486 E N -0.481 119.528 120.200 -0.317 0.000 2.174 486 E HA 0.438 5.053 4.350 0.441 0.000 0.282 486 E C 0.933 177.447 176.600 -0.143 0.000 0.992 486 E CA 0.194 56.479 56.400 -0.192 0.000 0.803 486 E CB 0.909 30.510 29.700 -0.164 0.000 1.090 486 E HN 0.429 nan 8.360 nan 0.000 0.396 487 G N 3.711 112.457 108.800 -0.090 0.000 2.284 487 G HA2 -0.404 3.821 3.960 0.441 0.000 0.230 487 G HA3 -0.404 3.821 3.960 0.441 0.000 0.230 487 G C 0.434 175.304 174.900 -0.051 0.000 1.021 487 G CA -0.066 45.012 45.100 -0.037 0.000 0.619 487 G HN 0.594 nan 8.290 nan 0.000 0.510 488 R N -0.014 120.400 120.500 -0.144 0.000 3.251 488 R HA -0.199 4.406 4.340 0.441 0.000 0.249 488 R C 0.143 176.467 176.300 0.041 0.000 0.949 488 R CA 1.677 57.710 56.100 -0.111 0.000 0.645 488 R CB -1.973 28.362 30.300 0.059 0.000 1.065 488 R HN 0.873 nan 8.270 nan 0.000 0.452 489 K N 0.121 120.496 120.400 -0.041 0.000 2.375 489 K HA 0.605 5.190 4.320 0.441 0.000 0.249 489 K C -0.273 176.306 176.600 -0.034 0.000 0.942 489 K CA -1.008 55.241 56.287 -0.063 0.000 0.806 489 K CB 2.054 34.398 32.500 -0.259 0.000 1.227 489 K HN 0.004 nan 8.250 nan 0.000 0.430 490 I N 2.778 123.286 120.570 -0.103 0.000 2.342 490 I HA 0.288 4.722 4.170 0.441 0.000 0.291 490 I C -0.760 175.148 176.117 -0.349 0.000 1.010 490 I CA -0.699 60.587 61.300 -0.024 0.000 1.308 490 I CB 0.313 38.310 38.000 -0.006 0.000 1.400 490 I HN 0.429 nan 8.210 nan 0.000 0.488 491 F N 3.888 123.782 119.950 -0.093 0.000 2.523 491 F HA 0.639 5.430 4.527 0.439 0.000 0.329 491 F C 0.516 176.159 175.800 -0.261 0.000 1.061 491 F CA -0.878 57.038 58.000 -0.140 0.000 0.967 491 F CB 1.453 40.411 39.000 -0.071 0.000 1.218 491 F HN 0.375 nan 8.300 nan 0.000 0.480 492 A N 0.942 123.733 122.820 -0.049 0.000 2.279 492 A HA 0.622 5.207 4.320 0.441 0.000 0.306 492 A C 0.673 178.271 177.584 0.024 0.000 1.300 492 A CA 0.092 52.033 52.037 -0.159 0.000 0.925 492 A CB 0.225 19.095 19.000 -0.217 0.000 1.152 492 A HN 0.965 nan 8.150 nan 0.000 0.544 493 A N 2.584 125.374 122.820 -0.050 0.000 1.970 493 A HA 0.332 4.917 4.320 0.441 0.000 0.216 493 A C 1.384 178.920 177.584 -0.079 0.000 1.170 493 A CA 1.776 53.766 52.037 -0.079 0.000 0.645 493 A CB -0.257 18.611 19.000 -0.221 0.000 0.816 493 A HN 1.325 nan 8.150 nan 0.000 0.447 494 T N -3.645 110.826 114.554 -0.138 0.000 2.865 494 T HA 0.527 5.142 4.350 0.441 0.000 0.294 494 T C 0.024 174.610 174.700 -0.190 0.000 1.119 494 T CA 0.056 62.069 62.100 -0.144 0.000 1.007 494 T CB 1.061 69.765 68.868 -0.273 0.000 1.225 494 T HN 0.441 nan 8.240 nan 0.000 0.515 495 T N -0.691 113.751 114.554 -0.186 0.000 2.754 495 T HA 0.366 4.981 4.350 0.441 0.000 0.286 495 T C 0.276 174.913 174.700 -0.106 0.000 0.997 495 T CA -0.716 61.253 62.100 -0.218 0.000 0.982 495 T CB 0.282 69.066 68.868 -0.140 0.000 1.027 495 T HN 0.831 nan 8.240 nan 0.000 0.529 496 E N 0.259 120.427 120.200 -0.053 0.000 2.947 496 E HA 0.272 4.887 4.350 0.441 0.000 0.229 496 E C -0.385 176.252 176.600 0.062 0.000 1.158 496 E CA -0.448 55.947 56.400 -0.008 0.000 1.441 496 E CB -0.567 29.122 29.700 -0.019 0.000 1.414 496 E HN 0.681 nan 8.360 nan 0.000 0.432 497 N N 0.375 119.107 118.700 0.054 0.000 2.184 497 N HA -0.009 4.996 4.740 0.441 0.000 0.206 497 N C 0.173 175.718 175.510 0.057 0.000 1.151 497 N CA 0.256 53.362 53.050 0.093 0.000 0.878 497 N CB 0.850 39.368 38.487 0.053 0.000 1.014 497 N HN 0.295 nan 8.380 nan 0.000 0.512 498 S N -1.339 114.391 115.700 0.049 0.000 4.140 498 S HA 0.224 4.958 4.470 0.441 0.000 0.286 498 S C -1.287 173.402 174.600 0.148 0.000 1.074 498 S CA -0.747 57.502 58.200 0.083 0.000 1.289 498 S CB 1.404 64.654 63.200 0.083 0.000 1.584 498 S HN 0.041 nan 8.310 nan 0.000 0.675 499 H N 1.768 120.915 119.070 0.128 0.000 2.800 499 H HA 0.502 5.328 4.556 0.449 0.000 0.322 499 H C -1.795 173.728 175.328 0.325 0.000 0.979 499 H CA -0.305 55.860 56.048 0.194 0.000 1.277 499 H CB 0.765 30.657 29.762 0.218 0.000 1.484 499 H HN 0.543 nan 8.280 nan 0.000 0.512 500 D N 5.912 126.324 120.400 0.021 0.000 2.278 500 D HA 0.225 5.130 4.640 0.441 0.000 0.245 500 D C -0.281 176.089 176.300 0.118 0.000 1.052 500 D CA -0.137 53.939 54.000 0.127 0.000 0.834 500 D CB 2.123 42.881 40.800 -0.069 0.000 1.194 500 D HN 0.569 nan 8.370 nan 0.000 0.481 501 Y N -2.030 118.283 120.300 0.021 0.000 2.840 501 Y HA 0.560 5.413 4.550 0.507 0.000 0.324 501 Y C -0.019 175.945 175.900 0.106 0.000 1.378 501 Y CA -1.469 56.645 58.100 0.024 0.000 1.077 501 Y CB 0.614 39.121 38.460 0.078 0.000 1.361 501 Y HN 0.385 nan 8.280 nan 0.000 0.459 502 A N -0.008 122.892 122.820 0.134 0.000 2.687 502 A HA -0.131 4.454 4.320 0.441 0.000 0.299 502 A C -2.578 175.008 177.584 0.002 0.000 1.497 502 A CA 0.320 52.382 52.037 0.042 0.000 0.751 502 A CB -2.644 16.333 19.000 -0.037 0.000 1.048 502 A HN 0.595 nan 8.150 nan 0.000 0.464 503 P HA 0.455 nan 4.420 nan 0.000 0.269 503 P C -0.171 177.101 177.300 -0.047 0.000 1.215 503 P CA 0.851 63.939 63.100 -0.019 0.000 0.780 503 P CB 1.221 32.873 31.700 -0.080 0.000 0.898 504 A N 2.311 125.068 122.820 -0.104 0.000 2.513 504 A HA 0.618 5.203 4.320 0.441 0.000 0.296 504 A C -1.189 176.355 177.584 -0.068 0.000 1.052 504 A CA -0.565 51.441 52.037 -0.052 0.000 0.714 504 A CB 0.581 19.596 19.000 0.025 0.000 1.279 504 A HN 0.319 nan 8.150 nan 0.000 0.397 505 F N 1.487 121.548 119.950 0.186 0.000 2.378 505 F HA 0.473 5.370 4.527 0.616 0.000 0.325 505 F C 0.747 176.661 175.800 0.190 0.000 1.097 505 F CA -0.081 58.041 58.000 0.203 0.000 1.079 505 F CB 1.327 40.436 39.000 0.180 0.000 1.240 505 F HN 0.703 nan 8.300 nan 0.000 0.519 506 D N 0.824 121.490 120.400 0.443 0.000 2.294 506 D HA 0.372 5.277 4.640 0.441 0.000 0.250 506 D C 0.767 177.206 176.300 0.230 0.000 1.058 506 D CA -0.463 53.706 54.000 0.282 0.000 0.950 506 D CB 0.920 41.911 40.800 0.318 0.000 1.158 506 D HN 0.560 nan 8.370 nan 0.000 0.453 507 A N 1.228 124.140 122.820 0.154 0.000 1.881 507 A HA -0.300 4.285 4.320 0.441 0.000 0.219 507 A C 1.546 179.206 177.584 0.127 0.000 1.215 507 A CA 2.167 54.278 52.037 0.124 0.000 0.648 507 A CB -0.923 18.130 19.000 0.088 0.000 0.832 507 A HN 0.641 nan 8.150 nan 0.000 0.455 508 D N -0.487 119.990 120.400 0.128 0.000 2.350 508 D HA 0.076 4.981 4.640 0.441 0.000 0.216 508 D C 0.532 176.924 176.300 0.154 0.000 0.968 508 D CA 1.131 55.202 54.000 0.118 0.000 0.894 508 D CB -0.186 40.674 40.800 0.100 0.000 0.909 508 D HN 0.325 nan 8.370 nan 0.000 0.520 509 S N -1.102 114.714 115.700 0.193 0.000 3.749 509 S HA -0.212 4.523 4.470 0.441 0.000 0.348 509 S C 1.074 175.845 174.600 0.285 0.000 1.045 509 S CA 0.555 58.885 58.200 0.218 0.000 1.051 509 S CB -1.201 62.103 63.200 0.173 0.000 0.898 509 S HN 0.453 nan 8.310 nan 0.000 0.472 510 K N -0.382 120.167 120.400 0.248 0.000 2.391 510 K HA 0.192 4.777 4.320 0.441 0.000 0.197 510 K C 0.101 176.803 176.600 0.171 0.000 1.087 510 K CA 0.250 56.663 56.287 0.210 0.000 1.012 510 K CB 0.311 32.884 32.500 0.121 0.000 0.925 510 K HN 0.464 nan 8.250 nan 0.000 0.547 511 N N 0.440 119.264 118.700 0.206 0.000 2.284 511 N HA 0.324 5.329 4.740 0.441 0.000 0.289 511 N C -2.039 173.574 175.510 0.171 0.000 1.179 511 N CA -0.743 52.360 53.050 0.089 0.000 0.774 511 N CB 2.173 40.616 38.487 -0.073 0.000 1.548 511 N HN -0.132 nan 8.380 nan 0.000 0.473 512 L N 2.038 123.257 121.223 -0.006 0.000 2.316 512 L HA 0.550 5.155 4.340 0.441 0.000 0.280 512 L C -1.720 175.108 176.870 -0.070 0.000 1.006 512 L CA -0.460 54.332 54.840 -0.079 0.000 0.836 512 L CB -0.048 41.903 42.059 -0.180 0.000 1.221 512 L HN 0.493 nan 8.230 nan 0.000 0.418 513 Y N 5.156 125.443 120.300 -0.023 0.000 2.403 513 Y HA 0.658 5.419 4.550 0.352 0.000 0.323 513 Y C -0.162 175.772 175.900 0.056 0.000 1.226 513 Y CA 0.058 58.152 58.100 -0.010 0.000 1.235 513 Y CB 1.306 39.730 38.460 -0.060 0.000 1.248 513 Y HN 0.658 nan 8.280 nan 0.000 0.489 514 Y N -1.724 118.603 120.300 0.044 0.000 2.818 514 Y HA 0.753 5.240 4.550 -0.104 0.000 0.341 514 Y C -2.319 173.515 175.900 -0.109 0.000 1.283 514 Y CA -1.880 56.171 58.100 -0.081 0.000 1.075 514 Y CB 0.812 39.197 38.460 -0.124 0.000 1.370 514 Y HN 0.394 nan 8.280 nan 0.000 0.448 515 L N 1.917 123.007 121.223 -0.222 0.000 2.301 515 L HA 0.922 5.527 4.340 0.441 0.000 0.264 515 L C -0.790 175.916 176.870 -0.274 0.000 1.016 515 L CA -0.957 53.634 54.840 -0.416 0.000 0.821 515 L CB 2.393 43.967 42.059 -0.808 0.000 1.346 515 L HN 0.946 nan 8.230 nan 0.000 0.429 516 S N -1.179 114.510 115.700 -0.018 0.000 2.558 516 S HA 0.394 5.129 4.470 0.441 0.000 0.277 516 S C -1.326 173.404 174.600 0.217 0.000 1.143 516 S CA -0.776 57.573 58.200 0.248 0.000 0.865 516 S CB 0.789 64.112 63.200 0.205 0.000 1.102 516 S HN 0.389 nan 8.310 nan 0.000 0.454 517 Y N 1.381 121.915 120.300 0.391 0.000 2.903 517 Y HA 0.389 5.214 4.550 0.458 0.000 0.387 517 Y C 1.633 177.598 175.900 0.109 0.000 1.189 517 Y CA -0.534 57.699 58.100 0.222 0.000 1.856 517 Y CB -0.176 38.369 38.460 0.141 0.000 1.917 517 Y HN 0.619 nan 8.280 nan 0.000 0.448 518 R N -1.362 119.277 120.500 0.231 0.000 2.279 518 R HA 0.140 4.745 4.340 0.441 0.000 0.195 518 R C 0.689 177.058 176.300 0.114 0.000 0.905 518 R CA 0.083 56.262 56.100 0.133 0.000 1.044 518 R CB 0.394 30.759 30.300 0.108 0.000 1.056 518 R HN 0.033 nan 8.270 nan 0.000 0.535 519 S N 2.481 118.280 115.700 0.165 0.000 4.051 519 S HA 0.162 4.897 4.470 0.441 0.000 0.215 519 S C 0.172 174.831 174.600 0.098 0.000 1.289 519 S CA -0.020 58.260 58.200 0.133 0.000 0.907 519 S CB -0.406 62.876 63.200 0.136 0.000 1.603 519 S HN 0.177 nan 8.310 nan 0.000 0.453 520 L N 2.892 124.132 121.223 0.029 0.000 2.513 520 L HA 0.221 4.826 4.340 0.441 0.000 0.272 520 L C 0.309 177.302 176.870 0.205 0.000 1.187 520 L CA 0.161 55.006 54.840 0.009 0.000 0.895 520 L CB 0.126 42.087 42.059 -0.163 0.000 1.147 520 L HN 0.344 nan 8.230 nan 0.000 0.483 521 D N 4.697 125.331 120.400 0.390 0.000 2.804 521 D HA 0.282 5.187 4.640 0.441 0.000 0.209 521 D C -2.735 173.733 176.300 0.279 0.000 1.314 521 D CA -1.043 53.123 54.000 0.276 0.000 0.894 521 D CB 2.442 43.347 40.800 0.175 0.000 1.615 521 D HN 0.082 nan 8.370 nan 0.000 0.571 522 P HA 0.321 nan 4.420 nan 0.000 0.278 522 P C -0.697 176.644 177.300 0.069 0.000 1.238 522 P CA -0.458 62.605 63.100 -0.062 0.000 0.794 522 P CB 1.091 32.685 31.700 -0.178 0.000 0.955 523 S N 3.137 118.881 115.700 0.074 0.000 2.473 523 S HA 0.489 5.224 4.470 0.441 0.000 0.307 523 S C -2.382 172.293 174.600 0.124 0.000 1.094 523 S CA -1.327 56.933 58.200 0.101 0.000 1.070 523 S CB 1.271 64.496 63.200 0.041 0.000 1.019 523 S HN 0.438 nan 8.310 nan 0.000 0.480 524 P HA 0.107 nan 4.420 nan 0.000 0.275 524 P C -0.970 176.169 177.300 -0.267 0.000 1.227 524 P CA -0.269 62.733 63.100 -0.162 0.000 0.781 524 P CB 0.568 32.265 31.700 -0.005 0.000 0.906 525 D N 3.136 123.265 120.400 -0.453 0.000 2.308 525 D HA 0.049 4.954 4.640 0.441 0.000 0.251 525 D C 0.978 177.137 176.300 -0.235 0.000 1.127 525 D CA -0.316 53.501 54.000 -0.304 0.000 0.876 525 D CB 0.821 41.412 40.800 -0.349 0.000 1.176 525 D HN 0.113 nan 8.370 nan 0.000 0.446 526 R N 2.823 123.235 120.500 -0.148 0.000 2.299 526 R HA 0.050 4.655 4.340 0.441 0.000 0.197 526 R C 1.012 177.260 176.300 -0.086 0.000 0.971 526 R CA 0.221 56.261 56.100 -0.101 0.000 1.030 526 R CB -0.027 30.237 30.300 -0.061 0.000 0.932 526 R HN 0.340 nan 8.270 nan 0.000 0.477 527 V N -0.662 119.188 119.914 -0.106 0.000 2.948 527 V HA 0.130 4.515 4.120 0.441 0.000 0.234 527 V C 0.711 176.757 176.094 -0.080 0.000 1.205 527 V CA 0.335 62.593 62.300 -0.071 0.000 1.234 527 V CB 0.567 32.362 31.823 -0.046 0.000 1.020 527 V HN -0.202 nan 8.190 nan 0.000 0.491 528 V N 1.858 121.679 119.914 -0.154 0.000 2.612 528 V HA 0.418 4.803 4.120 0.441 0.000 0.301 528 V C -0.169 175.814 176.094 -0.185 0.000 1.046 528 V CA -0.697 61.510 62.300 -0.154 0.000 0.946 528 V CB 1.849 33.462 31.823 -0.351 0.000 1.003 528 V HN 0.333 nan 8.190 nan 0.000 0.459 529 L N 4.885 126.048 121.223 -0.100 0.000 2.600 529 L HA 0.325 4.930 4.340 0.441 0.000 0.278 529 L C -0.051 176.712 176.870 -0.177 0.000 1.139 529 L CA 1.140 55.905 54.840 -0.124 0.000 0.933 529 L CB -1.305 40.754 42.059 0.000 0.000 1.266 529 L HN 0.914 nan 8.230 nan 0.000 0.471 530 N N 3.292 121.741 118.700 -0.418 0.000 3.127 530 N HA 0.486 5.491 4.740 0.441 0.000 0.239 530 N C -1.867 173.213 175.510 -0.717 0.000 1.407 530 N CA -0.634 52.212 53.050 -0.339 0.000 0.891 530 N CB 0.848 39.177 38.487 -0.264 0.000 1.447 530 N HN 0.275 nan 8.380 nan 0.000 0.507 531 F N 0.542 120.411 119.950 -0.135 0.000 2.631 531 F HA 0.575 5.366 4.527 0.440 0.000 0.308 531 F C 0.047 175.686 175.800 -0.269 0.000 1.097 531 F CA -0.408 57.482 58.000 -0.182 0.000 0.952 531 F CB 2.123 41.010 39.000 -0.187 0.000 1.307 531 F HN 0.491 nan 8.300 nan 0.000 0.450 532 S N 0.274 115.887 115.700 -0.145 0.000 2.607 532 S HA 0.720 5.455 4.470 0.441 0.000 0.273 532 S C -1.464 172.924 174.600 -0.354 0.000 1.148 532 S CA -0.877 57.148 58.200 -0.292 0.000 0.833 532 S CB 1.171 64.294 63.200 -0.128 0.000 1.130 532 S HN 0.345 nan 8.310 nan 0.000 0.470 533 F N 2.210 122.182 119.950 0.036 0.000 2.423 533 F HA 0.411 5.206 4.527 0.446 0.000 0.356 533 F C 1.544 177.359 175.800 0.024 0.000 1.170 533 F CA -0.477 57.545 58.000 0.037 0.000 1.163 533 F CB 0.688 39.706 39.000 0.029 0.000 1.318 533 F HN 0.615 nan 8.300 nan 0.000 0.569 534 E N 1.765 122.057 120.200 0.153 0.000 2.079 534 E HA 0.025 4.640 4.350 0.441 0.000 0.191 534 E C 0.865 177.540 176.600 0.124 0.000 0.961 534 E CA 0.823 57.283 56.400 0.099 0.000 0.823 534 E CB 0.073 29.803 29.700 0.050 0.000 0.789 534 E HN 0.329 nan 8.360 nan 0.000 0.459 535 V N 0.857 120.850 119.914 0.131 0.000 2.233 535 V HA 0.302 4.687 4.120 0.441 0.000 0.261 535 V C 0.558 176.735 176.094 0.139 0.000 1.076 535 V CA -0.480 61.881 62.300 0.100 0.000 1.001 535 V CB 0.444 32.302 31.823 0.059 0.000 1.206 535 V HN 0.029 nan 8.190 nan 0.000 0.468 536 V N -0.591 119.445 119.914 0.203 0.000 3.070 536 V HA 0.487 4.872 4.120 0.441 0.000 0.345 536 V C 0.550 176.775 176.094 0.219 0.000 1.403 536 V CA 0.450 62.880 62.300 0.218 0.000 1.155 536 V CB 0.183 32.148 31.823 0.237 0.000 1.140 536 V HN 0.594 nan 8.190 nan 0.000 0.505 537 S N 1.556 117.330 115.700 0.123 0.000 2.480 537 S HA 0.679 5.414 4.470 0.441 0.000 0.286 537 S C -0.522 174.171 174.600 0.155 0.000 1.180 537 S CA -0.421 57.786 58.200 0.013 0.000 1.075 537 S CB 1.128 64.225 63.200 -0.171 0.000 0.996 537 S HN 0.701 nan 8.310 nan 0.000 0.487 538 K N 4.151 124.659 120.400 0.179 0.000 2.527 538 K HA 0.559 5.144 4.320 0.441 0.000 0.260 538 K C -2.975 173.608 176.600 -0.029 0.000 0.937 538 K CA -2.173 54.174 56.287 0.100 0.000 0.826 538 K CB 2.104 34.587 32.500 -0.028 0.000 1.359 538 K HN 0.377 nan 8.250 nan 0.000 0.434 539 P HA 0.341 nan 4.420 nan 0.000 0.281 539 P C -1.134 175.838 177.300 -0.546 0.000 1.249 539 P CA -0.257 62.659 63.100 -0.307 0.000 0.810 539 P CB 0.646 32.152 31.700 -0.323 0.000 1.008 540 F N 0.058 119.667 119.950 -0.568 0.000 2.643 540 F HA 0.560 5.322 4.527 0.392 0.000 0.314 540 F C -0.139 175.303 175.800 -0.596 0.000 1.096 540 F CA -0.885 56.749 58.000 -0.611 0.000 0.953 540 F CB 2.062 40.544 39.000 -0.863 0.000 1.345 540 F HN 0.079 nan 8.300 nan 0.000 0.468 541 V N 2.683 122.490 119.914 -0.178 0.000 3.114 541 V HA 0.697 5.082 4.120 0.441 0.000 0.308 541 V C -1.586 174.445 176.094 -0.104 0.000 1.168 541 V CA -0.721 61.394 62.300 -0.309 0.000 1.015 541 V CB 2.511 33.942 31.823 -0.653 0.000 1.050 541 V HN 0.601 nan 8.190 nan 0.000 0.433 542 I N 6.293 126.794 120.570 -0.115 0.000 2.497 542 I HA 0.413 4.848 4.170 0.441 0.000 0.284 542 I C -2.642 173.426 176.117 -0.082 0.000 1.060 542 I CA -1.731 59.545 61.300 -0.039 0.000 1.071 542 I CB 2.734 40.750 38.000 0.026 0.000 1.216 542 I HN 0.470 nan 8.210 nan 0.000 0.442 543 P HA 0.176 nan 4.420 nan 0.000 0.276 543 P C 0.585 177.868 177.300 -0.030 0.000 1.235 543 P CA -0.203 62.870 63.100 -0.045 0.000 0.772 543 P CB 1.254 32.931 31.700 -0.038 0.000 0.871 544 L N 2.248 123.476 121.223 0.008 0.000 2.465 544 L HA 0.009 4.614 4.340 0.441 0.000 0.224 544 L C 0.720 177.641 176.870 0.085 0.000 1.145 544 L CA 0.886 55.730 54.840 0.007 0.000 0.834 544 L CB -0.366 41.714 42.059 0.036 0.000 0.944 544 L HN 0.321 nan 8.230 nan 0.000 0.451 545 I N 0.177 120.776 120.570 0.048 0.000 2.354 545 I HA 0.311 4.745 4.170 0.441 0.000 0.286 545 I C -2.248 173.859 176.117 -0.016 0.000 1.007 545 I CA -2.271 59.036 61.300 0.012 0.000 1.167 545 I CB 0.961 38.939 38.000 -0.036 0.000 1.320 545 I HN -0.298 nan 8.210 nan 0.000 0.458 546 P HA 0.137 nan 4.420 nan 0.000 0.263 546 P C 0.988 178.271 177.300 -0.029 0.000 1.175 546 P CA 0.788 63.868 63.100 -0.034 0.000 0.761 546 P CB 0.589 32.268 31.700 -0.036 0.000 0.794 547 G N 1.438 110.220 108.800 -0.029 0.000 2.241 547 G HA2 -0.243 3.982 3.960 0.441 0.000 0.244 547 G HA3 -0.243 3.982 3.960 0.441 0.000 0.244 547 G C 0.503 175.391 174.900 -0.021 0.000 0.998 547 G CA 0.154 45.239 45.100 -0.024 0.000 0.621 547 G HN 0.732 nan 8.290 nan 0.000 0.519 548 S N 2.919 118.606 115.700 -0.022 0.000 2.513 548 S HA 0.626 5.360 4.470 0.441 0.000 0.276 548 S C -1.430 173.160 174.600 -0.018 0.000 1.254 548 S CA -0.626 57.563 58.200 -0.018 0.000 1.053 548 S CB 1.444 64.634 63.200 -0.016 0.000 0.958 548 S HN 0.420 nan 8.310 nan 0.000 0.491 549 P HA 0.189 nan 4.420 nan 0.000 0.279 549 P C -0.900 176.390 177.300 -0.017 0.000 1.276 549 P CA -0.824 62.268 63.100 -0.013 0.000 0.801 549 P CB 0.427 32.123 31.700 -0.007 0.000 1.127 550 N N 1.865 120.552 118.700 -0.021 0.000 2.427 550 N HA 0.001 5.006 4.740 0.441 0.000 0.269 550 N C -1.237 174.274 175.510 0.001 0.000 1.235 550 N CA -1.639 51.392 53.050 -0.032 0.000 0.934 550 N CB -0.067 38.398 38.487 -0.037 0.000 1.121 550 N HN 0.187 nan 8.380 nan 0.000 0.480 551 P HA -0.202 nan 4.420 nan 0.000 0.215 551 P C 1.059 178.406 177.300 0.079 0.000 1.157 551 P CA 1.909 65.046 63.100 0.061 0.000 0.874 551 P CB -0.346 31.417 31.700 0.105 0.000 0.790 552 T N -2.488 112.130 114.554 0.106 0.000 2.946 552 T HA -0.127 4.488 4.350 0.441 0.000 0.271 552 T C 1.736 176.488 174.700 0.085 0.000 1.104 552 T CA 1.057 63.234 62.100 0.128 0.000 1.114 552 T CB -0.791 68.171 68.868 0.157 0.000 0.867 552 T HN 0.202 nan 8.240 nan 0.000 0.513 553 K N 0.678 121.106 120.400 0.046 0.000 2.362 553 K HA 0.206 4.790 4.320 0.441 0.000 0.200 553 K C 0.688 177.306 176.600 0.029 0.000 1.046 553 K CA 0.409 56.714 56.287 0.030 0.000 0.952 553 K CB -0.430 32.077 32.500 0.012 0.000 0.753 553 K HN 0.421 nan 8.250 nan 0.000 0.466 554 L N 0.596 121.839 121.223 0.033 0.000 3.608 554 L HA -0.185 4.420 4.340 0.441 0.000 0.422 554 L C -0.601 176.278 176.870 0.015 0.000 1.260 554 L CA -0.342 54.513 54.840 0.024 0.000 0.889 554 L CB -1.933 40.138 42.059 0.020 0.000 1.821 554 L HN -0.121 nan 8.230 nan 0.000 0.884 555 V N 0.442 120.364 119.914 0.014 0.000 2.415 555 V HA 0.170 4.554 4.120 0.441 0.000 0.267 555 V C -1.267 174.832 176.094 0.007 0.000 1.042 555 V CA -1.139 61.166 62.300 0.008 0.000 1.000 555 V CB 0.293 32.119 31.823 0.006 0.000 1.015 555 V HN 0.122 nan 8.190 nan 0.000 0.478 556 P HA -0.075 nan 4.420 nan 0.000 0.259 556 P C 0.820 178.122 177.300 0.003 0.000 1.155 556 P CA 0.142 63.244 63.100 0.004 0.000 0.759 556 P CB 0.418 32.120 31.700 0.002 0.000 0.753 557 R N 4.227 124.729 120.500 0.004 0.000 2.091 557 R HA -0.166 4.439 4.340 0.441 0.000 0.238 557 R C 1.863 178.163 176.300 -0.000 0.000 1.136 557 R CA 2.459 58.560 56.100 0.002 0.000 0.959 557 R CB -1.340 28.962 30.300 0.003 0.000 0.856 557 R HN 0.513 nan 8.270 nan 0.000 0.437 558 S N -0.704 114.995 115.700 -0.000 0.000 2.469 558 S HA -0.107 4.628 4.470 0.441 0.000 0.238 558 S C 1.693 176.292 174.600 -0.002 0.000 0.998 558 S CA 1.317 59.517 58.200 -0.001 0.000 0.957 558 S CB -0.228 62.972 63.200 -0.001 0.000 0.764 558 S HN 0.400 nan 8.310 nan 0.000 0.514 559 M N 2.104 121.703 119.600 -0.001 0.000 2.419 559 M HA 0.174 4.919 4.480 0.441 0.000 0.252 559 M C 0.198 176.496 176.300 -0.003 0.000 1.143 559 M CA 0.032 55.331 55.300 -0.002 0.000 0.985 559 M CB 0.431 33.031 32.600 -0.001 0.000 1.489 559 M HN 0.490 nan 8.290 nan 0.000 0.484 560 T N -2.297 112.255 114.554 -0.003 0.000 2.901 560 T HA 0.585 5.200 4.350 0.441 0.000 0.293 560 T C -0.072 174.623 174.700 -0.007 0.000 1.084 560 T CA -0.843 61.254 62.100 -0.005 0.000 1.008 560 T CB 1.956 70.822 68.868 -0.004 0.000 1.170 560 T HN 0.108 nan 8.240 nan 0.000 0.509 561 S N 0.335 116.030 115.700 -0.010 0.000 2.158 561 S HA 0.485 5.220 4.470 0.441 0.000 0.160 561 S C -0.216 174.374 174.600 -0.016 0.000 1.693 561 S CA -0.762 57.431 58.200 -0.012 0.000 1.251 561 S CB 0.653 63.846 63.200 -0.011 0.000 1.153 561 S HN 0.682 nan 8.310 nan 0.000 0.439 562 E N 2.681 122.871 120.200 -0.017 0.000 3.381 562 E HA 0.637 5.252 4.350 0.441 0.000 0.509 562 E C 1.654 178.237 176.600 -0.030 0.000 0.319 562 E CA 0.793 57.179 56.400 -0.023 0.000 3.013 562 E CB -0.673 29.014 29.700 -0.022 0.000 2.197 562 E HN 1.073 nan 8.360 nan 0.000 0.410 563 A N -0.733 122.064 122.820 -0.037 0.000 3.408 563 A HA -0.203 4.381 4.320 0.441 0.000 0.269 563 A C 1.257 178.808 177.584 -0.055 0.000 1.124 563 A CA 1.333 53.343 52.037 -0.045 0.000 0.999 563 A CB -2.496 16.484 19.000 -0.033 0.000 1.067 563 A HN 0.472 nan 8.150 nan 0.000 0.815 564 G N -1.119 107.649 108.800 -0.052 0.000 2.518 564 G HA2 0.356 4.581 3.960 0.441 0.000 0.284 564 G HA3 0.356 4.581 3.960 0.441 0.000 0.284 564 G C 0.024 174.876 174.900 -0.080 0.000 1.362 564 G CA 0.476 45.544 45.100 -0.052 0.000 1.065 564 G HN 0.871 nan 8.290 nan 0.000 0.561 565 E N -1.908 118.253 120.200 -0.066 0.000 2.320 565 E HA 0.320 4.935 4.350 0.441 0.000 0.264 565 E C -0.883 175.697 176.600 -0.032 0.000 0.923 565 E CA -0.826 55.523 56.400 -0.086 0.000 0.796 565 E CB 1.355 31.032 29.700 -0.038 0.000 1.262 565 E HN 0.442 nan 8.360 nan 0.000 0.428 566 Y N 1.214 121.508 120.300 -0.010 0.000 2.805 566 Y HA -0.028 4.786 4.550 0.440 0.000 0.337 566 Y C 0.417 176.278 175.900 -0.065 0.000 1.252 566 Y CA 0.587 58.672 58.100 -0.026 0.000 1.515 566 Y CB 0.531 39.022 38.460 0.050 0.000 1.305 566 Y HN 0.356 nan 8.280 nan 0.000 0.600 567 D N 3.913 124.356 120.400 0.071 0.000 2.419 567 D HA 0.121 5.026 4.640 0.441 0.000 0.219 567 D C -0.492 175.694 176.300 -0.191 0.000 1.349 567 D CA -0.301 53.663 54.000 -0.061 0.000 0.964 567 D CB 0.685 41.468 40.800 -0.027 0.000 1.463 567 D HN 0.511 nan 8.370 nan 0.000 0.573 568 L N 1.996 122.959 121.223 -0.433 0.000 2.592 568 L HA 0.217 4.821 4.340 0.441 0.000 0.227 568 L C 0.475 177.171 176.870 -0.291 0.000 1.127 568 L CA -0.070 54.426 54.840 -0.574 0.000 0.884 568 L CB -0.459 40.893 42.059 -1.178 0.000 1.065 568 L HN 0.107 nan 8.230 nan 0.000 0.457 569 N N 0.702 119.345 118.700 -0.095 0.000 2.518 569 N HA -0.004 5.001 4.740 0.441 0.000 0.266 569 N C -0.022 175.478 175.510 -0.017 0.000 1.196 569 N CA -0.031 53.077 53.050 0.097 0.000 0.947 569 N CB 0.244 38.796 38.487 0.108 0.000 1.098 569 N HN 0.030 nan 8.380 nan 0.000 0.450 570 D N 1.035 121.423 120.400 -0.020 0.000 2.692 570 D HA -0.221 4.684 4.640 0.441 0.000 0.233 570 D C 0.977 177.042 176.300 -0.392 0.000 1.172 570 D CA 0.613 54.418 54.000 -0.324 0.000 0.636 570 D CB -0.603 40.031 40.800 -0.277 0.000 1.028 570 D HN 0.680 nan 8.370 nan 0.000 0.419 571 M N -1.940 117.537 119.600 -0.206 0.000 2.447 571 M HA -0.106 4.639 4.480 0.441 0.000 0.264 571 M C 2.064 178.287 176.300 -0.129 0.000 1.095 571 M CA 0.659 55.869 55.300 -0.150 0.000 1.125 571 M CB -0.439 32.105 32.600 -0.093 0.000 1.389 571 M HN 0.137 nan 8.290 nan 0.000 0.459 572 Y N 0.647 120.923 120.300 -0.040 0.000 2.483 572 Y HA 0.139 4.947 4.550 0.429 0.000 0.291 572 Y C 1.604 177.493 175.900 -0.018 0.000 1.143 572 Y CA 0.705 58.780 58.100 -0.041 0.000 1.289 572 Y CB -1.023 37.404 38.460 -0.055 0.000 0.983 572 Y HN 0.220 nan 8.280 nan 0.000 0.556 573 K N 0.748 120.884 120.400 -0.439 0.000 2.243 573 K HA 0.079 4.664 4.320 0.441 0.000 0.201 573 K C 1.609 178.145 176.600 -0.107 0.000 1.051 573 K CA 0.709 56.847 56.287 -0.248 0.000 0.970 573 K CB -0.031 32.263 32.500 -0.344 0.000 0.755 573 K HN 0.399 nan 8.250 nan 0.000 0.465 574 R N 1.404 121.843 120.500 -0.103 0.000 2.310 574 R HA 0.053 4.658 4.340 0.441 0.000 0.202 574 R C 0.571 176.871 176.300 0.000 0.000 0.933 574 R CA 0.008 56.078 56.100 -0.050 0.000 1.054 574 R CB 0.079 30.342 30.300 -0.063 0.000 0.985 574 R HN 0.075 nan 8.270 nan 0.000 0.489 575 S N 0.752 116.474 115.700 0.037 0.000 2.558 575 S HA 0.074 4.808 4.470 0.441 0.000 0.287 575 S C 0.190 174.870 174.600 0.134 0.000 1.321 575 S CA -0.430 57.837 58.200 0.113 0.000 1.048 575 S CB 1.405 64.692 63.200 0.144 0.000 0.844 575 S HN 0.132 nan 8.310 nan 0.000 0.512 576 S N 2.360 118.164 115.700 0.173 0.000 2.543 576 S HA 0.640 5.375 4.470 0.441 0.000 0.271 576 S C -3.144 171.488 174.600 0.055 0.000 1.148 576 S CA -1.347 56.922 58.200 0.114 0.000 0.914 576 S CB 1.795 65.002 63.200 0.013 0.000 1.096 576 S HN 0.712 nan 8.310 nan 0.000 0.471 577 P HA 0.434 nan 4.420 nan 0.000 0.279 577 P C -0.862 176.204 177.300 -0.388 0.000 1.252 577 P CA -0.621 62.108 63.100 -0.619 0.000 0.811 577 P CB 0.619 31.925 31.700 -0.656 0.000 1.035 578 I N -0.421 119.874 120.570 -0.458 0.000 2.354 578 I HA 0.381 4.816 4.170 0.441 0.000 0.292 578 I C 0.181 176.079 176.117 -0.365 0.000 0.989 578 I CA -0.726 60.377 61.300 -0.328 0.000 1.188 578 I CB 0.458 38.275 38.000 -0.304 0.000 1.342 578 I HN 0.092 nan 8.210 nan 0.000 0.457 579 N N 5.934 124.483 118.700 -0.251 0.000 2.657 579 N HA 0.014 5.019 4.740 0.441 0.000 0.308 579 N C -1.247 174.119 175.510 -0.239 0.000 1.212 579 N CA 0.378 53.323 53.050 -0.176 0.000 1.157 579 N CB -0.422 38.043 38.487 -0.036 0.000 1.462 579 N HN 0.533 nan 8.380 nan 0.000 0.509 580 V N 1.976 121.710 119.914 -0.300 0.000 2.588 580 V HA 0.136 4.521 4.120 0.441 0.000 0.304 580 V C -0.437 175.597 176.094 -0.100 0.000 1.042 580 V CA -1.109 61.024 62.300 -0.277 0.000 0.877 580 V CB 2.003 33.522 31.823 -0.508 0.000 0.996 580 V HN 0.298 nan 8.190 nan 0.000 0.425 581 D N 6.215 126.616 120.400 0.003 0.000 2.506 581 D HA 0.144 5.049 4.640 0.441 0.000 0.234 581 D C -2.120 174.279 176.300 0.165 0.000 1.143 581 D CA -0.440 53.602 54.000 0.070 0.000 0.871 581 D CB 0.659 41.511 40.800 0.086 0.000 1.190 581 D HN 0.315 nan 8.370 nan 0.000 0.459 582 P HA 0.291 nan 4.420 nan 0.000 0.272 582 P C 0.299 177.643 177.300 0.074 0.000 1.248 582 P CA -0.059 63.129 63.100 0.147 0.000 0.799 582 P CB 0.611 32.369 31.700 0.096 0.000 0.997 583 G N -0.768 107.951 108.800 -0.135 0.000 2.566 583 G HA2 0.264 4.489 3.960 0.441 0.000 0.138 583 G HA3 0.264 4.489 3.960 0.441 0.000 0.138 583 G C -1.760 172.892 174.900 -0.414 0.000 1.133 583 G CA -0.208 44.694 45.100 -0.329 0.000 1.037 583 G HN 0.495 nan 8.290 nan 0.000 0.491 584 D N 0.163 120.220 120.400 -0.571 0.000 2.363 584 D HA 0.484 5.389 4.640 0.441 0.000 0.258 584 D C -1.374 174.792 176.300 -0.223 0.000 1.259 584 D CA -0.364 53.505 54.000 -0.218 0.000 0.921 584 D CB 0.097 40.920 40.800 0.039 0.000 1.201 584 D HN 0.318 nan 8.370 nan 0.000 0.524 585 Y N 1.673 122.079 120.300 0.177 0.000 2.320 585 Y HA 0.399 5.212 4.550 0.439 0.000 0.334 585 Y C 1.687 177.758 175.900 0.285 0.000 1.055 585 Y CA -0.929 57.284 58.100 0.188 0.000 1.143 585 Y CB 1.428 39.932 38.460 0.074 0.000 1.193 585 Y HN 0.039 nan 8.280 nan 0.000 0.477 586 R N 1.948 122.722 120.500 0.455 0.000 2.335 586 R HA 0.275 4.880 4.340 0.441 0.000 0.210 586 R C -0.449 176.009 176.300 0.263 0.000 0.892 586 R CA 0.150 56.471 56.100 0.369 0.000 1.048 586 R CB 0.675 31.074 30.300 0.165 0.000 1.067 586 R HN 0.790 nan 8.270 nan 0.000 0.524 587 M N 0.411 120.157 119.600 0.243 0.000 2.414 587 M HA 0.395 5.140 4.480 0.441 0.000 0.287 587 M C -1.994 174.362 176.300 0.094 0.000 1.181 587 M CA -0.602 54.782 55.300 0.139 0.000 0.933 587 M CB 2.356 35.031 32.600 0.125 0.000 1.732 587 M HN -0.156 nan 8.290 nan 0.000 0.486 588 I N 6.066 126.645 120.570 0.016 0.000 2.447 588 I HA 0.513 4.948 4.170 0.441 0.000 0.287 588 I C -1.826 174.255 176.117 -0.059 0.000 1.023 588 I CA -0.694 60.576 61.300 -0.050 0.000 1.083 588 I CB 1.544 39.488 38.000 -0.093 0.000 1.245 588 I HN 0.772 nan 8.210 nan 0.000 0.434 589 I N 9.993 130.517 120.570 -0.077 0.000 2.420 589 I HA 0.324 4.759 4.170 0.441 0.000 0.282 589 I C -2.346 173.673 176.117 -0.164 0.000 1.019 589 I CA -1.753 59.498 61.300 -0.080 0.000 1.130 589 I CB 2.019 40.011 38.000 -0.014 0.000 1.262 589 I HN 0.331 nan 8.210 nan 0.000 0.454 590 P HA 0.313 nan 4.420 nan 0.000 0.276 590 P C -0.870 176.330 177.300 -0.167 0.000 1.235 590 P CA 0.013 62.865 63.100 -0.414 0.000 0.772 590 P CB 1.552 32.774 31.700 -0.796 0.000 0.871 591 L N 1.579 122.734 121.223 -0.114 0.000 2.183 591 L HA 0.367 4.972 4.340 0.441 0.000 0.253 591 L C 2.217 179.080 176.870 -0.012 0.000 1.048 591 L CA -0.794 54.025 54.840 -0.036 0.000 0.890 591 L CB 0.687 42.735 42.059 -0.017 0.000 1.476 591 L HN 0.287 nan 8.230 nan 0.000 0.455 592 E N 0.327 120.533 120.200 0.009 0.000 2.033 592 E HA -0.206 4.409 4.350 0.441 0.000 0.199 592 E C 0.847 177.457 176.600 0.018 0.000 1.011 592 E CA 2.186 58.598 56.400 0.020 0.000 0.815 592 E CB 0.148 29.860 29.700 0.019 0.000 0.755 592 E HN 0.618 nan 8.360 nan 0.000 0.451 593 S N -0.918 114.786 115.700 0.006 0.000 2.855 593 S HA 0.265 5.000 4.470 0.441 0.000 0.249 593 S C -0.322 174.266 174.600 -0.019 0.000 1.033 593 S CA -0.199 57.999 58.200 -0.002 0.000 1.038 593 S CB 0.843 64.036 63.200 -0.011 0.000 0.960 593 S HN 0.245 nan 8.310 nan 0.000 0.548 594 S N 0.827 116.521 115.700 -0.009 0.000 2.625 594 S HA 0.817 5.552 4.470 0.441 0.000 0.271 594 S C -1.521 173.084 174.600 0.009 0.000 1.161 594 S CA -0.932 57.265 58.200 -0.005 0.000 0.820 594 S CB 1.107 64.295 63.200 -0.019 0.000 1.137 594 S HN 0.111 nan 8.310 nan 0.000 0.470 595 I N 1.365 121.968 120.570 0.056 0.000 2.498 595 I HA 0.455 4.890 4.170 0.441 0.000 0.290 595 I C -0.808 175.308 176.117 -0.002 0.000 1.032 595 I CA -0.857 60.434 61.300 -0.015 0.000 1.073 595 I CB 1.531 39.514 38.000 -0.027 0.000 1.251 595 I HN 0.705 nan 8.210 nan 0.000 0.426 596 L N 6.238 127.442 121.223 -0.031 0.000 2.307 596 L HA 0.599 5.204 4.340 0.441 0.000 0.282 596 L C -0.428 176.433 176.870 -0.016 0.000 1.051 596 L CA -0.498 54.344 54.840 0.003 0.000 0.804 596 L CB 1.672 43.752 42.059 0.034 0.000 1.197 596 L HN 0.401 nan 8.230 nan 0.000 0.431 597 I N 2.651 123.216 120.570 -0.008 0.000 2.533 597 I HA 0.219 4.654 4.170 0.441 0.000 0.290 597 I C -1.180 174.999 176.117 0.103 0.000 1.056 597 I CA -0.673 60.616 61.300 -0.018 0.000 1.057 597 I CB 2.383 40.244 38.000 -0.232 0.000 1.240 597 I HN 0.444 nan 8.210 nan 0.000 0.423 598 Y N 5.740 126.102 120.300 0.103 0.000 2.383 598 Y HA 0.390 5.203 4.550 0.437 0.000 0.344 598 Y C 0.335 176.387 175.900 0.255 0.000 0.986 598 Y CA 0.177 58.371 58.100 0.157 0.000 1.175 598 Y CB 1.147 39.694 38.460 0.144 0.000 1.152 598 Y HN 0.583 nan 8.280 nan 0.000 0.511 599 S N 4.881 120.669 115.700 0.148 0.000 2.537 599 S HA 0.756 5.491 4.470 0.441 0.000 0.301 599 S C -1.599 173.085 174.600 0.140 0.000 1.092 599 S CA -0.605 57.756 58.200 0.268 0.000 1.048 599 S CB 1.221 64.586 63.200 0.276 0.000 1.053 599 S HN 0.453 nan 8.310 nan 0.000 0.501 600 V N 5.562 125.583 119.914 0.177 0.000 2.376 600 V HA 0.438 4.823 4.120 0.441 0.000 0.287 600 V C -2.402 173.768 176.094 0.127 0.000 1.015 600 V CA -1.799 60.601 62.300 0.165 0.000 0.834 600 V CB 1.199 33.164 31.823 0.236 0.000 1.001 600 V HN 0.773 nan 8.190 nan 0.000 0.428 601 P HA 0.132 nan 4.420 nan 0.000 0.269 601 P C -0.198 177.224 177.300 0.202 0.000 1.209 601 P CA -0.073 63.092 63.100 0.108 0.000 0.776 601 P CB 0.538 32.283 31.700 0.075 0.000 0.876 602 V N 4.882 124.886 119.914 0.150 0.000 2.599 602 V HA 0.104 4.489 4.120 0.441 0.000 0.300 602 V C 0.762 176.959 176.094 0.171 0.000 1.034 602 V CA 0.745 63.124 62.300 0.131 0.000 1.115 602 V CB -0.808 31.044 31.823 0.047 0.000 0.934 602 V HN 0.766 nan 8.190 nan 0.000 0.485 603 H N 2.260 121.355 119.070 0.041 0.000 2.966 603 H HA 0.619 5.439 4.556 0.440 0.000 0.330 603 H C -0.057 175.300 175.328 0.049 0.000 1.292 603 H CA -0.540 55.534 56.048 0.044 0.000 1.127 603 H CB 1.598 31.392 29.762 0.054 0.000 1.863 603 H HN 0.684 nan 8.280 nan 0.000 0.543 604 G N -0.382 108.457 108.800 0.066 0.000 2.572 604 G HA2 0.208 4.433 3.960 0.441 0.000 0.261 604 G HA3 0.208 4.433 3.960 0.441 0.000 0.261 604 G C 0.258 175.215 174.900 0.095 0.000 1.197 604 G CA -0.371 44.751 45.100 0.036 0.000 0.870 604 G HN 0.642 nan 8.290 nan 0.000 0.548 605 E N 0.673 120.924 120.200 0.085 0.000 2.498 605 E HA 0.041 4.655 4.350 0.441 0.000 0.203 605 E C 1.480 178.201 176.600 0.200 0.000 1.013 605 E CA -0.413 56.062 56.400 0.125 0.000 0.927 605 E CB 0.217 29.933 29.700 0.027 0.000 1.012 605 E HN 0.522 nan 8.360 nan 0.000 0.482 606 F N 2.395 122.410 119.950 0.108 0.000 2.065 606 F HA -0.274 4.517 4.527 0.441 0.000 0.298 606 F C 2.243 178.194 175.800 0.252 0.000 1.112 606 F CA 2.059 60.178 58.000 0.198 0.000 1.212 606 F CB -0.201 38.896 39.000 0.162 0.000 0.975 606 F HN 0.030 nan 8.300 nan 0.000 0.476 607 A N -0.010 123.117 122.820 0.512 0.000 1.933 607 A HA -0.046 4.539 4.320 0.441 0.000 0.218 607 A C 2.330 180.023 177.584 0.181 0.000 1.175 607 A CA 1.733 53.981 52.037 0.352 0.000 0.628 607 A CB -1.509 17.649 19.000 0.263 0.000 0.814 607 A HN 0.522 nan 8.150 nan 0.000 0.444 608 A N -1.896 121.023 122.820 0.164 0.000 1.929 608 A HA -0.038 4.547 4.320 0.441 0.000 0.216 608 A C 2.109 179.708 177.584 0.025 0.000 1.176 608 A CA 1.482 53.580 52.037 0.103 0.000 0.628 608 A CB -0.668 18.421 19.000 0.147 0.000 0.816 608 A HN 0.660 nan 8.150 nan 0.000 0.444 609 Y N -1.298 118.886 120.300 -0.193 0.000 2.314 609 Y HA -0.107 4.707 4.550 0.440 0.000 0.293 609 Y C 1.771 177.323 175.900 -0.580 0.000 1.129 609 Y CA 1.595 59.439 58.100 -0.427 0.000 1.201 609 Y CB -0.106 37.962 38.460 -0.653 0.000 0.999 609 Y HN 0.413 nan 8.280 nan 0.000 0.541 610 Y N -1.184 119.012 120.300 -0.174 0.000 2.488 610 Y HA 0.004 4.820 4.550 0.443 0.000 0.262 610 Y C 2.335 178.150 175.900 -0.141 0.000 1.108 610 Y CA 0.424 58.378 58.100 -0.244 0.000 1.299 610 Y CB -0.623 37.628 38.460 -0.348 0.000 1.231 610 Y HN -0.209 nan 8.280 nan 0.000 0.507 611 Q N 0.424 120.294 119.800 0.116 0.000 2.439 611 Q HA 0.013 4.617 4.340 0.441 0.000 0.211 611 Q C 1.451 177.473 176.000 0.037 0.000 0.978 611 Q CA 1.031 56.882 55.803 0.080 0.000 0.897 611 Q CB -0.253 28.557 28.738 0.120 0.000 0.956 611 Q HN 0.750 nan 8.270 nan 0.000 0.483 612 G N 0.636 109.443 108.800 0.012 0.000 2.155 612 G HA2 -0.337 3.888 3.960 0.441 0.000 0.257 612 G HA3 -0.337 3.888 3.960 0.441 0.000 0.257 612 G C 0.266 175.184 174.900 0.029 0.000 0.983 612 G CA -0.014 45.086 45.100 0.000 0.000 0.676 612 G HN 0.642 nan 8.290 nan 0.000 0.528 613 A N 1.063 123.916 122.820 0.054 0.000 2.565 613 A HA 0.515 5.100 4.320 0.441 0.000 0.237 613 A C -0.428 177.186 177.584 0.049 0.000 1.053 613 A CA 0.275 52.346 52.037 0.056 0.000 0.755 613 A CB 0.169 19.215 19.000 0.077 0.000 0.980 613 A HN 0.468 nan 8.150 nan 0.000 0.506 614 P HA 0.158 nan 4.420 nan 0.000 0.274 614 P C -0.446 176.861 177.300 0.011 0.000 1.231 614 P CA -0.341 62.781 63.100 0.038 0.000 0.790 614 P CB 0.712 32.439 31.700 0.045 0.000 0.951 615 E N 1.401 121.605 120.200 0.007 0.000 2.290 615 E HA 0.084 4.699 4.350 0.441 0.000 0.277 615 E C -0.214 176.371 176.600 -0.026 0.000 1.035 615 E CA -0.310 56.048 56.400 -0.071 0.000 0.873 615 E CB 0.427 30.124 29.700 -0.006 0.000 1.029 615 E HN 0.229 nan 8.360 nan 0.000 0.419 616 K N 2.377 122.715 120.400 -0.104 0.000 2.276 616 K HA 0.315 4.899 4.320 0.441 0.000 0.285 616 K C -0.023 176.591 176.600 0.023 0.000 1.062 616 K CA -0.338 55.936 56.287 -0.022 0.000 0.918 616 K CB 1.505 33.975 32.500 -0.049 0.000 1.055 616 K HN 0.549 nan 8.250 nan 0.000 0.477 617 G N 0.889 109.736 108.800 0.078 0.000 3.108 617 G HA2 0.679 4.904 3.960 0.441 0.000 0.268 617 G HA3 0.679 4.904 3.960 0.441 0.000 0.268 617 G C -1.464 173.288 174.900 -0.247 0.000 1.361 617 G CA -0.509 44.572 45.100 -0.032 0.000 1.047 617 G HN 0.429 nan 8.290 nan 0.000 0.540 618 V N -0.829 118.795 119.914 -0.484 0.000 3.077 618 V HA 0.616 5.001 4.120 0.441 0.000 0.299 618 V C -1.782 174.067 176.094 -0.409 0.000 1.276 618 V CA -0.860 61.242 62.300 -0.331 0.000 0.993 618 V CB 2.029 33.763 31.823 -0.150 0.000 1.076 618 V HN 0.803 nan 8.190 nan 0.000 0.434 619 L N 6.466 127.549 121.223 -0.232 0.000 2.261 619 L HA 0.596 5.201 4.340 0.441 0.000 0.289 619 L C -0.608 176.237 176.870 -0.042 0.000 1.059 619 L CA 0.339 55.115 54.840 -0.106 0.000 0.816 619 L CB 0.486 42.564 42.059 0.031 0.000 1.191 619 L HN 0.659 nan 8.230 nan 0.000 0.431 620 L N 4.734 125.946 121.223 -0.019 0.000 2.360 620 L HA 0.539 5.144 4.340 0.441 0.000 0.271 620 L C -0.090 176.790 176.870 0.017 0.000 1.057 620 L CA -0.711 54.131 54.840 0.004 0.000 0.803 620 L CB 1.488 43.558 42.059 0.017 0.000 1.207 620 L HN 0.554 nan 8.230 nan 0.000 0.445 621 K N 1.908 122.323 120.400 0.025 0.000 2.345 621 K HA 0.326 4.911 4.320 0.441 0.000 0.255 621 K C -1.797 174.842 176.600 0.065 0.000 0.934 621 K CA -0.584 55.724 56.287 0.035 0.000 0.801 621 K CB 1.577 34.086 32.500 0.015 0.000 1.137 621 K HN 0.471 nan 8.250 nan 0.000 0.424 622 Y N 3.814 124.076 120.300 -0.063 0.000 2.328 622 Y HA 0.220 5.041 4.550 0.450 0.000 0.333 622 Y C -0.803 175.066 175.900 -0.051 0.000 0.958 622 Y CA -0.781 57.280 58.100 -0.065 0.000 1.167 622 Y CB 1.182 39.584 38.460 -0.095 0.000 1.151 622 Y HN 0.626 nan 8.280 nan 0.000 0.470 623 D N 5.918 126.009 120.400 -0.516 0.000 2.325 623 D HA 0.037 4.942 4.640 0.441 0.000 0.251 623 D C 1.343 177.258 176.300 -0.641 0.000 1.196 623 D CA 0.175 53.931 54.000 -0.407 0.000 0.866 623 D CB 1.675 42.313 40.800 -0.270 0.000 1.101 623 D HN 0.677 nan 8.370 nan 0.000 0.476 624 V N 3.355 123.075 119.914 -0.324 0.000 2.392 624 V HA -0.181 4.204 4.120 0.441 0.000 0.249 624 V C 2.083 178.084 176.094 -0.155 0.000 1.059 624 V CA 0.982 63.182 62.300 -0.168 0.000 1.051 624 V CB -0.422 31.414 31.823 0.023 0.000 0.658 624 V HN 0.344 nan 8.190 nan 0.000 0.455 625 K N 1.316 121.634 120.400 -0.138 0.000 1.973 625 K HA -0.094 4.490 4.320 0.441 0.000 0.210 625 K C 2.561 179.091 176.600 -0.117 0.000 1.045 625 K CA 2.390 58.620 56.287 -0.095 0.000 0.937 625 K CB -1.088 31.370 32.500 -0.070 0.000 0.721 625 K HN 0.765 nan 8.250 nan 0.000 0.438 626 T N -1.126 113.337 114.554 -0.152 0.000 3.035 626 T HA -0.025 4.590 4.350 0.441 0.000 0.268 626 T C 0.742 175.340 174.700 -0.171 0.000 1.109 626 T CA 0.374 62.393 62.100 -0.135 0.000 1.119 626 T CB -0.039 68.756 68.868 -0.121 0.000 0.900 626 T HN 0.278 nan 8.240 nan 0.000 0.503 627 R N 0.144 120.448 120.500 -0.325 0.000 4.000 627 R HA -0.141 4.464 4.340 0.441 0.000 0.362 627 R C 0.153 176.310 176.300 -0.238 0.000 1.183 627 R CA 1.109 56.980 56.100 -0.381 0.000 1.011 627 R CB -2.012 28.262 30.300 -0.044 0.000 1.501 627 R HN 0.613 nan 8.270 nan 0.000 0.553 628 K N 1.479 121.736 120.400 -0.239 0.000 2.144 628 K HA 0.409 4.994 4.320 0.441 0.000 0.270 628 K C -0.243 176.304 176.600 -0.087 0.000 1.005 628 K CA -0.344 55.879 56.287 -0.107 0.000 0.932 628 K CB 1.257 33.705 32.500 -0.086 0.000 1.021 628 K HN -0.075 nan 8.250 nan 0.000 0.462 629 V N 2.877 122.796 119.914 0.008 0.000 2.513 629 V HA 0.413 4.798 4.120 0.441 0.000 0.299 629 V C -0.224 175.880 176.094 0.017 0.000 1.035 629 V CA -0.561 61.766 62.300 0.046 0.000 0.889 629 V CB 1.705 33.588 31.823 0.100 0.000 0.988 629 V HN 1.099 nan 8.190 nan 0.000 0.440 630 T N 0.461 115.022 114.554 0.011 0.000 2.841 630 T HA 0.606 5.221 4.350 0.441 0.000 0.296 630 T C -0.906 173.792 174.700 -0.004 0.000 1.166 630 T CA -0.815 61.284 62.100 -0.002 0.000 1.007 630 T CB 2.199 71.057 68.868 -0.016 0.000 1.253 630 T HN 0.603 nan 8.240 nan 0.000 0.511 631 E N 0.319 120.509 120.200 -0.016 0.000 2.109 631 E HA 0.486 5.101 4.350 0.441 0.000 0.278 631 E C 0.186 176.759 176.600 -0.044 0.000 0.954 631 E CA -0.679 55.703 56.400 -0.029 0.000 0.779 631 E CB 1.234 30.913 29.700 -0.035 0.000 1.093 631 E HN 0.478 nan 8.360 nan 0.000 0.401 632 V N 3.980 123.869 119.914 -0.042 0.000 2.725 632 V HA 0.078 4.463 4.120 0.441 0.000 0.247 632 V C 0.370 176.388 176.094 -0.125 0.000 1.058 632 V CA 0.844 63.110 62.300 -0.056 0.000 1.080 632 V CB -0.017 31.808 31.823 0.003 0.000 0.713 632 V HN 0.525 nan 8.190 nan 0.000 0.465 633 K N 0.632 120.963 120.400 -0.115 0.000 2.589 633 K HA 0.385 4.970 4.320 0.441 0.000 0.265 633 K C -1.273 175.252 176.600 -0.125 0.000 0.935 633 K CA -0.403 55.784 56.287 -0.166 0.000 0.850 633 K CB 1.491 33.871 32.500 -0.200 0.000 1.372 633 K HN 0.283 nan 8.250 nan 0.000 0.420 634 N N 0.866 119.488 118.700 -0.130 0.000 3.091 634 N HA 0.476 5.481 4.740 0.441 0.000 0.329 634 N C -1.042 174.412 175.510 -0.095 0.000 1.430 634 N CA -0.630 52.357 53.050 -0.106 0.000 0.755 634 N CB 0.305 38.741 38.487 -0.086 0.000 1.626 634 N HN 0.661 nan 8.380 nan 0.000 0.614 635 N N -1.911 116.748 118.700 -0.068 0.000 2.735 635 N HA -0.155 4.850 4.740 0.441 0.000 0.248 635 N C -1.323 174.178 175.510 -0.015 0.000 1.083 635 N CA 0.296 53.319 53.050 -0.045 0.000 0.703 635 N CB -1.300 37.148 38.487 -0.064 0.000 1.005 635 N HN 0.397 nan 8.380 nan 0.000 0.550 636 L N -0.121 121.109 121.223 0.011 0.000 2.343 636 L HA 0.449 5.054 4.340 0.441 0.000 0.275 636 L C 1.625 178.608 176.870 0.189 0.000 1.056 636 L CA -0.116 54.790 54.840 0.109 0.000 0.804 636 L CB 1.424 43.568 42.059 0.142 0.000 1.203 636 L HN 0.281 nan 8.230 nan 0.000 0.440 637 T N -3.793 110.887 114.554 0.210 0.000 3.058 637 T HA 0.245 4.860 4.350 0.441 0.000 0.278 637 T C -0.206 174.618 174.700 0.206 0.000 0.974 637 T CA -0.257 61.957 62.100 0.191 0.000 0.893 637 T CB 0.310 69.245 68.868 0.113 0.000 1.138 637 T HN 0.560 nan 8.240 nan 0.000 0.529 638 D N -0.308 120.251 120.400 0.264 0.000 2.766 638 D HA 0.476 5.381 4.640 0.441 0.000 0.244 638 D C -2.089 174.404 176.300 0.322 0.000 1.198 638 D CA -0.528 53.616 54.000 0.241 0.000 0.739 638 D CB 1.663 42.670 40.800 0.346 0.000 1.379 638 D HN 0.297 nan 8.370 nan 0.000 0.437 639 L N 1.603 122.967 121.223 0.236 0.000 2.466 639 L HA 0.770 5.375 4.340 0.441 0.000 0.258 639 L C -1.550 175.415 176.870 0.157 0.000 0.973 639 L CA -0.538 54.460 54.840 0.264 0.000 0.826 639 L CB 1.653 43.911 42.059 0.331 0.000 1.372 639 L HN 0.354 nan 8.230 nan 0.000 0.409 640 R N 3.495 124.088 120.500 0.155 0.000 2.651 640 R HA 0.612 5.217 4.340 0.441 0.000 0.278 640 R C -1.822 174.504 176.300 0.043 0.000 1.010 640 R CA -0.796 55.339 56.100 0.058 0.000 0.896 640 R CB 2.236 32.543 30.300 0.012 0.000 1.211 640 R HN 0.530 nan 8.270 nan 0.000 0.456 641 L N 1.164 122.400 121.223 0.022 0.000 2.346 641 L HA 0.444 5.048 4.340 0.441 0.000 0.274 641 L C 0.469 177.349 176.870 0.017 0.000 1.007 641 L CA -0.115 54.732 54.840 0.011 0.000 0.818 641 L CB 1.886 43.956 42.059 0.019 0.000 1.284 641 L HN 0.858 nan 8.230 nan 0.000 0.424 642 S N 3.017 118.725 115.700 0.014 0.000 2.634 642 S HA 0.372 5.107 4.470 0.441 0.000 0.254 642 S C 1.213 175.834 174.600 0.035 0.000 1.299 642 S CA 0.105 58.322 58.200 0.028 0.000 0.974 642 S CB 0.496 63.712 63.200 0.027 0.000 1.001 642 S HN 0.883 nan 8.310 nan 0.000 0.584 643 A N 1.034 123.879 122.820 0.041 0.000 1.872 643 A HA -0.016 4.569 4.320 0.441 0.000 0.214 643 A C 1.597 179.208 177.584 0.045 0.000 1.187 643 A CA 1.459 53.523 52.037 0.044 0.000 0.614 643 A CB -1.491 17.534 19.000 0.042 0.000 0.826 643 A HN 0.976 nan 8.150 nan 0.000 0.442 644 D N -1.505 118.919 120.400 0.040 0.000 2.358 644 D HA -0.022 4.883 4.640 0.441 0.000 0.241 644 D C 0.776 177.098 176.300 0.036 0.000 1.094 644 D CA 0.213 54.236 54.000 0.038 0.000 0.907 644 D CB -0.556 40.265 40.800 0.035 0.000 0.893 644 D HN 0.442 nan 8.370 nan 0.000 0.528 645 R N -1.127 119.393 120.500 0.034 0.000 3.989 645 R HA -0.269 4.336 4.340 0.441 0.000 0.335 645 R C 0.698 177.010 176.300 0.021 0.000 1.223 645 R CA 1.397 57.514 56.100 0.028 0.000 0.962 645 R CB -1.361 28.960 30.300 0.035 0.000 1.393 645 R HN 0.387 nan 8.270 nan 0.000 0.554 646 K N -0.472 119.940 120.400 0.019 0.000 2.276 646 K HA 0.070 4.655 4.320 0.441 0.000 0.198 646 K C 0.429 177.028 176.600 -0.001 0.000 1.052 646 K CA 0.861 57.158 56.287 0.018 0.000 0.984 646 K CB 0.618 33.134 32.500 0.026 0.000 0.836 646 K HN 0.058 nan 8.250 nan 0.000 0.490 647 T N 1.724 116.269 114.554 -0.014 0.000 2.829 647 T HA 0.378 4.992 4.350 0.441 0.000 0.282 647 T C -0.375 174.254 174.700 -0.118 0.000 0.990 647 T CA -0.616 61.454 62.100 -0.050 0.000 1.028 647 T CB 2.213 71.075 68.868 -0.011 0.000 0.951 647 T HN -0.258 nan 8.240 nan 0.000 0.460 648 V N 3.943 123.687 119.914 -0.283 0.000 2.495 648 V HA 0.565 4.950 4.120 0.441 0.000 0.298 648 V C -0.301 175.565 176.094 -0.380 0.000 1.031 648 V CA -0.886 61.156 62.300 -0.430 0.000 0.871 648 V CB 1.762 33.035 31.823 -0.917 0.000 0.988 648 V HN 0.921 nan 8.190 nan 0.000 0.432 649 M N 6.410 125.942 119.600 -0.113 0.000 2.190 649 M HA 0.769 5.514 4.480 0.441 0.000 0.312 649 M C -1.096 175.322 176.300 0.197 0.000 0.990 649 M CA -0.477 54.868 55.300 0.075 0.000 0.927 649 M CB 1.572 34.300 32.600 0.212 0.000 1.571 649 M HN 0.678 nan 8.290 nan 0.000 0.427 650 V N 1.942 121.985 119.914 0.216 0.000 3.158 650 V HA 0.828 5.212 4.120 0.441 0.000 0.311 650 V C -1.402 174.772 176.094 0.133 0.000 1.181 650 V CA -1.016 61.444 62.300 0.266 0.000 1.054 650 V CB 2.119 34.140 31.823 0.330 0.000 1.085 650 V HN 0.987 nan 8.190 nan 0.000 0.446 651 R N 1.029 121.600 120.500 0.118 0.000 2.561 651 R HA 0.646 5.251 4.340 0.441 0.000 0.297 651 R C -0.625 175.743 176.300 0.114 0.000 0.969 651 R CA -0.451 55.654 56.100 0.007 0.000 0.879 651 R CB 1.884 32.125 30.300 -0.099 0.000 1.178 651 R HN 0.919 nan 8.270 nan 0.000 0.445 652 K N 1.735 122.215 120.400 0.134 0.000 2.210 652 K HA 0.154 4.738 4.320 0.441 0.000 0.236 652 K C 0.174 176.813 176.600 0.065 0.000 1.016 652 K CA -0.604 55.730 56.287 0.077 0.000 0.913 652 K CB 0.945 33.444 32.500 -0.001 0.000 1.141 652 K HN 0.783 nan 8.250 nan 0.000 0.462 653 D N 0.544 120.967 120.400 0.037 0.000 2.263 653 D HA -0.199 4.705 4.640 0.441 0.000 0.208 653 D C 0.843 177.161 176.300 0.030 0.000 0.971 653 D CA 1.320 55.338 54.000 0.030 0.000 0.867 653 D CB -0.322 40.486 40.800 0.014 0.000 0.929 653 D HN 0.602 nan 8.370 nan 0.000 0.492 654 D N -0.777 119.649 120.400 0.044 0.000 2.378 654 D HA 0.085 4.990 4.640 0.441 0.000 0.227 654 D C 1.800 178.118 176.300 0.029 0.000 1.012 654 D CA 0.944 54.969 54.000 0.042 0.000 0.905 654 D CB -0.408 40.433 40.800 0.068 0.000 0.895 654 D HN 0.397 nan 8.370 nan 0.000 0.532 655 G N -0.324 108.494 108.800 0.029 0.000 2.199 655 G HA2 -0.311 3.914 3.960 0.441 0.000 0.254 655 G HA3 -0.311 3.914 3.960 0.441 0.000 0.254 655 G C 0.259 175.128 174.900 -0.051 0.000 0.982 655 G CA 0.222 45.315 45.100 -0.012 0.000 0.632 655 G HN 0.485 nan 8.290 nan 0.000 0.529 656 K N -0.091 120.306 120.400 -0.005 0.000 2.154 656 K HA 0.614 5.199 4.320 0.441 0.000 0.264 656 K C 0.026 176.525 176.600 -0.168 0.000 1.008 656 K CA -0.581 55.622 56.287 -0.141 0.000 0.937 656 K CB 1.102 33.465 32.500 -0.229 0.000 1.002 656 K HN 0.171 nan 8.250 nan 0.000 0.469 657 I N 2.392 122.733 120.570 -0.381 0.000 2.385 657 I HA 0.219 4.654 4.170 0.441 0.000 0.294 657 I C -0.704 175.212 176.117 -0.335 0.000 0.988 657 I CA -0.304 60.796 61.300 -0.334 0.000 1.265 657 I CB 0.468 38.196 38.000 -0.453 0.000 1.388 657 I HN 0.378 nan 8.210 nan 0.000 0.480 658 Y N 2.421 122.690 120.300 -0.053 0.000 2.602 658 Y HA 0.699 5.514 4.550 0.441 0.000 0.342 658 Y C 0.199 176.157 175.900 0.097 0.000 1.029 658 Y CA -1.083 57.049 58.100 0.054 0.000 1.080 658 Y CB 2.222 40.756 38.460 0.123 0.000 1.284 658 Y HN 0.404 nan 8.280 nan 0.000 0.485 659 T N 2.929 117.668 114.554 0.309 0.000 2.991 659 T HA 0.695 5.310 4.350 0.441 0.000 0.303 659 T C -1.816 173.025 174.700 0.235 0.000 1.015 659 T CA -0.551 61.644 62.100 0.157 0.000 1.007 659 T CB -0.066 68.854 68.868 0.086 0.000 1.034 659 T HN 0.474 nan 8.240 nan 0.000 0.446 660 F N 2.709 122.719 119.950 0.100 0.000 2.601 660 F HA 0.838 5.630 4.527 0.441 0.000 0.309 660 F C -3.239 172.600 175.800 0.065 0.000 1.089 660 F CA -3.033 55.011 58.000 0.074 0.000 0.940 660 F CB 0.575 39.610 39.000 0.058 0.000 1.273 660 F HN 0.230 nan 8.300 nan 0.000 0.450 661 P HA 0.088 nan 4.420 nan 0.000 0.271 661 P C 0.701 178.100 177.300 0.165 0.000 1.216 661 P CA -0.279 62.882 63.100 0.102 0.000 0.771 661 P CB 1.022 32.784 31.700 0.104 0.000 0.864 662 L N 4.977 126.247 121.223 0.078 0.000 2.127 662 L HA -0.209 4.396 4.340 0.441 0.000 0.211 662 L C 1.911 178.857 176.870 0.126 0.000 1.089 662 L CA 1.923 56.832 54.840 0.115 0.000 0.757 662 L CB -1.198 40.892 42.059 0.052 0.000 0.899 662 L HN 0.472 nan 8.230 nan 0.000 0.434 663 E N -0.936 119.320 120.200 0.093 0.000 2.047 663 E HA -0.150 4.465 4.350 0.441 0.000 0.191 663 E C 0.211 176.858 176.600 0.078 0.000 0.987 663 E CA 0.935 57.378 56.400 0.072 0.000 0.799 663 E CB -0.238 29.494 29.700 0.054 0.000 0.752 663 E HN 0.208 nan 8.360 nan 0.000 0.449 664 K N 1.456 121.917 120.400 0.101 0.000 2.682 664 K HA 0.203 4.788 4.320 0.441 0.000 0.189 664 K C -2.137 174.538 176.600 0.124 0.000 1.062 664 K CA -2.088 54.250 56.287 0.086 0.000 0.997 664 K CB 1.543 34.082 32.500 0.065 0.000 1.405 664 K HN 0.097 nan 8.250 nan 0.000 0.588 665 P HA -0.170 nan 4.420 nan 0.000 0.236 665 P C 0.862 178.070 177.300 -0.154 0.000 1.172 665 P CA 0.882 64.006 63.100 0.039 0.000 0.759 665 P CB 0.444 32.098 31.700 -0.077 0.000 0.843 666 E N 0.630 120.799 120.200 -0.053 0.000 2.285 666 E HA -0.084 4.531 4.350 0.441 0.000 0.194 666 E C 0.046 176.631 176.600 -0.025 0.000 0.997 666 E CA 0.441 56.801 56.400 -0.065 0.000 0.845 666 E CB -0.093 29.587 29.700 -0.033 0.000 0.782 666 E HN 0.154 nan 8.360 nan 0.000 0.491 667 D N 2.646 123.068 120.400 0.036 0.000 2.781 667 D HA 0.040 4.944 4.640 0.441 0.000 0.254 667 D C -0.585 175.799 176.300 0.140 0.000 1.213 667 D CA 0.013 54.058 54.000 0.074 0.000 0.994 667 D CB 0.203 41.050 40.800 0.078 0.000 1.019 667 D HN 0.404 nan 8.370 nan 0.000 0.514 668 E N 0.098 120.375 120.200 0.129 0.000 2.277 668 E HA 0.629 5.244 4.350 0.441 0.000 0.274 668 E C -0.315 176.411 176.600 0.211 0.000 1.022 668 E CA -0.817 55.727 56.400 0.241 0.000 0.853 668 E CB 1.624 31.451 29.700 0.213 0.000 1.086 668 E HN -0.037 nan 8.360 nan 0.000 0.397 669 R N 0.660 121.299 120.500 0.232 0.000 2.854 669 R HA 0.413 5.018 4.340 0.441 0.000 0.271 669 R C -0.883 175.495 176.300 0.129 0.000 0.996 669 R CA -0.764 55.429 56.100 0.155 0.000 0.961 669 R CB 2.177 32.535 30.300 0.098 0.000 1.182 669 R HN 0.510 nan 8.270 nan 0.000 0.479 670 T N 1.157 115.709 114.554 -0.004 0.000 2.806 670 T HA 0.246 4.861 4.350 0.441 0.000 0.290 670 T C -0.124 174.454 174.700 -0.203 0.000 0.966 670 T CA -0.623 61.319 62.100 -0.263 0.000 1.060 670 T CB 1.042 69.735 68.868 -0.292 0.000 0.927 670 T HN 0.131 nan 8.240 nan 0.000 0.485 671 V N 4.643 124.398 119.914 -0.265 0.000 2.427 671 V HA 0.204 4.589 4.120 0.441 0.000 0.268 671 V C 0.390 176.361 176.094 -0.205 0.000 1.046 671 V CA -0.388 61.806 62.300 -0.177 0.000 0.970 671 V CB 0.519 32.243 31.823 -0.165 0.000 1.001 671 V HN 0.755 nan 8.190 nan 0.000 0.476 672 E N 3.229 123.344 120.200 -0.141 0.000 2.179 672 E HA 0.448 5.062 4.350 0.441 0.000 0.275 672 E C 0.636 177.159 176.600 -0.128 0.000 0.945 672 E CA -0.100 56.215 56.400 -0.141 0.000 0.792 672 E CB 2.053 31.691 29.700 -0.103 0.000 1.125 672 E HN 0.832 nan 8.360 nan 0.000 0.397 673 T N -2.280 112.174 114.554 -0.167 0.000 3.009 673 T HA 0.088 4.703 4.350 0.441 0.000 0.267 673 T C 0.287 174.919 174.700 -0.114 0.000 0.942 673 T CA -0.316 61.691 62.100 -0.155 0.000 0.883 673 T CB 0.143 68.782 68.868 -0.381 0.000 1.192 673 T HN 0.063 nan 8.240 nan 0.000 0.524 674 D N 1.602 121.934 120.400 -0.112 0.000 2.325 674 D HA 0.182 5.087 4.640 0.441 0.000 0.234 674 D C 1.635 177.895 176.300 -0.067 0.000 1.122 674 D CA 0.039 53.989 54.000 -0.083 0.000 0.850 674 D CB 0.284 41.036 40.800 -0.081 0.000 0.921 674 D HN 0.250 nan 8.370 nan 0.000 0.513 675 K N 0.306 120.665 120.400 -0.068 0.000 2.031 675 K HA 0.012 4.596 4.320 0.441 0.000 0.205 675 K C 1.130 177.697 176.600 -0.055 0.000 1.049 675 K CA 0.401 56.651 56.287 -0.061 0.000 0.939 675 K CB 0.331 32.791 32.500 -0.066 0.000 0.717 675 K HN 0.081 nan 8.250 nan 0.000 0.438 676 R N 1.913 122.377 120.500 -0.060 0.000 2.255 676 R HA 0.221 4.826 4.340 0.441 0.000 0.326 676 R C -2.461 173.801 176.300 -0.063 0.000 0.986 676 R CA -1.906 54.161 56.100 -0.055 0.000 0.847 676 R CB 1.052 31.321 30.300 -0.052 0.000 1.111 676 R HN -0.106 nan 8.270 nan 0.000 0.452 677 P HA -0.022 nan 4.420 nan 0.000 0.270 677 P C -0.926 176.357 177.300 -0.028 0.000 1.223 677 P CA -0.414 62.670 63.100 -0.026 0.000 0.785 677 P CB 0.499 32.192 31.700 -0.012 0.000 0.923 678 L N 2.947 124.164 121.223 -0.011 0.000 2.276 678 L HA 0.278 4.882 4.340 0.441 0.000 0.286 678 L C -0.737 176.139 176.870 0.011 0.000 1.061 678 L CA -0.126 54.719 54.840 0.008 0.000 0.807 678 L CB 0.962 43.037 42.059 0.027 0.000 1.177 678 L HN 0.057 nan 8.230 nan 0.000 0.429 679 V N 4.171 124.102 119.914 0.029 0.000 2.417 679 V HA 0.829 5.214 4.120 0.441 0.000 0.291 679 V C -0.075 176.006 176.094 -0.021 0.000 1.024 679 V CA -0.308 61.992 62.300 0.000 0.000 0.861 679 V CB 1.411 33.239 31.823 0.007 0.000 0.985 679 V HN 0.922 nan 8.190 nan 0.000 0.436 680 S N 2.517 118.183 115.700 -0.055 0.000 2.656 680 S HA 0.720 5.455 4.470 0.441 0.000 0.273 680 S C -0.677 173.859 174.600 -0.107 0.000 1.168 680 S CA -0.581 57.566 58.200 -0.087 0.000 0.817 680 S CB 1.986 65.117 63.200 -0.115 0.000 1.146 680 S HN 0.930 nan 8.310 nan 0.000 0.475 681 S N 0.284 115.897 115.700 -0.145 0.000 2.456 681 S HA 0.506 5.241 4.470 0.441 0.000 0.316 681 S C 1.020 175.462 174.600 -0.263 0.000 1.089 681 S CA -0.994 57.107 58.200 -0.166 0.000 1.101 681 S CB -0.115 62.970 63.200 -0.191 0.000 0.995 681 S HN 0.658 nan 8.310 nan 0.000 0.468 682 I N 4.087 124.494 120.570 -0.272 0.000 2.118 682 I HA -0.248 4.187 4.170 0.441 0.000 0.241 682 I C 2.704 178.469 176.117 -0.587 0.000 1.070 682 I CA 1.856 62.831 61.300 -0.542 0.000 1.327 682 I CB -0.641 37.018 38.000 -0.569 0.000 1.034 682 I HN 0.871 nan 8.210 nan 0.000 0.405 683 H N 1.847 120.718 119.070 -0.331 0.000 2.387 683 H HA -0.189 4.632 4.556 0.442 0.000 0.299 683 H C 1.836 177.140 175.328 -0.040 0.000 1.090 683 H CA 1.804 57.765 56.048 -0.146 0.000 1.332 683 H CB -0.723 28.998 29.762 -0.069 0.000 1.386 683 H HN 0.637 nan 8.280 nan 0.000 0.516 684 E N 1.168 120.887 120.200 -0.802 0.000 2.107 684 E HA -0.133 4.481 4.350 0.441 0.000 0.191 684 E C 1.934 178.438 176.600 -0.161 0.000 0.982 684 E CA 0.952 57.080 56.400 -0.454 0.000 0.809 684 E CB -0.153 29.277 29.700 -0.450 0.000 0.756 684 E HN 0.604 nan 8.360 nan 0.000 0.459 685 E N -0.074 120.036 120.200 -0.151 0.000 2.072 685 E HA -0.113 4.502 4.350 0.441 0.000 0.191 685 E C 1.766 178.479 176.600 0.188 0.000 0.985 685 E CA 0.831 57.221 56.400 -0.016 0.000 0.801 685 E CB -0.135 29.528 29.700 -0.062 0.000 0.750 685 E HN 0.243 nan 8.360 nan 0.000 0.452 686 F N 1.043 120.973 119.950 -0.033 0.000 2.095 686 F HA -0.181 4.610 4.527 0.441 0.000 0.298 686 F C 2.201 178.042 175.800 0.068 0.000 1.104 686 F CA 0.994 59.005 58.000 0.019 0.000 1.232 686 F CB -0.890 38.124 39.000 0.022 0.000 0.987 686 F HN 0.032 nan 8.300 nan 0.000 0.475 687 L N -0.638 120.733 121.223 0.246 0.000 2.046 687 L HA -0.214 4.391 4.340 0.441 0.000 0.208 687 L C 2.665 179.656 176.870 0.202 0.000 1.077 687 L CA 1.240 56.196 54.840 0.193 0.000 0.747 687 L CB -0.643 41.491 42.059 0.125 0.000 0.896 687 L HN 0.163 nan 8.230 nan 0.000 0.432 688 Q N 0.414 120.298 119.800 0.141 0.000 2.020 688 Q HA -0.227 4.378 4.340 0.441 0.000 0.202 688 Q C 2.222 178.298 176.000 0.127 0.000 0.982 688 Q CA 1.956 57.825 55.803 0.110 0.000 0.838 688 Q CB -0.183 28.585 28.738 0.050 0.000 0.899 688 Q HN 0.473 nan 8.270 nan 0.000 0.423 689 M N -0.677 119.006 119.600 0.138 0.000 2.117 689 M HA -0.204 4.540 4.480 0.441 0.000 0.262 689 M C 2.079 178.455 176.300 0.126 0.000 1.065 689 M CA 1.735 57.103 55.300 0.112 0.000 1.114 689 M CB -0.547 32.113 32.600 0.100 0.000 1.361 689 M HN 0.232 nan 8.290 nan 0.000 0.408 690 Y N 1.522 121.867 120.300 0.076 0.000 2.089 690 Y HA -0.296 4.519 4.550 0.442 0.000 0.282 690 Y C 1.915 177.933 175.900 0.196 0.000 1.139 690 Y CA 1.993 60.149 58.100 0.094 0.000 1.123 690 Y CB -0.493 37.995 38.460 0.046 0.000 0.980 690 Y HN 0.204 nan 8.280 nan 0.000 0.493 691 D N 0.235 120.717 120.400 0.136 0.000 2.158 691 D HA -0.222 4.683 4.640 0.441 0.000 0.197 691 D C 2.057 178.466 176.300 0.182 0.000 0.995 691 D CA 1.800 55.905 54.000 0.174 0.000 0.846 691 D CB -0.308 40.642 40.800 0.249 0.000 0.941 691 D HN 0.650 nan 8.370 nan 0.000 0.456 692 E N 0.062 120.329 120.200 0.112 0.000 2.046 692 E HA -0.082 4.533 4.350 0.441 0.000 0.190 692 E C 2.049 178.685 176.600 0.060 0.000 0.982 692 E CA 0.889 57.344 56.400 0.091 0.000 0.800 692 E CB -0.003 29.732 29.700 0.058 0.000 0.756 692 E HN 0.168 nan 8.360 nan 0.000 0.449 693 A N 0.640 123.472 122.820 0.021 0.000 1.908 693 A HA -0.222 4.363 4.320 0.441 0.000 0.218 693 A C 1.930 179.507 177.584 -0.011 0.000 1.181 693 A CA 1.624 53.659 52.037 -0.004 0.000 0.627 693 A CB -1.248 17.745 19.000 -0.012 0.000 0.818 693 A HN 0.699 nan 8.150 nan 0.000 0.445 694 W N 0.632 121.785 121.300 -0.245 0.000 2.381 694 W HA -0.140 4.785 4.660 0.442 0.000 0.301 694 W C 2.191 178.690 176.519 -0.033 0.000 1.205 694 W CA 1.997 59.246 57.345 -0.160 0.000 1.285 694 W CB -0.004 29.285 29.460 -0.284 0.000 1.133 694 W HN 0.267 nan 8.180 nan 0.000 0.521 695 K N 0.174 120.664 120.400 0.150 0.000 2.097 695 K HA -0.174 4.411 4.320 0.441 0.000 0.205 695 K C 2.023 178.523 176.600 -0.167 0.000 1.050 695 K CA 1.635 57.893 56.287 -0.049 0.000 0.938 695 K CB -0.483 32.120 32.500 0.172 0.000 0.718 695 K HN 0.281 nan 8.250 nan 0.000 0.442 696 L N 0.447 121.613 121.223 -0.094 0.000 2.056 696 L HA -0.138 4.467 4.340 0.441 0.000 0.207 696 L C 2.613 179.367 176.870 -0.194 0.000 1.078 696 L CA 1.166 55.948 54.840 -0.097 0.000 0.749 696 L CB -0.529 41.507 42.059 -0.039 0.000 0.901 696 L HN 0.251 nan 8.230 nan 0.000 0.433 697 A N -0.096 122.569 122.820 -0.259 0.000 1.940 697 A HA -0.255 4.330 4.320 0.441 0.000 0.219 697 A C 2.459 179.706 177.584 -0.562 0.000 1.176 697 A CA 1.894 53.670 52.037 -0.436 0.000 0.631 697 A CB -0.540 18.239 19.000 -0.369 0.000 0.814 697 A HN 0.362 nan 8.150 nan 0.000 0.446 698 R N -0.745 119.487 120.500 -0.446 0.000 2.066 698 R HA -0.088 4.517 4.340 0.441 0.000 0.224 698 R C 1.100 177.254 176.300 -0.243 0.000 1.122 698 R CA 1.355 57.247 56.100 -0.347 0.000 0.974 698 R CB -0.236 29.747 30.300 -0.529 0.000 0.871 698 R HN 0.369 nan 8.270 nan 0.000 0.435 699 D N 0.436 120.701 120.400 -0.226 0.000 2.264 699 D HA -0.087 4.818 4.640 0.441 0.000 0.208 699 D C 0.763 176.972 176.300 -0.152 0.000 0.966 699 D CA 0.891 54.797 54.000 -0.157 0.000 0.864 699 D CB -0.031 40.703 40.800 -0.109 0.000 0.933 699 D HN 0.250 nan 8.370 nan 0.000 0.499 700 N N -0.673 117.928 118.700 -0.167 0.000 2.220 700 N HA -0.060 4.945 4.740 0.441 0.000 0.195 700 N C 0.041 175.436 175.510 -0.191 0.000 1.123 700 N CA -0.262 52.685 53.050 -0.173 0.000 0.874 700 N CB 0.275 38.680 38.487 -0.137 0.000 0.995 700 N HN 0.184 nan 8.380 nan 0.000 0.498 701 Y N 2.951 123.058 120.300 -0.322 0.000 2.712 701 Y HA -0.150 4.665 4.550 0.442 0.000 0.333 701 Y C 1.808 177.556 175.900 -0.254 0.000 1.225 701 Y CA -0.483 57.431 58.100 -0.310 0.000 1.499 701 Y CB 0.441 38.672 38.460 -0.382 0.000 1.288 701 Y HN 0.181 nan 8.280 nan 0.000 0.575 702 W N 4.662 125.449 121.300 -0.855 0.000 2.321 702 W HA -0.261 4.663 4.660 0.440 0.000 0.306 702 W C -0.404 175.864 176.519 -0.418 0.000 1.217 702 W CA 1.304 58.276 57.345 -0.621 0.000 1.257 702 W CB -0.749 28.342 29.460 -0.616 0.000 1.145 702 W HN 0.611 nan 8.180 nan 0.000 0.509 703 N N 2.054 119.849 118.700 -1.509 0.000 2.500 703 N HA 0.014 5.018 4.740 0.441 0.000 0.236 703 N C 1.082 176.369 175.510 -0.373 0.000 1.022 703 N CA 0.012 52.418 53.050 -1.074 0.000 0.935 703 N CB 0.768 38.285 38.487 -1.617 0.000 1.147 703 N HN 0.135 nan 8.380 nan 0.000 0.512 704 E N 3.590 123.623 120.200 -0.278 0.000 2.097 704 E HA -0.273 4.342 4.350 0.441 0.000 0.196 704 E C 1.618 178.134 176.600 -0.140 0.000 1.000 704 E CA 1.553 57.852 56.400 -0.169 0.000 0.804 704 E CB 0.037 29.645 29.700 -0.155 0.000 0.740 704 E HN 0.767 nan 8.360 nan 0.000 0.454 705 A N 0.573 123.297 122.820 -0.160 0.000 1.841 705 A HA -0.201 4.384 4.320 0.441 0.000 0.216 705 A C 2.452 179.966 177.584 -0.117 0.000 1.199 705 A CA 1.977 53.939 52.037 -0.124 0.000 0.621 705 A CB -1.060 17.866 19.000 -0.123 0.000 0.835 705 A HN 0.232 nan 8.150 nan 0.000 0.445 706 V N 0.150 119.977 119.914 -0.145 0.000 2.453 706 V HA -0.299 4.086 4.120 0.441 0.000 0.252 706 V C 2.998 178.992 176.094 -0.167 0.000 1.068 706 V CA 2.016 64.227 62.300 -0.149 0.000 1.070 706 V CB -1.586 30.138 31.823 -0.166 0.000 0.664 706 V HN 0.666 nan 8.190 nan 0.000 0.461 707 A N 0.237 122.980 122.820 -0.128 0.000 1.873 707 A HA -0.339 4.245 4.320 0.441 0.000 0.218 707 A C 2.350 179.881 177.584 -0.087 0.000 1.193 707 A CA 2.509 54.498 52.037 -0.080 0.000 0.629 707 A CB -0.630 18.341 19.000 -0.048 0.000 0.826 707 A HN 0.554 nan 8.150 nan 0.000 0.447 708 K N -0.762 119.592 120.400 -0.077 0.000 2.089 708 K HA -0.253 4.332 4.320 0.441 0.000 0.210 708 K C 2.147 178.731 176.600 -0.026 0.000 1.048 708 K CA 1.911 58.170 56.287 -0.046 0.000 0.926 708 K CB -0.129 32.346 32.500 -0.041 0.000 0.714 708 K HN 0.550 nan 8.250 nan 0.000 0.448 709 E N 0.567 120.736 120.200 -0.051 0.000 2.033 709 E HA -0.131 4.483 4.350 0.441 0.000 0.189 709 E C 2.084 178.651 176.600 -0.055 0.000 0.979 709 E CA 0.800 57.177 56.400 -0.038 0.000 0.802 709 E CB 0.031 29.702 29.700 -0.048 0.000 0.763 709 E HN 0.266 nan 8.360 nan 0.000 0.449 710 I N 1.976 122.455 120.570 -0.152 0.000 2.163 710 I HA -0.277 4.158 4.170 0.441 0.000 0.243 710 I C 2.741 178.748 176.117 -0.184 0.000 1.085 710 I CA 1.598 62.731 61.300 -0.279 0.000 1.347 710 I CB -1.701 35.897 38.000 -0.671 0.000 1.044 710 I HN 0.134 nan 8.210 nan 0.000 0.408 711 S N 1.014 116.643 115.700 -0.119 0.000 2.351 711 S HA -0.230 4.505 4.470 0.441 0.000 0.220 711 S C 1.787 176.679 174.600 0.486 0.000 1.035 711 S CA 1.352 59.595 58.200 0.071 0.000 1.031 711 S CB -0.926 62.157 63.200 -0.196 0.000 0.928 711 S HN 0.506 nan 8.310 nan 0.000 0.433 712 E N 0.881 121.280 120.200 0.333 0.000 2.265 712 E HA -0.116 4.498 4.350 0.441 0.000 0.196 712 E C 2.294 179.044 176.600 0.250 0.000 0.996 712 E CA 0.763 57.352 56.400 0.314 0.000 0.832 712 E CB -0.159 29.645 29.700 0.173 0.000 0.756 712 E HN 0.573 nan 8.360 nan 0.000 0.491 713 R N 1.048 121.663 120.500 0.192 0.000 2.161 713 R HA -0.018 4.587 4.340 0.441 0.000 0.213 713 R C 2.188 178.609 176.300 0.202 0.000 1.055 713 R CA 0.668 56.857 56.100 0.148 0.000 0.996 713 R CB 0.110 30.458 30.300 0.079 0.000 0.901 713 R HN 0.261 nan 8.270 nan 0.000 0.456 714 I N -3.351 117.402 120.570 0.306 0.000 4.035 714 I HA 0.093 4.528 4.170 0.441 0.000 0.321 714 I C 1.755 178.180 176.117 0.514 0.000 1.289 714 I CA -0.217 61.325 61.300 0.402 0.000 1.236 714 I CB -0.372 37.882 38.000 0.422 0.000 1.076 714 I HN -0.048 nan 8.210 nan 0.000 0.418 715 Y N 2.715 123.260 120.300 0.409 0.000 1.993 715 Y HA -0.368 4.447 4.550 0.441 0.000 0.267 715 Y C 2.733 178.697 175.900 0.106 0.000 1.155 715 Y CA 2.686 60.870 58.100 0.140 0.000 1.105 715 Y CB -0.190 38.091 38.460 -0.298 0.000 0.960 715 Y HN 0.288 nan 8.280 nan 0.000 0.486 716 E N 0.429 120.670 120.200 0.069 0.000 2.038 716 E HA -0.342 4.273 4.350 0.441 0.000 0.195 716 E C 2.377 178.910 176.600 -0.110 0.000 1.000 716 E CA 1.793 58.149 56.400 -0.073 0.000 0.803 716 E CB -0.356 29.381 29.700 0.063 0.000 0.750 716 E HN 0.513 nan 8.360 nan 0.000 0.448 717 K N -0.439 119.934 120.400 -0.045 0.000 2.059 717 K HA -0.233 4.352 4.320 0.441 0.000 0.212 717 K C 1.922 178.431 176.600 -0.152 0.000 1.050 717 K CA 2.049 58.258 56.287 -0.130 0.000 0.927 717 K CB -0.310 32.047 32.500 -0.239 0.000 0.714 717 K HN 0.264 nan 8.250 nan 0.000 0.447 718 Y N -0.158 120.177 120.300 0.059 0.000 2.490 718 Y HA 0.065 4.880 4.550 0.442 0.000 0.285 718 Y C 2.472 178.108 175.900 -0.440 0.000 1.117 718 Y CA 0.585 58.676 58.100 -0.015 0.000 1.262 718 Y CB 0.121 38.683 38.460 0.171 0.000 1.043 718 Y HN 0.082 nan 8.280 nan 0.000 0.553 719 R N 0.748 120.921 120.500 -0.545 0.000 2.115 719 R HA -0.130 4.475 4.340 0.441 0.000 0.230 719 R C 1.200 177.238 176.300 -0.438 0.000 1.111 719 R CA 1.337 56.910 56.100 -0.879 0.000 0.976 719 R CB -0.072 29.704 30.300 -0.873 0.000 0.870 719 R HN 0.296 nan 8.270 nan 0.000 0.445 720 N N 0.607 119.154 118.700 -0.256 0.000 2.573 720 N HA -0.106 4.899 4.740 0.441 0.000 0.187 720 N C 1.249 176.686 175.510 -0.123 0.000 1.107 720 N CA 0.780 53.744 53.050 -0.143 0.000 0.918 720 N CB 0.119 38.562 38.487 -0.073 0.000 0.966 720 N HN 0.355 nan 8.380 nan 0.000 0.448 721 L N -0.451 120.679 121.223 -0.154 0.000 2.513 721 L HA 0.124 4.729 4.340 0.441 0.000 0.222 721 L C 1.862 178.665 176.870 -0.112 0.000 1.096 721 L CA 0.039 54.801 54.840 -0.129 0.000 0.857 721 L CB 0.083 42.059 42.059 -0.139 0.000 1.026 721 L HN -0.127 nan 8.230 nan 0.000 0.469 722 V N 1.391 121.208 119.914 -0.162 0.000 2.252 722 V HA -0.188 4.197 4.120 0.441 0.000 0.249 722 V C -0.157 175.954 176.094 0.029 0.000 1.056 722 V CA 2.164 64.408 62.300 -0.094 0.000 1.022 722 V CB -1.726 30.007 31.823 -0.150 0.000 0.641 722 V HN 0.382 nan 8.190 nan 0.000 0.445 723 P HA -0.115 nan 4.420 nan 0.000 0.228 723 P C 1.479 178.794 177.300 0.024 0.000 1.151 723 P CA 1.301 64.421 63.100 0.034 0.000 0.770 723 P CB -0.069 31.627 31.700 -0.006 0.000 0.786 724 L N -1.451 119.774 121.223 0.003 0.000 2.509 724 L HA 0.095 4.700 4.340 0.441 0.000 0.222 724 L C 1.041 177.933 176.870 0.037 0.000 1.123 724 L CA -0.004 54.832 54.840 -0.007 0.000 0.856 724 L CB -0.462 41.568 42.059 -0.048 0.000 0.985 724 L HN -0.098 nan 8.230 nan 0.000 0.456 725 C N 1.034 120.389 119.300 0.091 0.000 2.482 725 C HA 0.159 4.884 4.460 0.441 0.000 0.378 725 C C 1.514 176.698 174.990 0.324 0.000 1.284 725 C CA -0.443 58.677 59.018 0.170 0.000 1.826 725 C CB 0.496 28.299 27.740 0.105 0.000 2.473 725 C HN 0.295 nan 8.230 nan 0.000 0.562 726 K N 0.748 121.307 120.400 0.265 0.000 2.370 726 K HA 0.105 4.690 4.320 0.441 0.000 0.194 726 K C 1.145 177.913 176.600 0.279 0.000 1.070 726 K CA 0.457 56.873 56.287 0.214 0.000 0.998 726 K CB 0.247 32.821 32.500 0.124 0.000 0.911 726 K HN 0.859 nan 8.250 nan 0.000 0.533 727 T N -2.793 111.971 114.554 0.351 0.000 2.940 727 T HA 0.398 5.013 4.350 0.441 0.000 0.288 727 T C 0.907 175.835 174.700 0.379 0.000 1.045 727 T CA -0.825 61.481 62.100 0.343 0.000 1.018 727 T CB 2.039 71.070 68.868 0.272 0.000 1.151 727 T HN -0.171 nan 8.240 nan 0.000 0.529 728 R N -0.254 120.404 120.500 0.264 0.000 2.073 728 R HA -0.064 4.541 4.340 0.441 0.000 0.234 728 R C 2.005 178.301 176.300 -0.007 0.000 1.134 728 R CA 1.695 57.756 56.100 -0.064 0.000 0.952 728 R CB -1.686 28.343 30.300 -0.451 0.000 0.850 728 R HN 0.785 nan 8.270 nan 0.000 0.433 729 Y N 1.553 122.013 120.300 0.267 0.000 2.165 729 Y HA -0.219 4.595 4.550 0.441 0.000 0.286 729 Y C 1.580 177.604 175.900 0.207 0.000 1.155 729 Y CA 2.145 60.530 58.100 0.475 0.000 1.164 729 Y CB -0.439 38.245 38.460 0.374 0.000 0.978 729 Y HN 0.175 nan 8.280 nan 0.000 0.513 730 D N 0.277 120.714 120.400 0.063 0.000 2.103 730 D HA -0.258 4.647 4.640 0.441 0.000 0.190 730 D C 2.488 178.693 176.300 -0.157 0.000 0.997 730 D CA 1.571 55.529 54.000 -0.069 0.000 0.833 730 D CB -0.767 40.060 40.800 0.045 0.000 0.961 730 D HN 0.373 nan 8.370 nan 0.000 0.447 731 L N 0.851 121.915 121.223 -0.264 0.000 2.081 731 L HA -0.234 4.371 4.340 0.441 0.000 0.212 731 L C 2.407 179.167 176.870 -0.184 0.000 1.080 731 L CA 1.581 56.179 54.840 -0.403 0.000 0.754 731 L CB -0.489 40.977 42.059 -0.988 0.000 0.893 731 L HN 0.025 nan 8.230 nan 0.000 0.433 732 S N 0.165 115.816 115.700 -0.080 0.000 2.359 732 S HA -0.240 4.494 4.470 0.441 0.000 0.224 732 S C 1.591 176.164 174.600 -0.045 0.000 1.035 732 S CA 2.012 60.240 58.200 0.048 0.000 1.018 732 S CB -0.252 63.128 63.200 0.300 0.000 0.876 732 S HN 0.573 nan 8.310 nan 0.000 0.448 733 N N 0.431 119.029 118.700 -0.171 0.000 2.094 733 N HA -0.096 4.909 4.740 0.441 0.000 0.191 733 N C 1.630 177.113 175.510 -0.045 0.000 1.023 733 N CA 1.618 54.581 53.050 -0.146 0.000 0.857 733 N CB -0.411 37.946 38.487 -0.217 0.000 1.013 733 N HN 0.278 nan 8.380 nan 0.000 0.426 734 V N 0.701 120.593 119.914 -0.036 0.000 2.283 734 V HA -0.133 4.252 4.120 0.441 0.000 0.243 734 V C 2.065 178.180 176.094 0.035 0.000 1.039 734 V CA 1.257 63.580 62.300 0.039 0.000 1.016 734 V CB -0.449 31.388 31.823 0.024 0.000 0.650 734 V HN 0.286 nan 8.190 nan 0.000 0.449 735 I N -0.098 120.506 120.570 0.056 0.000 2.163 735 I HA -0.231 4.204 4.170 0.441 0.000 0.243 735 I C 2.382 178.509 176.117 0.016 0.000 1.085 735 I CA 1.365 62.714 61.300 0.081 0.000 1.347 735 I CB -0.375 37.675 38.000 0.083 0.000 1.044 735 I HN 0.151 nan 8.210 nan 0.000 0.408 736 V N 0.442 120.369 119.914 0.022 0.000 2.343 736 V HA -0.244 4.140 4.120 0.441 0.000 0.247 736 V C 2.454 178.544 176.094 -0.006 0.000 1.051 736 V CA 1.699 64.027 62.300 0.047 0.000 1.036 736 V CB -0.658 31.212 31.823 0.078 0.000 0.654 736 V HN 0.408 nan 8.190 nan 0.000 0.451 737 E N 0.242 120.394 120.200 -0.080 0.000 2.110 737 E HA -0.264 4.351 4.350 0.441 0.000 0.193 737 E C 2.164 178.472 176.600 -0.487 0.000 0.988 737 E CA 1.934 58.234 56.400 -0.168 0.000 0.804 737 E CB -0.313 29.384 29.700 -0.005 0.000 0.745 737 E HN 0.769 nan 8.360 nan 0.000 0.458 738 M N -0.106 119.075 119.600 -0.698 0.000 2.349 738 M HA -0.042 4.703 4.480 0.441 0.000 0.266 738 M C 1.721 177.960 176.300 -0.102 0.000 1.076 738 M CA 1.453 56.364 55.300 -0.648 0.000 1.126 738 M CB -0.083 32.294 32.600 -0.371 0.000 1.392 738 M HN -0.141 nan 8.290 nan 0.000 0.440 739 Q N 0.642 120.437 119.800 -0.009 0.000 2.119 739 Q HA 0.053 4.657 4.340 0.441 0.000 0.201 739 Q C 2.179 178.279 176.000 0.166 0.000 0.972 739 Q CA 1.286 57.170 55.803 0.136 0.000 0.847 739 Q CB -0.569 28.233 28.738 0.107 0.000 0.903 739 Q HN 0.791 nan 8.270 nan 0.000 0.433 740 G N 1.140 109.986 108.800 0.077 0.000 2.479 740 G HA2 -0.241 3.984 3.960 0.441 0.000 0.220 740 G HA3 -0.241 3.984 3.960 0.441 0.000 0.220 740 G C 1.154 176.092 174.900 0.063 0.000 1.115 740 G CA 0.434 45.578 45.100 0.074 0.000 0.757 740 G HN 0.198 nan 8.290 nan 0.000 0.560 741 E N 0.113 120.324 120.200 0.018 0.000 2.265 741 E HA -0.105 4.510 4.350 0.441 0.000 0.196 741 E C 1.464 177.982 176.600 -0.136 0.000 0.996 741 E CA 0.527 56.908 56.400 -0.031 0.000 0.832 741 E CB -0.255 29.418 29.700 -0.044 0.000 0.756 741 E HN 0.680 nan 8.360 nan 0.000 0.491 742 Y N 0.503 120.786 120.300 -0.029 0.000 2.578 742 Y HA 0.082 4.897 4.550 0.442 0.000 0.297 742 Y C 0.574 176.500 175.900 0.044 0.000 1.176 742 Y CA 0.117 58.150 58.100 -0.111 0.000 1.315 742 Y CB -0.073 38.283 38.460 -0.173 0.000 1.031 742 Y HN -0.111 nan 8.280 nan 0.000 0.524 743 R N 0.559 121.193 120.500 0.223 0.000 3.387 743 R HA -0.182 4.423 4.340 0.441 0.000 0.254 743 R C -0.648 175.897 176.300 0.409 0.000 1.006 743 R CA 0.994 57.315 56.100 0.367 0.000 0.677 743 R CB -2.405 28.077 30.300 0.303 0.000 1.063 743 R HN 0.136 nan 8.270 nan 0.000 0.453 744 T N -1.514 113.076 114.554 0.059 0.000 2.883 744 T HA 0.429 5.044 4.350 0.441 0.000 0.296 744 T C 0.279 174.273 174.700 -1.177 0.000 1.117 744 T CA -0.403 61.553 62.100 -0.240 0.000 1.006 744 T CB 1.918 70.908 68.868 0.203 0.000 1.191 744 T HN 0.224 nan 8.240 nan 0.000 0.508 745 S N -0.046 114.847 115.700 -1.344 0.000 2.640 745 S HA 0.287 5.022 4.470 0.441 0.000 0.262 745 S C 0.080 174.415 174.600 -0.442 0.000 1.232 745 S CA -0.122 57.232 58.200 -1.409 0.000 0.988 745 S CB -0.404 62.144 63.200 -1.088 0.000 1.034 745 S HN 0.922 nan 8.310 nan 0.000 0.569 746 H N -1.371 117.473 119.070 -0.377 0.000 2.776 746 H HA -0.118 4.703 4.556 0.442 0.000 0.300 746 H C -0.434 174.432 175.328 -0.769 0.000 1.161 746 H CA 0.870 56.463 56.048 -0.757 0.000 1.147 746 H CB -2.371 27.125 29.762 -0.442 0.000 1.366 746 H HN 0.451 nan 8.280 nan 0.000 0.397 747 S N 0.905 116.413 115.700 -0.321 0.000 2.921 747 S HA 0.331 5.066 4.470 0.441 0.000 0.244 747 S C -0.026 174.642 174.600 0.112 0.000 1.291 747 S CA -0.661 57.482 58.200 -0.095 0.000 1.010 747 S CB 0.080 63.296 63.200 0.027 0.000 1.255 747 S HN 0.332 nan 8.310 nan 0.000 0.492 748 Y N 1.128 121.436 120.300 0.013 0.000 2.545 748 Y HA 0.586 5.401 4.550 0.441 0.000 0.324 748 Y C 0.713 176.605 175.900 -0.013 0.000 1.220 748 Y CA -1.304 56.773 58.100 -0.037 0.000 1.290 748 Y CB 0.979 39.405 38.460 -0.056 0.000 1.355 748 Y HN 0.294 nan 8.280 nan 0.000 0.516 749 E N 2.166 122.460 120.200 0.157 0.000 2.281 749 E HA 0.379 4.994 4.350 0.441 0.000 0.266 749 E C -1.864 174.780 176.600 0.072 0.000 0.893 749 E CA -0.459 56.008 56.400 0.111 0.000 0.798 749 E CB 1.190 30.955 29.700 0.108 0.000 1.245 749 E HN 0.676 nan 8.360 nan 0.000 0.410 750 M N 2.319 121.971 119.600 0.087 0.000 2.619 750 M HA 0.676 5.421 4.480 0.441 0.000 0.297 750 M C 0.316 176.678 176.300 0.103 0.000 1.229 750 M CA -0.346 54.987 55.300 0.056 0.000 0.860 750 M CB 2.126 34.742 32.600 0.027 0.000 1.741 750 M HN 0.743 nan 8.290 nan 0.000 0.462 751 G N 0.584 109.446 108.800 0.103 0.000 2.741 751 G HA2 0.323 4.548 3.960 0.441 0.000 0.222 751 G HA3 0.323 4.548 3.960 0.441 0.000 0.222 751 G C -0.082 174.967 174.900 0.249 0.000 1.364 751 G CA -0.124 45.059 45.100 0.138 0.000 0.866 751 G HN 1.892 nan 8.290 nan 0.000 0.555 752 G N -3.191 105.737 108.800 0.214 0.000 2.707 752 G HA2 0.457 4.682 3.960 0.441 0.000 0.686 752 G HA3 0.457 4.682 3.960 0.441 0.000 0.686 752 G C -0.298 174.748 174.900 0.244 0.000 1.315 752 G CA 0.416 45.647 45.100 0.218 0.000 0.832 752 G HN 2.109 nan 8.290 nan 0.000 0.573 753 T N 1.413 116.051 114.554 0.140 0.000 2.788 753 T HA 0.573 5.188 4.350 0.441 0.000 0.296 753 T C 0.652 175.348 174.700 -0.005 0.000 1.009 753 T CA -0.083 62.112 62.100 0.159 0.000 0.949 753 T CB 0.883 69.896 68.868 0.241 0.000 0.946 753 T HN 0.435 nan 8.240 nan 0.000 0.453 754 F N 1.307 121.322 119.950 0.108 0.000 2.622 754 F HA 0.292 5.083 4.527 0.441 0.000 0.288 754 F C 1.611 177.456 175.800 0.076 0.000 1.120 754 F CA -0.097 57.967 58.000 0.108 0.000 1.423 754 F CB 0.841 39.896 39.000 0.092 0.000 1.127 754 F HN 0.442 nan 8.300 nan 0.000 0.588 755 T N -0.969 113.710 114.554 0.208 0.000 2.853 755 T HA 0.167 4.782 4.350 0.441 0.000 0.311 755 T C -0.733 174.005 174.700 0.063 0.000 1.307 755 T CA -0.637 61.528 62.100 0.108 0.000 1.019 755 T CB 1.366 70.274 68.868 0.066 0.000 1.264 755 T HN 0.166 nan 8.240 nan 0.000 0.497 756 D N 1.347 121.766 120.400 0.031 0.000 2.342 756 D HA 0.124 5.029 4.640 0.441 0.000 0.221 756 D C 0.062 176.349 176.300 -0.022 0.000 1.101 756 D CA -0.265 53.742 54.000 0.013 0.000 0.837 756 D CB 0.284 41.092 40.800 0.014 0.000 0.938 756 D HN 0.184 nan 8.370 nan 0.000 0.508 757 K N 1.502 121.876 120.400 -0.043 0.000 2.218 757 K HA 0.152 4.736 4.320 0.441 0.000 0.276 757 K C -0.000 176.530 176.600 -0.116 0.000 1.022 757 K CA -0.470 55.758 56.287 -0.098 0.000 0.946 757 K CB 1.043 33.456 32.500 -0.146 0.000 1.000 757 K HN 0.097 nan 8.250 nan 0.000 0.468 758 D N 3.826 124.145 120.400 -0.134 0.000 2.372 758 D HA 0.117 5.022 4.640 0.441 0.000 0.243 758 D C -2.025 174.158 176.300 -0.195 0.000 1.121 758 D CA -1.226 52.700 54.000 -0.124 0.000 0.898 758 D CB 0.445 41.188 40.800 -0.096 0.000 1.202 758 D HN 0.219 nan 8.370 nan 0.000 0.428 759 P HA -0.009 nan 4.420 nan 0.000 0.267 759 P C -0.139 177.089 177.300 -0.120 0.000 1.200 759 P CA -0.128 62.903 63.100 -0.116 0.000 0.772 759 P CB 0.343 32.025 31.700 -0.031 0.000 0.855 760 F N 2.344 122.291 119.950 -0.005 0.000 2.563 760 F HA 0.095 4.886 4.527 0.441 0.000 0.363 760 F C 1.831 177.637 175.800 0.010 0.000 1.123 760 F CA 0.778 58.777 58.000 -0.001 0.000 1.307 760 F CB 0.271 39.257 39.000 -0.023 0.000 1.115 760 F HN 0.090 nan 8.300 nan 0.000 0.592 761 R N 1.221 121.869 120.500 0.246 0.000 2.732 761 R HA 0.607 5.212 4.340 0.441 0.000 0.278 761 R C -0.873 175.533 176.300 0.177 0.000 0.976 761 R CA -0.875 55.322 56.100 0.161 0.000 0.963 761 R CB 1.992 32.364 30.300 0.119 0.000 1.150 761 R HN 0.569 nan 8.270 nan 0.000 0.478 762 S N -0.189 115.591 115.700 0.132 0.000 2.619 762 S HA 0.490 5.225 4.470 0.441 0.000 0.280 762 S C -0.713 173.951 174.600 0.107 0.000 1.150 762 S CA -0.595 57.688 58.200 0.139 0.000 0.978 762 S CB 1.575 64.853 63.200 0.129 0.000 1.041 762 S HN 0.758 nan 8.310 nan 0.000 0.485 763 G N 3.474 112.340 108.800 0.110 0.000 2.333 763 G HA2 0.587 4.812 3.960 0.441 0.000 0.290 763 G HA3 0.587 4.812 3.960 0.441 0.000 0.290 763 G C -0.650 174.309 174.900 0.098 0.000 1.150 763 G CA -0.457 44.690 45.100 0.078 0.000 0.895 763 G HN 0.633 nan 8.290 nan 0.000 0.444 764 R N 1.601 122.143 120.500 0.071 0.000 2.621 764 R HA 0.418 5.022 4.340 0.441 0.000 0.292 764 R C 0.390 176.720 176.300 0.051 0.000 0.969 764 R CA -0.782 55.355 56.100 0.061 0.000 0.887 764 R CB 1.976 32.288 30.300 0.019 0.000 1.180 764 R HN 0.485 nan 8.270 nan 0.000 0.450 765 I N -0.124 120.478 120.570 0.053 0.000 3.621 765 I HA 0.417 4.852 4.170 0.441 0.000 0.325 765 I C 0.070 176.207 176.117 0.034 0.000 1.554 765 I CA -0.678 60.655 61.300 0.056 0.000 1.053 765 I CB 0.121 38.171 38.000 0.083 0.000 1.302 765 I HN 0.671 nan 8.210 nan 0.000 0.518 766 A N 0.472 123.287 122.820 -0.009 0.000 2.610 766 A HA -0.175 4.410 4.320 0.441 0.000 0.299 766 A C 0.156 177.785 177.584 0.076 0.000 1.487 766 A CA 0.972 53.004 52.037 -0.008 0.000 0.743 766 A CB -2.417 16.628 19.000 0.076 0.000 1.070 766 A HN 0.670 nan 8.150 nan 0.000 0.439 767 C N -0.129 119.119 119.300 -0.086 0.000 3.090 767 C HA 0.718 5.443 4.460 0.441 0.000 0.305 767 C C -0.589 174.143 174.990 -0.430 0.000 1.292 767 C CA -0.786 58.118 59.018 -0.189 0.000 1.482 767 C CB 2.147 29.674 27.740 -0.355 0.000 1.897 767 C HN 0.674 nan 8.230 nan 0.000 0.469 768 D N 0.985 121.209 120.400 -0.292 0.000 2.308 768 D HA 0.579 5.484 4.640 0.441 0.000 0.242 768 D C -0.942 175.197 176.300 -0.270 0.000 1.059 768 D CA 0.116 53.982 54.000 -0.223 0.000 0.830 768 D CB 0.834 41.669 40.800 0.059 0.000 1.161 768 D HN 0.294 nan 8.370 nan 0.000 0.494 769 F N 1.155 121.225 119.950 0.200 0.000 2.422 769 F HA 0.419 5.211 4.527 0.441 0.000 0.333 769 F C 0.858 176.845 175.800 0.312 0.000 1.095 769 F CA -0.940 57.182 58.000 0.204 0.000 1.038 769 F CB 1.798 40.825 39.000 0.045 0.000 1.156 769 F HN -0.109 nan 8.300 nan 0.000 0.483 770 K N 3.708 124.410 120.400 0.504 0.000 2.507 770 K HA 0.316 4.900 4.320 0.441 0.000 0.252 770 K C -1.498 175.285 176.600 0.305 0.000 0.943 770 K CA -0.763 55.743 56.287 0.365 0.000 0.808 770 K CB 1.348 33.993 32.500 0.242 0.000 1.142 770 K HN 0.591 nan 8.250 nan 0.000 0.426 771 L N 5.278 126.626 121.223 0.208 0.000 2.407 771 L HA 0.178 4.783 4.340 0.441 0.000 0.282 771 L C -0.786 176.074 176.870 -0.017 0.000 1.110 771 L CA 0.848 55.652 54.840 -0.060 0.000 0.863 771 L CB 0.296 42.246 42.059 -0.181 0.000 1.207 771 L HN 0.834 nan 8.230 nan 0.000 0.454 772 D N 4.685 125.081 120.400 -0.006 0.000 2.453 772 D HA 0.447 5.352 4.640 0.441 0.000 0.238 772 D C 0.616 176.913 176.300 -0.005 0.000 1.088 772 D CA 0.621 54.631 54.000 0.017 0.000 0.854 772 D CB 1.580 42.413 40.800 0.055 0.000 1.076 772 D HN 0.815 nan 8.370 nan 0.000 0.533 773 G N 5.174 113.958 108.800 -0.025 0.000 2.559 773 G HA2 -0.291 3.934 3.960 0.441 0.000 0.282 773 G HA3 -0.291 3.934 3.960 0.441 0.000 0.282 773 G C 0.400 175.242 174.900 -0.097 0.000 1.177 773 G CA 0.544 45.623 45.100 -0.035 0.000 0.960 773 G HN 0.661 nan 8.290 nan 0.000 0.540 774 D N 0.246 120.573 120.400 -0.122 0.000 2.501 774 D HA 0.243 5.148 4.640 0.441 0.000 0.224 774 D C 0.097 176.131 176.300 -0.443 0.000 1.202 774 D CA 0.041 53.882 54.000 -0.264 0.000 0.829 774 D CB 0.075 40.715 40.800 -0.267 0.000 1.023 774 D HN 0.576 nan 8.370 nan 0.000 0.499 775 H N -0.113 118.879 119.070 -0.131 0.000 2.717 775 H HA 0.250 5.071 4.556 0.441 0.000 0.366 775 H C -1.090 174.176 175.328 -0.104 0.000 1.132 775 H CA -0.559 55.433 56.048 -0.094 0.000 1.180 775 H CB 1.481 31.225 29.762 -0.029 0.000 1.678 775 H HN -0.035 nan 8.280 nan 0.000 0.537 776 Y N 0.835 121.188 120.300 0.089 0.000 2.304 776 Y HA 0.252 5.067 4.550 0.442 0.000 0.328 776 Y C 0.516 176.470 175.900 0.090 0.000 1.123 776 Y CA -0.143 57.980 58.100 0.037 0.000 1.218 776 Y CB 1.460 39.838 38.460 -0.136 0.000 1.207 776 Y HN 0.232 nan 8.280 nan 0.000 0.495 777 V N 4.473 124.579 119.914 0.319 0.000 2.815 777 V HA 0.482 4.867 4.120 0.441 0.000 0.314 777 V C -0.955 175.338 176.094 0.331 0.000 1.064 777 V CA -0.887 61.565 62.300 0.253 0.000 0.952 777 V CB 1.953 33.876 31.823 0.167 0.000 1.020 777 V HN 0.479 nan 8.190 nan 0.000 0.439 778 V N 7.220 127.300 119.914 0.277 0.000 2.370 778 V HA 0.294 4.679 4.120 0.441 0.000 0.257 778 V C 1.305 177.484 176.094 0.141 0.000 1.064 778 V CA 0.700 63.141 62.300 0.236 0.000 0.975 778 V CB 0.054 31.982 31.823 0.174 0.000 1.067 778 V HN 1.108 nan 8.190 nan 0.000 0.485 779 A N 4.908 127.803 122.820 0.125 0.000 1.929 779 A HA 0.062 4.647 4.320 0.441 0.000 0.216 779 A C 1.107 178.702 177.584 0.018 0.000 1.176 779 A CA 1.022 53.111 52.037 0.086 0.000 0.628 779 A CB 0.127 19.195 19.000 0.114 0.000 0.816 779 A HN 0.659 nan 8.150 nan 0.000 0.444 780 K N -1.585 118.797 120.400 -0.031 0.000 2.542 780 K HA 0.585 5.170 4.320 0.441 0.000 0.259 780 K C -1.826 174.689 176.600 -0.142 0.000 0.932 780 K CA -0.251 55.955 56.287 -0.134 0.000 0.820 780 K CB 1.885 34.235 32.500 -0.249 0.000 1.345 780 K HN 0.159 nan 8.250 nan 0.000 0.432 781 A N 3.884 126.617 122.820 -0.145 0.000 2.293 781 A HA 0.452 5.036 4.320 0.441 0.000 0.312 781 A C -1.482 176.133 177.584 0.050 0.000 1.309 781 A CA -0.533 51.500 52.037 -0.007 0.000 0.839 781 A CB 0.036 19.021 19.000 -0.025 0.000 1.155 781 A HN 0.591 nan 8.150 nan 0.000 0.501 782 Y N 1.135 121.482 120.300 0.077 0.000 2.411 782 Y HA 0.432 5.247 4.550 0.442 0.000 0.333 782 Y C 0.833 176.745 175.900 0.020 0.000 1.186 782 Y CA 0.786 58.901 58.100 0.025 0.000 1.381 782 Y CB 1.037 39.468 38.460 -0.049 0.000 1.273 782 Y HN 0.898 nan 8.280 nan 0.000 0.546 783 A N 1.366 124.159 122.820 -0.045 0.000 2.565 783 A HA 0.643 5.228 4.320 0.441 0.000 0.298 783 A C -0.045 177.289 177.584 -0.416 0.000 1.062 783 A CA -0.080 51.734 52.037 -0.372 0.000 0.723 783 A CB 0.617 19.092 19.000 -0.876 0.000 1.282 783 A HN 0.841 nan 8.150 nan 0.000 0.400 784 G N -0.091 108.458 108.800 -0.418 0.000 2.968 784 G HA2 0.430 4.655 3.960 0.441 0.000 0.206 784 G HA3 0.430 4.655 3.960 0.441 0.000 0.206 784 G C -0.488 174.193 174.900 -0.365 0.000 2.051 784 G CA 0.509 45.408 45.100 -0.334 0.000 0.773 784 G HN 0.678 nan 8.290 nan 0.000 0.741 785 D N -0.123 120.135 120.400 -0.237 0.000 2.411 785 D HA 0.225 5.130 4.640 0.441 0.000 0.225 785 D C 0.677 176.895 176.300 -0.136 0.000 1.156 785 D CA -0.584 53.330 54.000 -0.143 0.000 0.874 785 D CB 0.632 41.405 40.800 -0.045 0.000 1.034 785 D HN 0.223 nan 8.370 nan 0.000 0.502 786 Y N 1.720 121.945 120.300 -0.126 0.000 2.228 786 Y HA -0.242 4.573 4.550 0.441 0.000 0.285 786 Y C 2.545 178.396 175.900 -0.082 0.000 1.178 786 Y CA 1.209 59.220 58.100 -0.149 0.000 1.202 786 Y CB -0.173 38.181 38.460 -0.177 0.000 0.974 786 Y HN 0.354 nan 8.280 nan 0.000 0.527 787 S N -0.598 115.163 115.700 0.101 0.000 2.527 787 S HA -0.020 4.715 4.470 0.441 0.000 0.222 787 S C 0.681 175.304 174.600 0.038 0.000 0.985 787 S CA -0.050 58.185 58.200 0.058 0.000 0.921 787 S CB -0.260 62.967 63.200 0.046 0.000 0.772 787 S HN 0.309 nan 8.310 nan 0.000 0.529 788 N N 1.905 120.624 118.700 0.032 0.000 2.379 788 N HA 0.178 5.183 4.740 0.441 0.000 0.260 788 N C -0.011 175.523 175.510 0.041 0.000 1.254 788 N CA -0.135 52.938 53.050 0.038 0.000 0.958 788 N CB 0.333 38.851 38.487 0.052 0.000 1.208 788 N HN 0.292 nan 8.380 nan 0.000 0.532 789 E N -0.773 119.456 120.200 0.049 0.000 2.242 789 E HA 0.369 4.984 4.350 0.441 0.000 0.275 789 E C -0.012 176.636 176.600 0.081 0.000 1.002 789 E CA -0.645 55.780 56.400 0.043 0.000 0.841 789 E CB 0.450 30.157 29.700 0.011 0.000 1.109 789 E HN 0.702 nan 8.360 nan 0.000 0.394 790 G N 3.543 112.386 108.800 0.072 0.000 2.395 790 G HA2 -0.292 3.933 3.960 0.441 0.000 0.300 790 G HA3 -0.292 3.933 3.960 0.441 0.000 0.300 790 G C 0.129 175.132 174.900 0.171 0.000 0.998 790 G CA 0.897 46.064 45.100 0.111 0.000 1.046 790 G HN 0.686 nan 8.290 nan 0.000 0.513 791 E N -0.634 119.610 120.200 0.072 0.000 2.995 791 E HA 0.192 4.807 4.350 0.441 0.000 0.203 791 E C 0.526 177.067 176.600 -0.098 0.000 0.980 791 E CA 0.023 56.407 56.400 -0.026 0.000 1.172 791 E CB 0.423 30.085 29.700 -0.064 0.000 1.088 791 E HN 0.803 nan 8.360 nan 0.000 0.463 792 K N -1.078 119.315 120.400 -0.011 0.000 2.625 792 K HA 0.247 4.832 4.320 0.441 0.000 0.284 792 K C -0.671 176.056 176.600 0.211 0.000 0.984 792 K CA -0.769 55.533 56.287 0.026 0.000 0.865 792 K CB 1.291 33.706 32.500 -0.142 0.000 1.468 792 K HN -0.056 nan 8.250 nan 0.000 0.407 793 S N 1.931 117.866 115.700 0.393 0.000 2.575 793 S HA 0.067 4.802 4.470 0.441 0.000 0.295 793 S C -1.044 173.730 174.600 0.290 0.000 1.267 793 S CA -0.759 57.618 58.200 0.294 0.000 1.074 793 S CB 0.252 63.575 63.200 0.204 0.000 0.829 793 S HN 0.557 nan 8.310 nan 0.000 0.497 794 P HA -0.135 nan 4.420 nan 0.000 0.222 794 P C 1.398 178.810 177.300 0.187 0.000 1.142 794 P CA 1.078 64.276 63.100 0.163 0.000 0.788 794 P CB -0.035 31.736 31.700 0.119 0.000 0.767 795 I N -1.505 119.140 120.570 0.125 0.000 2.315 795 I HA -0.219 4.216 4.170 0.441 0.000 0.248 795 I C 2.293 178.483 176.117 0.122 0.000 1.117 795 I CA 1.231 62.576 61.300 0.074 0.000 1.404 795 I CB -0.706 37.214 38.000 -0.133 0.000 1.071 795 I HN -0.175 nan 8.210 nan 0.000 0.419 796 F N 1.355 121.370 119.950 0.108 0.000 2.184 796 F HA -0.272 4.520 4.527 0.441 0.000 0.301 796 F C 2.381 178.223 175.800 0.071 0.000 1.076 796 F CA 1.390 59.452 58.000 0.103 0.000 1.295 796 F CB -0.479 38.621 39.000 0.166 0.000 1.026 796 F HN 0.133 nan 8.300 nan 0.000 0.494 797 E N -1.232 119.102 120.200 0.222 0.000 2.396 797 E HA -0.220 4.395 4.350 0.441 0.000 0.200 797 E C 0.831 177.347 176.600 -0.140 0.000 1.023 797 E CA 0.831 57.240 56.400 0.015 0.000 0.857 797 E CB -0.242 29.407 29.700 -0.085 0.000 0.775 797 E HN 0.557 nan 8.360 nan 0.000 0.525 798 Y N -0.140 120.184 120.300 0.040 0.000 2.532 798 Y HA 0.209 5.024 4.550 0.442 0.000 0.283 798 Y C 1.247 177.148 175.900 0.002 0.000 1.181 798 Y CA 0.191 58.294 58.100 0.005 0.000 1.256 798 Y CB 0.884 39.329 38.460 -0.026 0.000 1.112 798 Y HN 0.004 nan 8.280 nan 0.000 0.521 799 G N 1.813 110.684 108.800 0.117 0.000 2.298 799 G HA2 -0.266 3.959 3.960 0.441 0.000 0.287 799 G HA3 -0.266 3.959 3.960 0.441 0.000 0.287 799 G C -0.266 174.675 174.900 0.069 0.000 1.075 799 G CA 0.511 45.661 45.100 0.084 0.000 0.960 799 G HN 0.533 nan 8.290 nan 0.000 0.502 800 I N -3.848 116.752 120.570 0.051 0.000 2.785 800 I HA 0.571 5.005 4.170 0.441 0.000 0.293 800 I C -1.272 174.734 176.117 -0.185 0.000 1.446 800 I CA -1.486 59.785 61.300 -0.048 0.000 1.028 800 I CB 2.142 40.052 38.000 -0.151 0.000 1.349 800 I HN -0.010 nan 8.210 nan 0.000 0.438 801 D N 7.258 127.570 120.400 -0.147 0.000 2.347 801 D HA 0.356 5.261 4.640 0.441 0.000 0.235 801 D C -1.502 174.594 176.300 -0.340 0.000 1.149 801 D CA -2.330 51.496 54.000 -0.290 0.000 0.850 801 D CB 1.746 42.594 40.800 0.079 0.000 1.061 801 D HN 0.444 nan 8.370 nan 0.000 0.487 802 P HA -0.095 nan 4.420 nan 0.000 0.225 802 P C 0.237 177.507 177.300 -0.048 0.000 1.148 802 P CA 0.274 63.128 63.100 -0.409 0.000 0.779 802 P CB -0.077 31.417 31.700 -0.343 0.000 0.780 803 T N 0.376 114.921 114.554 -0.016 0.000 2.939 803 T HA 0.215 4.830 4.350 0.441 0.000 0.312 803 T C 1.612 176.426 174.700 0.189 0.000 1.064 803 T CA 1.495 63.642 62.100 0.078 0.000 1.136 803 T CB -0.300 68.604 68.868 0.060 0.000 1.035 803 T HN 0.396 nan 8.240 nan 0.000 0.538 804 G N 1.841 110.727 108.800 0.142 0.000 2.302 804 G HA2 -0.301 3.924 3.960 0.441 0.000 0.263 804 G HA3 -0.301 3.924 3.960 0.441 0.000 0.263 804 G C 0.232 175.199 174.900 0.113 0.000 0.995 804 G CA 0.267 45.433 45.100 0.110 0.000 0.622 804 G HN 0.753 nan 8.290 nan 0.000 0.538 805 Y N 0.173 120.478 120.300 0.008 0.000 2.426 805 Y HA 0.512 5.327 4.550 0.442 0.000 0.344 805 Y C 1.357 177.269 175.900 0.019 0.000 1.256 805 Y CA -0.312 57.787 58.100 -0.001 0.000 1.451 805 Y CB 0.468 38.918 38.460 -0.018 0.000 1.342 805 Y HN 0.146 nan 8.280 nan 0.000 0.600 806 L N 3.679 124.973 121.223 0.119 0.000 2.322 806 L HA 0.404 5.009 4.340 0.441 0.000 0.279 806 L C -0.674 176.239 176.870 0.072 0.000 1.036 806 L CA -0.577 54.299 54.840 0.061 0.000 0.807 806 L CB 1.275 43.281 42.059 -0.088 0.000 1.226 806 L HN 0.468 nan 8.230 nan 0.000 0.433 807 I N 3.111 123.731 120.570 0.084 0.000 2.291 807 I HA 0.101 4.536 4.170 0.441 0.000 0.290 807 I C 0.862 177.017 176.117 0.065 0.000 1.050 807 I CA -0.377 60.947 61.300 0.039 0.000 1.245 807 I CB 1.291 39.262 38.000 -0.047 0.000 1.405 807 I HN 0.717 nan 8.210 nan 0.000 0.478 808 E N 4.816 125.034 120.200 0.030 0.000 2.004 808 E HA -0.067 4.548 4.350 0.441 0.000 0.192 808 E C -0.126 176.507 176.600 0.055 0.000 0.987 808 E CA 1.263 57.702 56.400 0.065 0.000 0.822 808 E CB 0.007 29.716 29.700 0.015 0.000 0.779 808 E HN 0.788 nan 8.360 nan 0.000 0.458 809 D N -1.235 119.166 120.400 0.002 0.000 2.552 809 D HA 0.564 5.468 4.640 0.441 0.000 0.239 809 D C -0.658 175.609 176.300 -0.055 0.000 1.139 809 D CA -0.602 53.384 54.000 -0.024 0.000 0.914 809 D CB 1.551 42.342 40.800 -0.016 0.000 1.461 809 D HN -0.061 nan 8.370 nan 0.000 0.462 810 I N 0.459 120.986 120.570 -0.070 0.000 2.478 810 I HA 0.266 4.701 4.170 0.441 0.000 0.287 810 I C -0.709 175.370 176.117 -0.063 0.000 1.042 810 I CA -0.682 60.570 61.300 -0.080 0.000 1.067 810 I CB 1.832 39.764 38.000 -0.114 0.000 1.233 810 I HN 0.620 nan 8.210 nan 0.000 0.431 811 D N 5.166 125.535 120.400 -0.052 0.000 2.708 811 D HA -0.196 4.709 4.640 0.441 0.000 0.236 811 D C 1.118 177.397 176.300 -0.035 0.000 1.146 811 D CA 1.630 55.605 54.000 -0.040 0.000 0.662 811 D CB -0.724 40.053 40.800 -0.039 0.000 1.059 811 D HN 1.118 nan 8.370 nan 0.000 0.428 812 G N -0.182 108.597 108.800 -0.034 0.000 2.284 812 G HA2 -0.382 3.843 3.960 0.441 0.000 0.261 812 G HA3 -0.382 3.843 3.960 0.441 0.000 0.261 812 G C 0.150 175.033 174.900 -0.028 0.000 0.997 812 G CA 0.764 45.847 45.100 -0.027 0.000 0.621 812 G HN 0.799 nan 8.290 nan 0.000 0.534 813 E N 1.214 121.393 120.200 -0.036 0.000 2.227 813 E HA 0.525 5.140 4.350 0.441 0.000 0.282 813 E C -0.040 176.537 176.600 -0.039 0.000 1.015 813 E CA -0.249 56.128 56.400 -0.038 0.000 0.823 813 E CB 0.543 30.215 29.700 -0.047 0.000 1.081 813 E HN 0.077 nan 8.360 nan 0.000 0.396 814 T N 3.327 117.864 114.554 -0.029 0.000 2.901 814 T HA 0.278 4.893 4.350 0.441 0.000 0.301 814 T C -0.398 174.286 174.700 -0.025 0.000 1.012 814 T CA -0.397 61.692 62.100 -0.018 0.000 1.135 814 T CB 0.710 69.570 68.868 -0.015 0.000 0.936 814 T HN 0.406 nan 8.240 nan 0.000 0.539 815 V N 0.708 120.619 119.914 -0.005 0.000 2.735 815 V HA 1.074 5.459 4.120 0.441 0.000 0.310 815 V C 0.226 176.380 176.094 0.101 0.000 1.061 815 V CA -0.192 62.124 62.300 0.027 0.000 0.913 815 V CB 1.376 33.167 31.823 -0.053 0.000 1.005 815 V HN 1.113 nan 8.190 nan 0.000 0.428 816 G N 1.998 110.854 108.800 0.094 0.000 2.455 816 G HA2 0.531 4.756 3.960 0.441 0.000 0.223 816 G HA3 0.531 4.756 3.960 0.441 0.000 0.223 816 G C 0.666 175.389 174.900 -0.296 0.000 1.226 816 G CA 0.003 44.993 45.100 -0.183 0.000 0.948 816 G HN 1.605 nan 8.290 nan 0.000 0.478 817 A N -0.525 122.107 122.820 -0.313 0.000 2.093 817 A HA 0.211 4.796 4.320 0.441 0.000 0.222 817 A C 2.298 179.798 177.584 -0.141 0.000 1.162 817 A CA 3.116 55.013 52.037 -0.232 0.000 0.655 817 A CB -0.782 18.102 19.000 -0.193 0.000 0.805 817 A HN 1.935 nan 8.150 nan 0.000 0.461 818 G N -2.284 106.448 108.800 -0.113 0.000 2.727 818 G HA2 0.283 4.508 3.960 0.441 0.000 0.203 818 G HA3 0.283 4.508 3.960 0.441 0.000 0.203 818 G C 0.664 175.542 174.900 -0.036 0.000 1.117 818 G CA 0.755 45.815 45.100 -0.067 0.000 0.817 818 G HN 0.420 nan 8.290 nan 0.000 0.553 819 S N 1.403 117.089 115.700 -0.023 0.000 2.422 819 S HA 0.316 5.051 4.470 0.441 0.000 0.298 819 S C -0.208 174.422 174.600 0.050 0.000 1.118 819 S CA -0.757 57.439 58.200 -0.007 0.000 1.083 819 S CB 0.466 63.649 63.200 -0.027 0.000 0.971 819 S HN 0.300 nan 8.310 nan 0.000 0.478 820 N N 5.123 123.830 118.700 0.012 0.000 2.429 820 N HA -0.015 4.990 4.740 0.441 0.000 0.271 820 N C 1.168 176.581 175.510 -0.163 0.000 1.272 820 N CA 0.225 53.291 53.050 0.025 0.000 0.921 820 N CB 0.121 38.598 38.487 -0.018 0.000 1.128 820 N HN 0.807 nan 8.380 nan 0.000 0.481 821 I N 4.706 125.054 120.570 -0.371 0.000 2.286 821 I HA -0.308 4.127 4.170 0.441 0.000 0.248 821 I C 0.834 176.553 176.117 -0.662 0.000 1.115 821 I CA 1.280 62.122 61.300 -0.763 0.000 1.392 821 I CB 0.034 37.047 38.000 -1.644 0.000 1.065 821 I HN 0.520 nan 8.210 nan 0.000 0.418 822 Y N 0.651 120.778 120.300 -0.289 0.000 2.114 822 Y HA -0.280 4.535 4.550 0.441 0.000 0.284 822 Y C 2.775 178.429 175.900 -0.410 0.000 1.143 822 Y CA 1.971 59.950 58.100 -0.203 0.000 1.135 822 Y CB -0.953 37.466 38.460 -0.067 0.000 0.980 822 Y HN 0.113 nan 8.280 nan 0.000 0.499 823 R N 0.368 120.479 120.500 -0.648 0.000 2.083 823 R HA -0.163 4.441 4.340 0.441 0.000 0.237 823 R C 2.057 178.084 176.300 -0.456 0.000 1.137 823 R CA 1.920 57.352 56.100 -1.114 0.000 0.951 823 R CB -0.662 28.937 30.300 -1.170 0.000 0.851 823 R HN 0.217 nan 8.270 nan 0.000 0.434 824 V N 1.474 121.192 119.914 -0.328 0.000 2.255 824 V HA -0.290 4.094 4.120 0.441 0.000 0.247 824 V C 2.460 178.456 176.094 -0.163 0.000 1.051 824 V CA 2.046 64.219 62.300 -0.212 0.000 1.018 824 V CB -0.488 31.211 31.823 -0.207 0.000 0.641 824 V HN 0.361 nan 8.190 nan 0.000 0.445 825 L N 0.008 121.125 121.223 -0.176 0.000 2.042 825 L HA -0.215 4.390 4.340 0.441 0.000 0.210 825 L C 2.743 179.594 176.870 -0.031 0.000 1.076 825 L CA 1.937 56.722 54.840 -0.091 0.000 0.749 825 L CB -0.656 41.364 42.059 -0.064 0.000 0.893 825 L HN 0.423 nan 8.230 nan 0.000 0.432 826 S N -0.148 115.534 115.700 -0.029 0.000 2.383 826 S HA -0.231 4.504 4.470 0.441 0.000 0.229 826 S C 1.699 176.323 174.600 0.040 0.000 1.030 826 S CA 1.574 59.805 58.200 0.051 0.000 1.002 826 S CB -0.187 63.092 63.200 0.131 0.000 0.829 826 S HN 0.488 nan 8.310 nan 0.000 0.467 827 E N -0.272 119.922 120.200 -0.010 0.000 2.511 827 E HA 0.033 4.648 4.350 0.441 0.000 0.196 827 E C 1.290 177.888 176.600 -0.003 0.000 1.066 827 E CA 0.410 56.810 56.400 -0.000 0.000 0.871 827 E CB 0.219 29.903 29.700 -0.026 0.000 0.863 827 E HN 0.336 nan 8.360 nan 0.000 0.520 828 K N -0.186 120.209 120.400 -0.007 0.000 2.402 828 K HA 0.233 4.818 4.320 0.441 0.000 0.204 828 K C 0.279 176.885 176.600 0.010 0.000 1.056 828 K CA -0.074 56.210 56.287 -0.005 0.000 1.069 828 K CB 0.870 33.358 32.500 -0.020 0.000 0.888 828 K HN -0.036 nan 8.250 nan 0.000 0.546 829 A N 1.114 123.947 122.820 0.021 0.000 2.580 829 A HA 0.328 4.913 4.320 0.441 0.000 0.244 829 A C 1.242 178.842 177.584 0.026 0.000 1.045 829 A CA 1.430 53.486 52.037 0.031 0.000 0.761 829 A CB -0.575 18.453 19.000 0.046 0.000 0.962 829 A HN 0.583 nan 8.150 nan 0.000 0.512 830 G N 1.611 110.426 108.800 0.025 0.000 2.157 830 G HA2 -0.008 4.217 3.960 0.441 0.000 0.239 830 G HA3 -0.008 4.217 3.960 0.441 0.000 0.239 830 G C 0.395 175.306 174.900 0.018 0.000 0.982 830 G CA 0.843 45.955 45.100 0.021 0.000 0.650 830 G HN 2.536 nan 8.290 nan 0.000 0.527 831 T N -2.828 111.736 114.554 0.018 0.000 2.778 831 T HA 0.751 5.366 4.350 0.441 0.000 0.293 831 T C -0.438 174.273 174.700 0.019 0.000 1.144 831 T CA 0.164 62.274 62.100 0.016 0.000 1.010 831 T CB 1.950 70.825 68.868 0.011 0.000 1.325 831 T HN 0.623 nan 8.240 nan 0.000 0.515 832 S N 0.315 116.027 115.700 0.020 0.000 2.451 832 S HA 0.799 5.534 4.470 0.441 0.000 0.301 832 S C -0.248 174.358 174.600 0.011 0.000 1.116 832 S CA -0.675 57.539 58.200 0.025 0.000 1.093 832 S CB 0.944 64.168 63.200 0.040 0.000 1.017 832 S HN 1.086 nan 8.310 nan 0.000 0.482 833 A N 2.677 125.497 122.820 0.000 0.000 2.380 833 A HA 0.735 5.320 4.320 0.441 0.000 0.315 833 A C -0.199 177.366 177.584 -0.032 0.000 1.101 833 A CA -0.923 51.103 52.037 -0.017 0.000 0.771 833 A CB 0.927 19.911 19.000 -0.026 0.000 1.287 833 A HN 0.810 nan 8.150 nan 0.000 0.436 834 R N 1.236 121.713 120.500 -0.039 0.000 2.389 834 R HA 0.490 5.094 4.340 0.441 0.000 0.295 834 R C -1.284 174.975 176.300 -0.068 0.000 1.075 834 R CA 0.136 56.202 56.100 -0.056 0.000 1.005 834 R CB 0.088 30.361 30.300 -0.046 0.000 0.987 834 R HN 0.604 nan 8.270 nan 0.000 0.452 835 I N 4.645 125.161 120.570 -0.091 0.000 2.439 835 I HA 0.269 4.704 4.170 0.441 0.000 0.285 835 I C -0.388 175.676 176.117 -0.088 0.000 1.021 835 I CA -1.124 60.123 61.300 -0.088 0.000 1.091 835 I CB 1.803 39.748 38.000 -0.092 0.000 1.242 835 I HN 0.517 nan 8.210 nan 0.000 0.439 836 R N 6.785 127.248 120.500 -0.061 0.000 2.234 836 R HA 0.600 5.205 4.340 0.441 0.000 0.324 836 R C -1.445 174.841 176.300 -0.024 0.000 1.054 836 R CA 0.120 56.194 56.100 -0.043 0.000 0.912 836 R CB 0.367 30.650 30.300 -0.028 0.000 1.030 836 R HN 0.575 nan 8.270 nan 0.000 0.455 837 L N 2.343 123.563 121.223 -0.004 0.000 2.319 837 L HA 0.586 5.191 4.340 0.441 0.000 0.267 837 L C -0.445 176.503 176.870 0.130 0.000 1.011 837 L CA -0.884 53.999 54.840 0.072 0.000 0.818 837 L CB 2.491 44.584 42.059 0.057 0.000 1.316 837 L HN 0.623 nan 8.230 nan 0.000 0.432 838 S N 0.180 115.979 115.700 0.165 0.000 2.779 838 S HA 0.591 5.326 4.470 0.441 0.000 0.293 838 S C 0.051 174.524 174.600 -0.213 0.000 1.150 838 S CA -0.634 57.572 58.200 0.010 0.000 1.057 838 S CB 1.739 64.886 63.200 -0.087 0.000 1.021 838 S HN 0.824 nan 8.310 nan 0.000 0.485 839 G N 1.596 110.062 108.800 -0.556 0.000 2.641 839 G HA2 0.566 4.791 3.960 0.441 0.000 0.239 839 G HA3 0.566 4.791 3.960 0.441 0.000 0.239 839 G C -0.361 174.226 174.900 -0.521 0.000 1.402 839 G CA -0.627 43.747 45.100 -1.209 0.000 1.046 839 G HN 0.484 nan 8.290 nan 0.000 0.565 840 K N -0.079 120.063 120.400 -0.430 0.000 2.401 840 K HA 0.478 5.063 4.320 0.441 0.000 0.278 840 K C 0.993 177.501 176.600 -0.154 0.000 1.018 840 K CA 1.430 57.586 56.287 -0.218 0.000 0.981 840 K CB 0.216 32.625 32.500 -0.152 0.000 0.933 840 K HN 1.412 nan 8.250 nan 0.000 0.477 841 G N 2.944 111.678 108.800 -0.109 0.000 2.514 841 G HA2 -0.253 3.971 3.960 0.441 0.000 0.265 841 G HA3 -0.253 3.971 3.960 0.441 0.000 0.265 841 G C 0.492 175.347 174.900 -0.076 0.000 1.150 841 G CA -0.081 44.974 45.100 -0.076 0.000 0.959 841 G HN 1.031 nan 8.290 nan 0.000 0.556 842 G N -0.021 108.746 108.800 -0.056 0.000 3.707 842 G HA2 0.427 4.652 3.960 0.441 0.000 0.286 842 G HA3 0.427 4.652 3.960 0.441 0.000 0.286 842 G C 0.041 174.919 174.900 -0.036 0.000 1.112 842 G CA 0.987 46.060 45.100 -0.045 0.000 0.861 842 G HN 0.668 nan 8.290 nan 0.000 0.534 843 D N 1.798 122.167 120.400 -0.052 0.000 2.357 843 D HA 0.120 5.024 4.640 0.441 0.000 0.265 843 D C 0.037 176.352 176.300 0.026 0.000 1.334 843 D CA 0.330 54.324 54.000 -0.010 0.000 0.984 843 D CB 0.433 41.209 40.800 -0.039 0.000 1.077 843 D HN -0.010 nan 8.370 nan 0.000 0.514 844 K N 3.998 124.418 120.400 0.034 0.000 2.235 844 K HA 0.435 5.020 4.320 0.441 0.000 0.266 844 K C 0.212 176.838 176.600 0.043 0.000 0.980 844 K CA -0.739 55.568 56.287 0.034 0.000 0.849 844 K CB 1.888 34.390 32.500 0.003 0.000 1.098 844 K HN 0.270 nan 8.250 nan 0.000 0.445 845 R N 1.356 121.881 120.500 0.042 0.000 2.740 845 R HA 0.370 4.975 4.340 0.441 0.000 0.282 845 R C -0.902 175.362 176.300 -0.060 0.000 0.969 845 R CA -0.790 55.300 56.100 -0.015 0.000 0.918 845 R CB 1.552 31.826 30.300 -0.042 0.000 1.175 845 R HN 0.523 nan 8.270 nan 0.000 0.464 846 D N 3.183 123.524 120.400 -0.100 0.000 2.358 846 D HA 0.326 5.231 4.640 0.441 0.000 0.253 846 D C -0.984 175.199 176.300 -0.195 0.000 1.288 846 D CA -0.302 53.630 54.000 -0.114 0.000 0.950 846 D CB 0.471 41.230 40.800 -0.068 0.000 1.197 846 D HN 0.384 nan 8.370 nan 0.000 0.550 847 L N 0.847 121.898 121.223 -0.287 0.000 2.319 847 L HA 0.606 5.211 4.340 0.441 0.000 0.267 847 L C 0.371 177.054 176.870 -0.312 0.000 1.011 847 L CA -1.047 53.490 54.840 -0.506 0.000 0.818 847 L CB 2.052 43.557 42.059 -0.923 0.000 1.316 847 L HN 0.072 nan 8.230 nan 0.000 0.432 848 M N 3.454 122.914 119.600 -0.234 0.000 2.589 848 M HA 0.357 5.102 4.480 0.441 0.000 0.340 848 M C -0.595 175.738 176.300 0.056 0.000 1.308 848 M CA -0.432 54.850 55.300 -0.030 0.000 1.332 848 M CB 0.218 32.854 32.600 0.060 0.000 1.219 848 M HN 0.339 nan 8.290 nan 0.000 0.467 849 I N 1.902 122.474 120.570 0.003 0.000 2.519 849 I HA 0.159 4.594 4.170 0.441 0.000 0.287 849 I C 0.391 176.549 176.117 0.068 0.000 1.047 849 I CA -0.415 60.925 61.300 0.066 0.000 1.381 849 I CB 0.611 38.619 38.000 0.013 0.000 1.417 849 I HN 0.372 nan 8.210 nan 0.000 0.540 850 D N 5.549 126.003 120.400 0.090 0.000 2.317 850 D HA 0.228 5.133 4.640 0.441 0.000 0.252 850 D C 0.103 176.434 176.300 0.052 0.000 1.174 850 D CA -0.133 53.906 54.000 0.064 0.000 0.866 850 D CB 1.045 41.885 40.800 0.066 0.000 1.127 850 D HN 0.095 nan 8.370 nan 0.000 0.467 851 I N 4.039 124.631 120.570 0.038 0.000 2.281 851 I HA 0.121 4.556 4.170 0.441 0.000 0.293 851 I C 0.616 176.754 176.117 0.036 0.000 1.085 851 I CA -0.405 60.916 61.300 0.035 0.000 1.257 851 I CB -0.293 37.720 38.000 0.023 0.000 1.430 851 I HN 0.157 nan 8.210 nan 0.000 0.489 852 L N 5.108 126.355 121.223 0.040 0.000 2.452 852 L HA 0.171 4.776 4.340 0.441 0.000 0.267 852 L C 1.400 178.290 176.870 0.033 0.000 1.188 852 L CA -0.186 54.674 54.840 0.034 0.000 0.821 852 L CB 0.777 42.856 42.059 0.033 0.000 1.102 852 L HN 0.506 nan 8.230 nan 0.000 0.470 853 D N -0.069 120.347 120.400 0.028 0.000 2.289 853 D HA -0.025 4.880 4.640 0.441 0.000 0.207 853 D C -0.128 176.187 176.300 0.024 0.000 0.966 853 D CA 1.031 55.049 54.000 0.030 0.000 0.868 853 D CB 0.546 41.361 40.800 0.026 0.000 0.943 853 D HN 0.602 nan 8.370 nan 0.000 0.514 854 D N -0.598 119.810 120.400 0.013 0.000 2.717 854 D HA 0.063 4.968 4.640 0.441 0.000 0.223 854 D C -1.464 174.828 176.300 -0.014 0.000 1.240 854 D CA -0.604 53.393 54.000 -0.006 0.000 0.801 854 D CB 1.506 42.300 40.800 -0.009 0.000 1.556 854 D HN -0.184 nan 8.370 nan 0.000 0.462 855 D N 1.799 122.168 120.400 -0.052 0.000 2.692 855 D HA 0.098 5.003 4.640 0.441 0.000 0.290 855 D C 1.135 177.358 176.300 -0.129 0.000 1.455 855 D CA -0.348 53.609 54.000 -0.071 0.000 0.796 855 D CB 0.194 40.936 40.800 -0.096 0.000 1.131 855 D HN 0.279 nan 8.370 nan 0.000 0.467 856 R N 0.047 120.484 120.500 -0.104 0.000 2.070 856 R HA -0.037 4.568 4.340 0.441 0.000 0.233 856 R C 1.551 177.795 176.300 -0.093 0.000 1.137 856 R CA 1.293 57.303 56.100 -0.149 0.000 0.945 856 R CB -0.964 29.258 30.300 -0.130 0.000 0.845 856 R HN 0.151 nan 8.270 nan 0.000 0.430 857 F N 0.895 120.774 119.950 -0.117 0.000 2.126 857 F HA -0.113 4.679 4.527 0.442 0.000 0.299 857 F C 1.805 177.596 175.800 -0.016 0.000 1.096 857 F CA 1.642 59.616 58.000 -0.042 0.000 1.255 857 F CB -0.284 38.690 39.000 -0.043 0.000 0.997 857 F HN 0.047 nan 8.300 nan 0.000 0.479 858 I N -0.015 120.494 120.570 -0.101 0.000 2.127 858 I HA -0.349 4.086 4.170 0.441 0.000 0.241 858 I C 2.551 178.529 176.117 -0.231 0.000 1.075 858 I CA 1.617 62.811 61.300 -0.176 0.000 1.334 858 I CB -0.630 37.333 38.000 -0.062 0.000 1.040 858 I HN 0.055 nan 8.210 nan 0.000 0.405 859 R N -0.212 120.116 120.500 -0.287 0.000 2.103 859 R HA -0.253 4.352 4.340 0.441 0.000 0.242 859 R C 2.417 178.580 176.300 -0.228 0.000 1.142 859 R CA 2.104 57.995 56.100 -0.348 0.000 0.960 859 R CB -0.726 29.246 30.300 -0.547 0.000 0.858 859 R HN 0.361 nan 8.270 nan 0.000 0.439 860 Y N 1.591 121.641 120.300 -0.417 0.000 2.070 860 Y HA -0.246 4.569 4.550 0.442 0.000 0.280 860 Y C 2.257 178.004 175.900 -0.254 0.000 1.148 860 Y CA 1.521 59.352 58.100 -0.448 0.000 1.125 860 Y CB -0.092 38.050 38.460 -0.530 0.000 0.975 860 Y HN -0.153 nan 8.280 nan 0.000 0.492 861 R N -0.030 120.080 120.500 -0.651 0.000 2.105 861 R HA -0.170 4.435 4.340 0.441 0.000 0.239 861 R C 2.680 178.764 176.300 -0.359 0.000 1.135 861 R CA 1.278 57.023 56.100 -0.592 0.000 0.967 861 R CB -1.333 28.608 30.300 -0.598 0.000 0.861 861 R HN 0.422 nan 8.270 nan 0.000 0.442 862 S N -0.031 115.525 115.700 -0.239 0.000 2.359 862 S HA -0.186 4.548 4.470 0.441 0.000 0.224 862 S C 1.681 176.229 174.600 -0.087 0.000 1.035 862 S CA 1.327 59.455 58.200 -0.120 0.000 1.018 862 S CB -0.298 62.946 63.200 0.074 0.000 0.876 862 S HN 0.560 nan 8.310 nan 0.000 0.448 863 W N 1.674 122.819 121.300 -0.259 0.000 2.358 863 W HA -0.106 4.818 4.660 0.441 0.000 0.303 863 W C 1.963 178.333 176.519 -0.248 0.000 1.208 863 W CA 1.557 58.765 57.345 -0.228 0.000 1.274 863 W CB -0.665 28.650 29.460 -0.242 0.000 1.138 863 W HN 0.103 nan 8.180 nan 0.000 0.515 864 V N 1.131 120.905 119.914 -0.235 0.000 2.261 864 V HA -0.285 4.100 4.120 0.441 0.000 0.246 864 V C 2.417 178.360 176.094 -0.251 0.000 1.047 864 V CA 2.302 64.431 62.300 -0.286 0.000 1.015 864 V CB -0.934 30.742 31.823 -0.245 0.000 0.642 864 V HN 0.094 nan 8.190 nan 0.000 0.446 865 E N 0.221 120.286 120.200 -0.225 0.000 2.204 865 E HA -0.176 4.439 4.350 0.441 0.000 0.195 865 E C 2.263 178.728 176.600 -0.225 0.000 0.990 865 E CA 1.398 57.685 56.400 -0.188 0.000 0.821 865 E CB -0.462 29.133 29.700 -0.176 0.000 0.750 865 E HN 0.595 nan 8.360 nan 0.000 0.477 866 A N 1.809 124.464 122.820 -0.274 0.000 1.841 866 A HA -0.189 4.396 4.320 0.441 0.000 0.214 866 A C 1.969 179.332 177.584 -0.369 0.000 1.195 866 A CA 1.563 53.433 52.037 -0.278 0.000 0.611 866 A CB -0.829 18.006 19.000 -0.275 0.000 0.835 866 A HN 0.295 nan 8.150 nan 0.000 0.443 867 N N -0.912 117.428 118.700 -0.599 0.000 2.205 867 N HA -0.204 4.801 4.740 0.441 0.000 0.186 867 N C 2.059 177.132 175.510 -0.728 0.000 1.015 867 N CA 1.153 53.735 53.050 -0.779 0.000 0.862 867 N CB -0.184 37.528 38.487 -1.292 0.000 0.986 867 N HN 0.502 nan 8.380 nan 0.000 0.429 868 R N 1.698 121.884 120.500 -0.524 0.000 2.073 868 R HA -0.054 4.551 4.340 0.441 0.000 0.234 868 R C 2.216 178.180 176.300 -0.560 0.000 1.134 868 R CA 1.238 57.069 56.100 -0.449 0.000 0.952 868 R CB 0.041 30.201 30.300 -0.233 0.000 0.850 868 R HN 0.192 nan 8.270 nan 0.000 0.433 869 R N -0.888 119.424 120.500 -0.314 0.000 2.073 869 R HA -0.203 4.402 4.340 0.441 0.000 0.234 869 R C 2.290 178.511 176.300 -0.131 0.000 1.134 869 R CA 1.856 57.858 56.100 -0.164 0.000 0.952 869 R CB -0.661 29.593 30.300 -0.075 0.000 0.850 869 R HN 0.301 nan 8.270 nan 0.000 0.433 870 Y N 1.472 121.605 120.300 -0.277 0.000 2.081 870 Y HA -0.294 4.521 4.550 0.441 0.000 0.280 870 Y C 2.170 177.935 175.900 -0.225 0.000 1.163 870 Y CA 1.609 59.567 58.100 -0.237 0.000 1.135 870 Y CB -0.488 37.801 38.460 -0.286 0.000 0.970 870 Y HN -0.222 nan 8.280 nan 0.000 0.498 871 V N 0.086 119.808 119.914 -0.321 0.000 2.332 871 V HA -0.347 4.038 4.120 0.441 0.000 0.248 871 V C 2.377 178.344 176.094 -0.213 0.000 1.055 871 V CA 2.295 64.400 62.300 -0.325 0.000 1.038 871 V CB -0.857 30.783 31.823 -0.305 0.000 0.651 871 V HN 0.485 nan 8.190 nan 0.000 0.450 872 H N 0.591 119.521 119.070 -0.234 0.000 2.293 872 H HA -0.124 4.697 4.556 0.441 0.000 0.300 872 H C 2.394 177.621 175.328 -0.167 0.000 1.082 872 H CA 1.895 57.824 56.048 -0.198 0.000 1.308 872 H CB -0.357 29.324 29.762 -0.135 0.000 1.375 872 H HN 0.568 nan 8.280 nan 0.000 0.495 873 E N 0.303 120.476 120.200 -0.046 0.000 2.051 873 E HA -0.155 4.460 4.350 0.441 0.000 0.192 873 E C 2.410 178.909 176.600 -0.168 0.000 0.991 873 E CA 0.822 57.163 56.400 -0.098 0.000 0.799 873 E CB -0.007 29.631 29.700 -0.103 0.000 0.748 873 E HN 0.261 nan 8.360 nan 0.000 0.449 874 R N 0.924 121.237 120.500 -0.312 0.000 2.115 874 R HA -0.082 4.523 4.340 0.441 0.000 0.230 874 R C 1.948 178.131 176.300 -0.195 0.000 1.111 874 R CA 1.547 57.455 56.100 -0.320 0.000 0.976 874 R CB -0.031 29.929 30.300 -0.567 0.000 0.870 874 R HN 0.166 nan 8.270 nan 0.000 0.445 875 S N 0.208 115.811 115.700 -0.161 0.000 2.671 875 S HA 0.121 4.856 4.470 0.441 0.000 0.220 875 S C 0.070 174.637 174.600 -0.055 0.000 0.951 875 S CA -0.262 57.881 58.200 -0.095 0.000 0.932 875 S CB 0.311 63.465 63.200 -0.076 0.000 0.777 875 S HN 0.188 nan 8.310 nan 0.000 0.508 876 K N 0.655 121.018 120.400 -0.061 0.000 3.071 876 K HA -0.178 4.406 4.320 0.441 0.000 0.265 876 K C 0.863 177.457 176.600 -0.010 0.000 1.060 876 K CA 0.702 56.968 56.287 -0.036 0.000 0.767 876 K CB -2.496 29.986 32.500 -0.031 0.000 1.241 876 K HN 1.298 nan 8.250 nan 0.000 0.486 877 G N -0.364 108.434 108.800 -0.004 0.000 2.198 877 G HA2 -0.371 3.854 3.960 0.441 0.000 0.260 877 G HA3 -0.371 3.854 3.960 0.441 0.000 0.260 877 G C 0.557 175.537 174.900 0.133 0.000 1.025 877 G CA 1.477 46.597 45.100 0.034 0.000 0.769 877 G HN 0.750 nan 8.290 nan 0.000 0.507 878 T N -2.629 111.979 114.554 0.091 0.000 3.044 878 T HA 0.637 5.251 4.350 0.441 0.000 0.260 878 T C 0.662 175.447 174.700 0.142 0.000 1.019 878 T CA 0.266 62.452 62.100 0.144 0.000 0.921 878 T CB 0.492 69.398 68.868 0.064 0.000 1.053 878 T HN 0.514 nan 8.240 nan 0.000 0.533 879 I N 1.331 121.899 120.570 -0.002 0.000 2.582 879 I HA 0.638 5.072 4.170 0.441 0.000 0.292 879 I C 0.483 176.390 176.117 -0.350 0.000 1.066 879 I CA -1.419 59.836 61.300 -0.074 0.000 1.053 879 I CB 2.229 40.209 38.000 -0.032 0.000 1.241 879 I HN 0.205 nan 8.210 nan 0.000 0.421 880 G N 3.598 112.224 108.800 -0.289 0.000 2.488 880 G HA2 0.515 4.740 3.960 0.441 0.000 0.318 880 G HA3 0.515 4.740 3.960 0.441 0.000 0.318 880 G C -1.961 172.930 174.900 -0.015 0.000 1.188 880 G CA -0.170 44.752 45.100 -0.297 0.000 0.944 880 G HN 0.503 nan 8.290 nan 0.000 0.495 881 Y N -0.474 119.733 120.300 -0.156 0.000 2.504 881 Y HA 0.707 5.522 4.550 0.442 0.000 0.344 881 Y C -0.887 174.978 175.900 -0.058 0.000 1.023 881 Y CA -1.193 56.836 58.100 -0.118 0.000 1.020 881 Y CB 1.724 40.054 38.460 -0.216 0.000 1.282 881 Y HN 0.465 nan 8.280 nan 0.000 0.454 882 I N 5.344 125.430 120.570 -0.808 0.000 2.827 882 I HA 0.313 4.748 4.170 0.441 0.000 0.298 882 I C -1.620 174.107 176.117 -0.649 0.000 1.235 882 I CA -0.885 60.093 61.300 -0.537 0.000 1.021 882 I CB 2.651 40.504 38.000 -0.244 0.000 1.259 882 I HN 0.652 nan 8.210 nan 0.000 0.427 883 H N 5.961 124.824 119.070 -0.345 0.000 2.759 883 H HA 0.532 5.353 4.556 0.442 0.000 0.354 883 H C -1.768 173.645 175.328 0.142 0.000 1.074 883 H CA -0.564 55.445 56.048 -0.065 0.000 1.226 883 H CB 2.143 32.020 29.762 0.193 0.000 1.648 883 H HN 0.469 nan 8.280 nan 0.000 0.529 884 I N 8.313 128.556 120.570 -0.546 0.000 2.337 884 I HA 0.183 4.618 4.170 0.441 0.000 0.285 884 I C -1.511 174.392 176.117 -0.357 0.000 1.041 884 I CA -2.007 59.105 61.300 -0.313 0.000 1.199 884 I CB 1.760 39.556 38.000 -0.340 0.000 1.370 884 I HN 0.438 nan 8.210 nan 0.000 0.470 885 P HA -0.136 nan 4.420 nan 0.000 0.216 885 P C -0.202 177.135 177.300 0.061 0.000 1.150 885 P CA 1.603 64.816 63.100 0.189 0.000 0.837 885 P CB 0.172 31.868 31.700 -0.006 0.000 0.786 886 D N -2.874 117.525 120.400 -0.001 0.000 2.851 886 D HA 0.168 5.073 4.640 0.441 0.000 0.339 886 D C -0.159 176.103 176.300 -0.063 0.000 1.347 886 D CA -0.598 53.403 54.000 0.000 0.000 0.888 886 D CB -0.244 40.605 40.800 0.081 0.000 1.431 886 D HN -0.316 nan 8.370 nan 0.000 0.509 887 M N 0.674 120.242 119.600 -0.053 0.000 2.972 887 M HA 0.505 5.250 4.480 0.441 0.000 0.323 887 M C 0.392 176.538 176.300 -0.256 0.000 1.213 887 M CA -0.286 54.919 55.300 -0.159 0.000 0.935 887 M CB 0.022 32.544 32.600 -0.130 0.000 1.289 887 M HN 0.598 nan 8.290 nan 0.000 0.525 888 G N -0.086 108.594 108.800 -0.199 0.000 3.212 888 G HA2 0.506 4.731 3.960 0.441 0.000 0.188 888 G HA3 0.506 4.731 3.960 0.441 0.000 0.188 888 G C 0.815 175.418 174.900 -0.495 0.000 1.254 888 G CA -0.311 44.494 45.100 -0.491 0.000 0.957 888 G HN 0.109 nan 8.290 nan 0.000 0.596 889 M N -0.112 119.087 119.600 -0.669 0.000 2.117 889 M HA 0.019 4.763 4.480 0.441 0.000 0.262 889 M C 2.437 178.814 176.300 0.129 0.000 1.065 889 M CA 1.290 56.450 55.300 -0.233 0.000 1.114 889 M CB -1.172 31.316 32.600 -0.186 0.000 1.361 889 M HN 0.593 nan 8.290 nan 0.000 0.408 890 M N 0.043 119.837 119.600 0.322 0.000 2.159 890 M HA -0.106 4.639 4.480 0.441 0.000 0.263 890 M C 1.994 178.406 176.300 0.187 0.000 1.063 890 M CA 1.989 57.482 55.300 0.321 0.000 1.110 890 M CB -0.514 32.205 32.600 0.197 0.000 1.374 890 M HN 0.297 nan 8.290 nan 0.000 0.411 891 G N 0.729 109.582 108.800 0.090 0.000 2.440 891 G HA2 -0.224 4.001 3.960 0.441 0.000 0.218 891 G HA3 -0.224 4.001 3.960 0.441 0.000 0.218 891 G C 1.267 176.193 174.900 0.043 0.000 1.154 891 G CA 0.695 45.810 45.100 0.025 0.000 0.767 891 G HN 0.374 nan 8.290 nan 0.000 0.552 892 L N 1.228 122.461 121.223 0.017 0.000 2.012 892 L HA -0.054 4.551 4.340 0.441 0.000 0.210 892 L C 2.572 179.596 176.870 0.256 0.000 1.073 892 L CA 1.408 56.312 54.840 0.106 0.000 0.748 892 L CB -0.754 41.344 42.059 0.067 0.000 0.891 892 L HN 0.154 nan 8.230 nan 0.000 0.431 893 N N -0.462 118.371 118.700 0.222 0.000 2.058 893 N HA -0.170 4.834 4.740 0.441 0.000 0.191 893 N C 1.680 177.341 175.510 0.251 0.000 1.037 893 N CA 1.317 54.512 53.050 0.241 0.000 0.848 893 N CB -0.216 38.402 38.487 0.218 0.000 1.021 893 N HN 0.337 nan 8.380 nan 0.000 0.422 894 E N 0.453 120.808 120.200 0.258 0.000 2.106 894 E HA -0.117 4.498 4.350 0.441 0.000 0.192 894 E C 1.848 178.551 176.600 0.172 0.000 0.984 894 E CA 0.347 56.908 56.400 0.268 0.000 0.806 894 E CB -0.617 29.305 29.700 0.370 0.000 0.750 894 E HN 0.393 nan 8.360 nan 0.000 0.458 895 F N 0.645 120.586 119.950 -0.016 0.000 2.051 895 F HA -0.245 4.547 4.527 0.442 0.000 0.296 895 F C 2.122 177.844 175.800 -0.129 0.000 1.122 895 F CA 1.519 59.416 58.000 -0.171 0.000 1.201 895 F CB -0.477 38.275 39.000 -0.412 0.000 0.978 895 F HN -0.043 nan 8.300 nan 0.000 0.472 896 Y N 0.063 120.437 120.300 0.123 0.000 2.352 896 Y HA -0.134 4.681 4.550 0.442 0.000 0.292 896 Y C 2.622 178.552 175.900 0.050 0.000 1.136 896 Y CA 1.280 59.424 58.100 0.073 0.000 1.227 896 Y CB -0.535 38.019 38.460 0.156 0.000 0.991 896 Y HN 0.044 nan 8.280 nan 0.000 0.545 897 R N 0.006 120.615 120.500 0.182 0.000 2.127 897 R HA -0.197 4.408 4.340 0.441 0.000 0.238 897 R C 1.174 177.520 176.300 0.076 0.000 1.134 897 R CA 1.605 57.786 56.100 0.135 0.000 0.975 897 R CB -0.169 30.219 30.300 0.146 0.000 0.865 897 R HN 0.292 nan 8.270 nan 0.000 0.447 898 L N -1.512 119.719 121.223 0.013 0.000 2.467 898 L HA 0.108 4.713 4.340 0.441 0.000 0.213 898 L C 1.657 178.495 176.870 -0.053 0.000 1.053 898 L CA 0.576 55.405 54.840 -0.019 0.000 0.847 898 L CB -0.596 41.433 42.059 -0.050 0.000 1.075 898 L HN 0.063 nan 8.230 nan 0.000 0.479 899 F N 1.852 121.587 119.950 -0.358 0.000 2.147 899 F HA -0.274 4.518 4.527 0.442 0.000 0.301 899 F C 2.221 177.957 175.800 -0.108 0.000 1.084 899 F CA 2.093 59.856 58.000 -0.394 0.000 1.268 899 F CB -0.247 38.256 39.000 -0.828 0.000 1.009 899 F HN 0.185 nan 8.300 nan 0.000 0.486 900 I N -1.928 118.626 120.570 -0.026 0.000 3.083 900 I HA -0.139 4.295 4.170 0.441 0.000 0.273 900 I C 0.883 176.940 176.117 -0.100 0.000 1.297 900 I CA 1.341 62.602 61.300 -0.066 0.000 1.452 900 I CB -0.531 37.516 38.000 0.077 0.000 1.078 900 I HN 0.160 nan 8.210 nan 0.000 0.484 901 N N 0.417 119.075 118.700 -0.070 0.000 2.168 901 N HA 0.072 5.077 4.740 0.441 0.000 0.216 901 N C 0.988 176.553 175.510 0.091 0.000 1.259 901 N CA 0.186 53.237 53.050 0.001 0.000 0.902 901 N CB 0.570 39.092 38.487 0.058 0.000 1.079 901 N HN 0.416 nan 8.380 nan 0.000 0.507 902 E N 0.157 120.392 120.200 0.059 0.000 2.511 902 E HA 0.108 4.722 4.350 0.441 0.000 0.209 902 E C 1.393 178.092 176.600 0.164 0.000 0.986 902 E CA 0.199 56.742 56.400 0.239 0.000 0.974 902 E CB 0.398 30.165 29.700 0.112 0.000 1.030 902 E HN 0.217 nan 8.360 nan 0.000 0.490 903 S N 0.318 115.927 115.700 -0.152 0.000 2.447 903 S HA -0.014 4.720 4.470 0.441 0.000 0.233 903 S C 1.703 176.261 174.600 -0.069 0.000 1.006 903 S CA 0.621 58.679 58.200 -0.237 0.000 0.957 903 S CB -0.077 62.620 63.200 -0.837 0.000 0.773 903 S HN -0.076 nan 8.310 nan 0.000 0.507 904 S N 0.872 116.531 115.700 -0.069 0.000 2.573 904 S HA 0.405 5.140 4.470 0.441 0.000 0.244 904 S C -0.626 173.902 174.600 -0.119 0.000 0.984 904 S CA -0.645 57.506 58.200 -0.083 0.000 1.001 904 S CB -0.281 62.840 63.200 -0.132 0.000 0.788 904 S HN 0.510 nan 8.310 nan 0.000 0.456 905 Y N 1.731 122.025 120.300 -0.010 0.000 2.392 905 Y HA 0.235 5.050 4.550 0.441 0.000 0.323 905 Y C 1.873 177.785 175.900 0.020 0.000 1.291 905 Y CA -0.632 57.468 58.100 0.001 0.000 1.345 905 Y CB 0.512 38.982 38.460 0.017 0.000 1.320 905 Y HN 0.028 nan 8.280 nan 0.000 0.518 906 Q N 0.611 120.530 119.800 0.198 0.000 2.181 906 Q HA -0.024 4.581 4.340 0.441 0.000 0.205 906 Q C 0.427 176.501 176.000 0.124 0.000 0.980 906 Q CA 1.259 57.135 55.803 0.122 0.000 0.862 906 Q CB -0.031 28.762 28.738 0.091 0.000 0.905 906 Q HN 0.829 nan 8.270 nan 0.000 0.429 907 G N -0.258 108.631 108.800 0.148 0.000 2.642 907 G HA2 0.561 4.786 3.960 0.441 0.000 0.293 907 G HA3 0.561 4.786 3.960 0.441 0.000 0.293 907 G C -2.064 172.914 174.900 0.130 0.000 1.341 907 G CA -0.536 44.635 45.100 0.119 0.000 0.916 907 G HN 0.028 nan 8.290 nan 0.000 0.474 908 L N 0.170 121.471 121.223 0.129 0.000 2.455 908 L HA 0.712 5.317 4.340 0.441 0.000 0.264 908 L C -1.223 175.728 176.870 0.135 0.000 0.968 908 L CA -0.717 54.201 54.840 0.131 0.000 0.827 908 L CB 1.935 44.092 42.059 0.164 0.000 1.317 908 L HN 0.474 nan 8.230 nan 0.000 0.407 909 I N 5.361 126.005 120.570 0.123 0.000 2.339 909 I HA 0.398 4.833 4.170 0.441 0.000 0.290 909 I C -0.719 175.430 176.117 0.053 0.000 0.994 909 I CA -0.869 60.514 61.300 0.138 0.000 1.191 909 I CB 1.835 39.981 38.000 0.244 0.000 1.343 909 I HN 0.268 nan 8.210 nan 0.000 0.458 910 V N 5.339 125.279 119.914 0.042 0.000 2.304 910 V HA 0.151 4.536 4.120 0.441 0.000 0.269 910 V C -0.144 175.921 176.094 -0.048 0.000 1.036 910 V CA -0.439 61.853 62.300 -0.014 0.000 0.840 910 V CB 1.132 32.999 31.823 0.075 0.000 1.036 910 V HN 0.603 nan 8.190 nan 0.000 0.466 911 D N 4.295 124.657 120.400 -0.064 0.000 2.316 911 D HA 0.237 5.141 4.640 0.441 0.000 0.245 911 D C 0.558 176.845 176.300 -0.022 0.000 1.171 911 D CA -0.183 53.879 54.000 0.102 0.000 0.856 911 D CB 1.844 42.877 40.800 0.388 0.000 1.090 911 D HN 0.405 nan 8.370 nan 0.000 0.476 912 V N 1.802 121.685 119.914 -0.051 0.000 3.085 912 V HA 0.406 4.791 4.120 0.441 0.000 0.345 912 V C 0.692 176.747 176.094 -0.066 0.000 1.397 912 V CA -0.718 61.468 62.300 -0.191 0.000 1.165 912 V CB -0.667 30.980 31.823 -0.294 0.000 1.153 912 V HN 0.261 nan 8.190 nan 0.000 0.495 913 R N 0.473 121.014 120.500 0.068 0.000 2.570 913 R HA 0.417 5.022 4.340 0.441 0.000 0.277 913 R C 0.152 176.401 176.300 -0.085 0.000 1.039 913 R CA 0.360 56.400 56.100 -0.100 0.000 1.065 913 R CB -0.051 30.174 30.300 -0.125 0.000 0.964 913 R HN 0.478 nan 8.270 nan 0.000 0.428 914 F N -1.208 118.703 119.950 -0.066 0.000 2.953 914 F HA -0.322 4.469 4.527 0.441 0.000 0.292 914 F C 0.617 176.380 175.800 -0.062 0.000 0.747 914 F CA 0.261 58.169 58.000 -0.152 0.000 1.222 914 F CB -1.272 37.297 39.000 -0.718 0.000 1.457 914 F HN 0.616 nan 8.300 nan 0.000 0.383 915 N N 1.902 120.643 118.700 0.069 0.000 2.406 915 N HA 0.148 5.153 4.740 0.441 0.000 0.265 915 N C 1.211 176.742 175.510 0.034 0.000 1.203 915 N CA 0.954 54.018 53.050 0.024 0.000 0.945 915 N CB 1.165 39.607 38.487 -0.075 0.000 1.165 915 N HN 0.394 nan 8.380 nan 0.000 0.485 916 G N 2.176 111.001 108.800 0.041 0.000 2.882 916 G HA2 0.225 4.449 3.960 0.441 0.000 0.206 916 G HA3 0.225 4.449 3.960 0.441 0.000 0.206 916 G C 0.852 175.771 174.900 0.032 0.000 1.155 916 G CA 0.443 45.546 45.100 0.005 0.000 0.800 916 G HN 0.978 nan 8.290 nan 0.000 0.524 917 G N -1.614 107.218 108.800 0.053 0.000 2.681 917 G HA2 0.381 4.605 3.960 0.441 0.000 0.220 917 G HA3 0.381 4.605 3.960 0.441 0.000 0.220 917 G C 0.538 175.503 174.900 0.107 0.000 1.353 917 G CA 0.212 45.367 45.100 0.092 0.000 0.872 917 G HN 1.888 nan 8.290 nan 0.000 0.557 918 G N -2.886 106.006 108.800 0.152 0.000 2.152 918 G HA2 0.573 4.798 3.960 0.441 0.000 0.058 918 G HA3 0.573 4.798 3.960 0.441 0.000 0.058 918 G C 0.369 175.431 174.900 0.270 0.000 0.966 918 G CA 1.191 46.429 45.100 0.230 0.000 1.149 918 G HN 2.488 nan 8.290 nan 0.000 0.402 919 F N -0.761 119.190 119.950 0.003 0.000 3.206 919 F HA 0.407 5.200 4.527 0.443 0.000 0.360 919 F C 0.995 176.765 175.800 -0.049 0.000 1.233 919 F CA 0.781 58.764 58.000 -0.029 0.000 0.936 919 F CB -0.407 38.569 39.000 -0.041 0.000 1.571 919 F HN 0.895 nan 8.300 nan 0.000 0.499 920 V N -1.073 118.497 119.914 -0.573 0.000 3.444 920 V HA 0.210 4.594 4.120 0.441 0.000 0.308 920 V C 2.065 178.024 176.094 -0.226 0.000 1.371 920 V CA 0.728 62.758 62.300 -0.450 0.000 1.141 920 V CB -0.658 30.820 31.823 -0.576 0.000 1.037 920 V HN 0.426 nan 8.190 nan 0.000 0.433 921 S N 2.283 117.913 115.700 -0.117 0.000 2.374 921 S HA -0.389 4.346 4.470 0.441 0.000 0.227 921 S C 1.979 176.609 174.600 0.050 0.000 1.037 921 S CA 2.050 60.261 58.200 0.019 0.000 1.024 921 S CB -0.835 62.451 63.200 0.144 0.000 0.861 921 S HN 0.896 nan 8.310 nan 0.000 0.456 922 Q N 1.358 121.177 119.800 0.033 0.000 2.181 922 Q HA -0.062 4.543 4.340 0.441 0.000 0.205 922 Q C 2.257 178.254 176.000 -0.005 0.000 0.980 922 Q CA 1.588 57.416 55.803 0.042 0.000 0.862 922 Q CB -0.792 27.983 28.738 0.061 0.000 0.905 922 Q HN 0.608 nan 8.270 nan 0.000 0.429 923 L N 0.077 121.265 121.223 -0.058 0.000 2.141 923 L HA -0.116 4.489 4.340 0.441 0.000 0.209 923 L C 2.436 179.199 176.870 -0.179 0.000 1.094 923 L CA 0.441 55.231 54.840 -0.084 0.000 0.763 923 L CB -0.431 41.573 42.059 -0.091 0.000 0.908 923 L HN 0.282 nan 8.230 nan 0.000 0.437 924 I N -0.095 120.308 120.570 -0.277 0.000 2.233 924 I HA -0.230 4.205 4.170 0.441 0.000 0.243 924 I C 2.632 178.632 176.117 -0.196 0.000 1.093 924 I CA 1.291 62.285 61.300 -0.511 0.000 1.380 924 I CB -0.690 36.966 38.000 -0.573 0.000 1.067 924 I HN 0.161 nan 8.210 nan 0.000 0.413 925 I N 0.884 121.464 120.570 0.016 0.000 2.208 925 I HA -0.301 4.134 4.170 0.441 0.000 0.245 925 I C 2.519 178.643 176.117 0.012 0.000 1.097 925 I CA 1.386 62.722 61.300 0.059 0.000 1.363 925 I CB -1.063 36.962 38.000 0.042 0.000 1.051 925 I HN 0.400 nan 8.210 nan 0.000 0.413 926 E N 1.038 121.232 120.200 -0.010 0.000 2.097 926 E HA -0.300 4.315 4.350 0.441 0.000 0.196 926 E C 2.087 178.688 176.600 0.001 0.000 1.000 926 E CA 1.792 58.192 56.400 0.000 0.000 0.804 926 E CB 0.145 29.847 29.700 0.004 0.000 0.740 926 E HN 0.219 nan 8.360 nan 0.000 0.454 927 K N 0.292 120.667 120.400 -0.042 0.000 2.025 927 K HA -0.027 4.557 4.320 0.441 0.000 0.207 927 K C 2.045 178.693 176.600 0.079 0.000 1.049 927 K CA 0.921 57.196 56.287 -0.019 0.000 0.933 927 K CB -0.266 32.113 32.500 -0.202 0.000 0.714 927 K HN 0.164 nan 8.250 nan 0.000 0.438 928 L N 0.129 121.408 121.223 0.093 0.000 2.265 928 L HA -0.104 4.500 4.340 0.441 0.000 0.215 928 L C 2.289 179.228 176.870 0.115 0.000 1.117 928 L CA 0.641 55.595 54.840 0.190 0.000 0.782 928 L CB -0.366 41.852 42.059 0.265 0.000 0.914 928 L HN 0.247 nan 8.230 nan 0.000 0.441 929 M N -0.360 119.275 119.600 0.059 0.000 2.254 929 M HA -0.085 4.660 4.480 0.441 0.000 0.265 929 M C 0.567 176.884 176.300 0.029 0.000 1.066 929 M CA 0.786 56.099 55.300 0.021 0.000 1.123 929 M CB -0.768 31.838 32.600 0.009 0.000 1.388 929 M HN 0.315 nan 8.290 nan 0.000 0.425 930 N N 2.000 120.729 118.700 0.047 0.000 2.292 930 N HA -0.075 4.930 4.740 0.441 0.000 0.258 930 N C -0.097 175.431 175.510 0.029 0.000 1.261 930 N CA 0.464 53.533 53.050 0.032 0.000 0.845 930 N CB 0.418 38.932 38.487 0.045 0.000 1.064 930 N HN 0.137 nan 8.380 nan 0.000 0.471 931 K N 2.627 123.029 120.400 0.005 0.000 2.235 931 K HA 0.177 4.762 4.320 0.441 0.000 0.266 931 K C -0.450 176.141 176.600 -0.015 0.000 0.980 931 K CA -0.739 55.552 56.287 0.006 0.000 0.849 931 K CB 0.971 33.477 32.500 0.010 0.000 1.098 931 K HN 0.428 nan 8.250 nan 0.000 0.445 932 R N 5.600 126.087 120.500 -0.021 0.000 2.343 932 R HA 0.088 4.692 4.340 0.441 0.000 0.326 932 R C 0.734 177.011 176.300 -0.039 0.000 1.055 932 R CA 0.195 56.252 56.100 -0.070 0.000 0.961 932 R CB 0.020 30.263 30.300 -0.095 0.000 0.978 932 R HN 0.779 nan 8.270 nan 0.000 0.443 933 I N 0.748 121.318 120.570 -0.000 0.000 4.240 933 I HA 0.504 4.939 4.170 0.441 0.000 0.331 933 I C 0.297 176.448 176.117 0.058 0.000 1.381 933 I CA -0.406 60.924 61.300 0.051 0.000 1.136 933 I CB 1.122 39.178 38.000 0.093 0.000 1.137 933 I HN 0.584 nan 8.210 nan 0.000 0.411 934 G N 0.074 108.870 108.800 -0.005 0.000 2.550 934 G HA2 0.590 4.815 3.960 0.441 0.000 0.293 934 G HA3 0.590 4.815 3.960 0.441 0.000 0.293 934 G C -2.286 172.502 174.900 -0.186 0.000 1.402 934 G CA -0.521 44.576 45.100 -0.005 0.000 0.784 934 G HN 0.070 nan 8.290 nan 0.000 0.482 935 Y N -0.859 119.487 120.300 0.076 0.000 2.615 935 Y HA 0.559 5.374 4.550 0.442 0.000 0.341 935 Y C -1.055 174.867 175.900 0.037 0.000 1.089 935 Y CA -0.748 57.393 58.100 0.068 0.000 1.049 935 Y CB 2.833 41.318 38.460 0.041 0.000 1.296 935 Y HN 0.524 nan 8.280 nan 0.000 0.470 936 D N 1.110 121.659 120.400 0.248 0.000 2.308 936 D HA 0.245 5.150 4.640 0.441 0.000 0.242 936 D C -1.459 174.904 176.300 0.105 0.000 1.059 936 D CA -0.471 53.608 54.000 0.132 0.000 0.830 936 D CB 0.872 41.740 40.800 0.113 0.000 1.161 936 D HN 0.510 nan 8.370 nan 0.000 0.494 937 N N 4.110 122.848 118.700 0.063 0.000 2.501 937 N HA 0.381 5.386 4.740 0.441 0.000 0.245 937 N C -2.280 173.244 175.510 0.023 0.000 0.974 937 N CA -1.024 52.047 53.050 0.034 0.000 0.941 937 N CB 1.387 39.886 38.487 0.019 0.000 1.122 937 N HN 0.269 nan 8.380 nan 0.000 0.507 938 P HA 0.276 nan 4.420 nan 0.000 0.286 938 P C 0.421 177.724 177.300 0.006 0.000 1.261 938 P CA -0.529 62.580 63.100 0.015 0.000 0.821 938 P CB 1.968 33.679 31.700 0.018 0.000 1.013 939 R N 2.918 123.421 120.500 0.005 0.000 2.096 939 R HA -0.138 4.467 4.340 0.441 0.000 0.240 939 R C 0.792 177.092 176.300 -0.001 0.000 1.139 939 R CA 1.670 57.770 56.100 0.001 0.000 0.952 939 R CB -0.287 30.014 30.300 0.002 0.000 0.854 939 R HN 0.652 nan 8.270 nan 0.000 0.436 940 R N -0.924 119.576 120.500 0.001 0.000 2.513 940 R HA 0.636 5.241 4.340 0.441 0.000 0.301 940 R C -0.529 175.770 176.300 -0.000 0.000 0.968 940 R CA -0.363 55.736 56.100 -0.002 0.000 0.872 940 R CB 1.751 32.051 30.300 -0.001 0.000 1.177 940 R HN 0.302 nan 8.270 nan 0.000 0.444 941 G N 1.113 109.910 108.800 -0.005 0.000 2.331 941 G HA2 0.023 4.248 3.960 0.441 0.000 0.402 941 G HA3 0.023 4.248 3.960 0.441 0.000 0.402 941 G C -0.796 174.098 174.900 -0.010 0.000 1.275 941 G CA -0.433 44.664 45.100 -0.005 0.000 1.003 941 G HN 0.896 nan 8.290 nan 0.000 0.500 942 T N -1.422 113.127 114.554 -0.009 0.000 2.948 942 T HA 0.750 5.365 4.350 0.441 0.000 0.285 942 T C 0.838 175.538 174.700 -0.001 0.000 1.019 942 T CA -0.711 61.378 62.100 -0.018 0.000 1.013 942 T CB 1.358 70.210 68.868 -0.027 0.000 1.117 942 T HN 0.846 nan 8.240 nan 0.000 0.533 943 L N 1.449 122.660 121.223 -0.019 0.000 2.506 943 L HA 0.301 4.906 4.340 0.441 0.000 0.281 943 L C 0.756 177.701 176.870 0.125 0.000 1.228 943 L CA -0.131 54.722 54.840 0.022 0.000 0.850 943 L CB 0.694 42.674 42.059 -0.131 0.000 1.110 943 L HN 0.725 nan 8.230 nan 0.000 0.496 944 S N 3.442 119.274 115.700 0.221 0.000 2.707 944 S HA 0.445 5.180 4.470 0.441 0.000 0.312 944 S C -2.367 172.396 174.600 0.271 0.000 1.116 944 S CA -1.457 56.865 58.200 0.203 0.000 1.078 944 S CB 1.258 64.536 63.200 0.130 0.000 0.997 944 S HN 0.321 nan 8.310 nan 0.000 0.477 945 P HA 0.124 nan 4.420 nan 0.000 0.271 945 P C -1.434 175.825 177.300 -0.067 0.000 1.218 945 P CA -0.230 62.785 63.100 -0.141 0.000 0.780 945 P CB 0.398 32.034 31.700 -0.108 0.000 0.901 946 Y N 3.890 124.026 120.300 -0.273 0.000 2.332 946 Y HA 0.450 5.265 4.550 0.441 0.000 0.326 946 Y C -2.629 173.200 175.900 -0.119 0.000 0.978 946 Y CA -2.655 55.366 58.100 -0.131 0.000 1.205 946 Y CB 1.549 39.952 38.460 -0.094 0.000 1.131 946 Y HN 0.278 nan 8.280 nan 0.000 0.462 947 P HA 0.215 nan 4.420 nan 0.000 0.274 947 P C 0.445 177.638 177.300 -0.177 0.000 1.256 947 P CA -0.027 62.755 63.100 -0.530 0.000 0.795 947 P CB 1.062 32.527 31.700 -0.392 0.000 1.038 948 T N -0.965 113.542 114.554 -0.079 0.000 2.812 948 T HA -0.088 4.527 4.350 0.441 0.000 0.264 948 T C 0.599 175.345 174.700 0.075 0.000 1.042 948 T CA 1.500 63.609 62.100 0.015 0.000 1.140 948 T CB -0.926 67.971 68.868 0.048 0.000 0.870 948 T HN 0.448 nan 8.240 nan 0.000 0.445 949 N N 2.232 121.021 118.700 0.148 0.000 3.250 949 N HA 0.205 5.210 4.740 0.441 0.000 0.307 949 N C -0.753 174.978 175.510 0.369 0.000 1.355 949 N CA -0.344 52.938 53.050 0.387 0.000 1.192 949 N CB 0.259 38.976 38.487 0.384 0.000 1.478 949 N HN 0.287 nan 8.380 nan 0.000 0.543 950 S N -1.481 114.341 115.700 0.204 0.000 2.482 950 S HA 0.476 5.211 4.470 0.441 0.000 0.303 950 S C -0.083 174.601 174.600 0.139 0.000 1.091 950 S CA -0.909 57.381 58.200 0.150 0.000 1.057 950 S CB 1.473 64.680 63.200 0.012 0.000 1.031 950 S HN -0.087 nan 8.310 nan 0.000 0.485 951 V N 4.374 124.403 119.914 0.193 0.000 2.637 951 V HA 0.240 4.624 4.120 0.441 0.000 0.296 951 V C 1.948 178.098 176.094 0.093 0.000 1.046 951 V CA -0.274 62.120 62.300 0.156 0.000 1.066 951 V CB 0.666 32.616 31.823 0.212 0.000 0.968 951 V HN 1.069 nan 8.190 nan 0.000 0.483 952 R N 2.752 123.297 120.500 0.074 0.000 2.073 952 R HA 0.028 4.632 4.340 0.441 0.000 0.229 952 R C 1.134 177.486 176.300 0.086 0.000 1.120 952 R CA 1.457 57.602 56.100 0.076 0.000 0.967 952 R CB -0.034 30.310 30.300 0.074 0.000 0.862 952 R HN 0.892 nan 8.270 nan 0.000 0.436 953 G N -0.098 108.760 108.800 0.097 0.000 3.356 953 G HA2 0.248 4.473 3.960 0.441 0.000 0.178 953 G HA3 0.248 4.473 3.960 0.441 0.000 0.178 953 G C -1.106 173.850 174.900 0.093 0.000 1.130 953 G CA -0.597 44.557 45.100 0.090 0.000 0.800 953 G HN -0.022 nan 8.290 nan 0.000 0.669 954 K N 0.561 121.015 120.400 0.090 0.000 2.270 954 K HA 0.452 5.037 4.320 0.441 0.000 0.276 954 K C -0.579 176.099 176.600 0.130 0.000 1.023 954 K CA 0.068 56.410 56.287 0.093 0.000 0.955 954 K CB 1.607 34.152 32.500 0.074 0.000 0.975 954 K HN 0.311 nan 8.250 nan 0.000 0.471 955 I N 2.811 123.480 120.570 0.164 0.000 2.530 955 I HA 0.461 4.896 4.170 0.441 0.000 0.297 955 I C -0.228 176.073 176.117 0.307 0.000 1.011 955 I CA -1.050 60.398 61.300 0.247 0.000 1.107 955 I CB 1.723 39.928 38.000 0.342 0.000 1.285 955 I HN 0.433 nan 8.210 nan 0.000 0.436 956 I N 4.055 124.784 120.570 0.264 0.000 2.582 956 I HA 0.710 5.145 4.170 0.441 0.000 0.292 956 I C -0.722 175.451 176.117 0.093 0.000 1.066 956 I CA -0.340 61.100 61.300 0.233 0.000 1.053 956 I CB 1.754 39.852 38.000 0.163 0.000 1.241 956 I HN 0.713 nan 8.210 nan 0.000 0.421 957 A N 8.049 130.834 122.820 -0.058 0.000 2.318 957 A HA 0.782 5.366 4.320 0.441 0.000 0.324 957 A C -0.869 176.677 177.584 -0.063 0.000 1.170 957 A CA -0.519 51.352 52.037 -0.277 0.000 0.810 957 A CB 0.632 19.069 19.000 -0.938 0.000 1.198 957 A HN 0.627 nan 8.150 nan 0.000 0.484 958 I N 1.575 122.147 120.570 0.003 0.000 2.377 958 I HA 0.576 5.011 4.170 0.441 0.000 0.293 958 I C 0.281 176.421 176.117 0.038 0.000 0.987 958 I CA -0.250 61.086 61.300 0.060 0.000 1.185 958 I CB 2.145 40.229 38.000 0.140 0.000 1.341 958 I HN 0.644 nan 8.210 nan 0.000 0.455 959 T N 4.310 118.875 114.554 0.018 0.000 2.894 959 T HA 0.536 5.151 4.350 0.441 0.000 0.309 959 T C -1.226 173.441 174.700 -0.054 0.000 1.208 959 T CA -0.678 61.416 62.100 -0.010 0.000 1.016 959 T CB 1.594 70.474 68.868 0.019 0.000 1.192 959 T HN 0.828 nan 8.240 nan 0.000 0.491 960 N N 0.981 119.607 118.700 -0.124 0.000 3.167 960 N HA 0.327 5.332 4.740 0.441 0.000 0.323 960 N C 0.624 176.010 175.510 -0.207 0.000 1.478 960 N CA -0.738 52.200 53.050 -0.186 0.000 0.753 960 N CB 0.315 38.627 38.487 -0.293 0.000 1.721 960 N HN 0.616 nan 8.380 nan 0.000 0.618 961 E N -0.727 119.271 120.200 -0.338 0.000 2.516 961 E HA -0.145 4.470 4.350 0.441 0.000 0.199 961 E C -0.177 176.196 176.600 -0.378 0.000 1.069 961 E CA 0.847 57.044 56.400 -0.338 0.000 0.876 961 E CB -0.563 28.888 29.700 -0.415 0.000 0.843 961 E HN 0.737 nan 8.360 nan 0.000 0.530 962 Y N 0.654 120.901 120.300 -0.087 0.000 2.524 962 Y HA 0.417 5.232 4.550 0.441 0.000 0.266 962 Y C 0.901 176.760 175.900 -0.068 0.000 1.180 962 Y CA -0.268 57.787 58.100 -0.074 0.000 1.244 962 Y CB 0.856 39.245 38.460 -0.118 0.000 1.125 962 Y HN 0.066 nan 8.280 nan 0.000 0.524 963 A N 0.743 123.601 122.820 0.063 0.000 2.288 963 A HA 0.776 5.361 4.320 0.441 0.000 0.320 963 A C 0.307 178.005 177.584 0.189 0.000 1.217 963 A CA -0.046 52.040 52.037 0.081 0.000 0.840 963 A CB 0.285 19.316 19.000 0.050 0.000 1.179 963 A HN 0.310 nan 8.150 nan 0.000 0.504 964 G N -0.630 108.280 108.800 0.184 0.000 2.727 964 G HA2 0.808 5.033 3.960 0.441 0.000 0.289 964 G HA3 0.808 5.033 3.960 0.441 0.000 0.289 964 G C 0.352 175.490 174.900 0.396 0.000 1.418 964 G CA 0.486 45.850 45.100 0.440 0.000 0.818 964 G HN 2.169 nan 8.290 nan 0.000 0.486 965 S N -0.087 116.001 115.700 0.648 0.000 4.139 965 S HA -0.355 4.380 4.470 0.441 0.000 0.603 965 S C 1.452 176.185 174.600 0.222 0.000 1.897 965 S CA 2.313 60.805 58.200 0.486 0.000 4.241 965 S CB -1.626 61.895 63.200 0.535 0.000 0.221 965 S HN 1.150 nan 8.310 nan 0.000 0.488 966 D N 1.470 121.963 120.400 0.156 0.000 2.350 966 D HA 0.209 5.114 4.640 0.441 0.000 0.216 966 D C 1.857 178.231 176.300 0.123 0.000 0.968 966 D CA 1.793 55.838 54.000 0.075 0.000 0.894 966 D CB -0.954 39.881 40.800 0.059 0.000 0.909 966 D HN 0.761 nan 8.370 nan 0.000 0.520 967 G N -0.033 108.858 108.800 0.151 0.000 2.394 967 G HA2 -0.210 4.014 3.960 0.441 0.000 0.215 967 G HA3 -0.210 4.014 3.960 0.441 0.000 0.215 967 G C 1.478 176.519 174.900 0.234 0.000 1.165 967 G CA 0.480 45.673 45.100 0.156 0.000 0.784 967 G HN 0.219 nan 8.290 nan 0.000 0.535 968 D N 0.776 121.327 120.400 0.251 0.000 2.097 968 D HA -0.094 4.811 4.640 0.441 0.000 0.197 968 D C 2.671 179.118 176.300 0.245 0.000 0.984 968 D CA 0.585 54.738 54.000 0.255 0.000 0.826 968 D CB -0.014 40.945 40.800 0.265 0.000 0.973 968 D HN 0.163 nan 8.370 nan 0.000 0.460 969 I N 0.904 121.561 120.570 0.144 0.000 2.118 969 I HA -0.272 4.162 4.170 0.441 0.000 0.241 969 I C 2.485 178.767 176.117 0.274 0.000 1.070 969 I CA 1.008 62.367 61.300 0.099 0.000 1.327 969 I CB -1.212 36.646 38.000 -0.237 0.000 1.034 969 I HN -0.026 nan 8.210 nan 0.000 0.405 970 F N 2.097 122.107 119.950 0.101 0.000 2.069 970 F HA -0.267 4.525 4.527 0.441 0.000 0.298 970 F C 2.814 178.704 175.800 0.150 0.000 1.113 970 F CA 2.225 60.286 58.000 0.102 0.000 1.214 970 F CB -0.347 38.664 39.000 0.019 0.000 0.978 970 F HN -0.028 nan 8.300 nan 0.000 0.474 971 S N 0.459 116.314 115.700 0.259 0.000 2.365 971 S HA -0.261 4.473 4.470 0.441 0.000 0.225 971 S C 1.839 176.470 174.600 0.051 0.000 1.039 971 S CA 1.659 59.940 58.200 0.135 0.000 1.033 971 S CB -1.044 62.269 63.200 0.188 0.000 0.887 971 S HN 0.531 nan 8.310 nan 0.000 0.447 972 F N 2.298 122.223 119.950 -0.042 0.000 2.102 972 F HA -0.157 4.635 4.527 0.442 0.000 0.298 972 F C 2.507 178.144 175.800 -0.272 0.000 1.105 972 F CA 1.468 59.345 58.000 -0.206 0.000 1.239 972 F CB -0.454 38.317 39.000 -0.381 0.000 0.991 972 F HN 0.090 nan 8.300 nan 0.000 0.474 973 S N 0.199 115.944 115.700 0.076 0.000 2.368 973 S HA -0.212 4.523 4.470 0.441 0.000 0.225 973 S C 1.815 176.313 174.600 -0.170 0.000 1.030 973 S CA 1.321 59.531 58.200 0.016 0.000 0.999 973 S CB -0.858 62.429 63.200 0.144 0.000 0.844 973 S HN 0.491 nan 8.310 nan 0.000 0.459 974 F N 2.268 121.956 119.950 -0.436 0.000 2.126 974 F HA -0.137 4.655 4.527 0.441 0.000 0.299 974 F C 2.123 177.749 175.800 -0.289 0.000 1.096 974 F CA 1.471 59.213 58.000 -0.430 0.000 1.255 974 F CB -0.138 38.534 39.000 -0.548 0.000 0.997 974 F HN 0.053 nan 8.300 nan 0.000 0.479 975 K N -0.053 120.246 120.400 -0.168 0.000 1.984 975 K HA -0.215 4.370 4.320 0.441 0.000 0.209 975 K C 2.140 178.526 176.600 -0.356 0.000 1.046 975 K CA 1.534 57.666 56.287 -0.260 0.000 0.934 975 K CB -0.291 32.022 32.500 -0.312 0.000 0.717 975 K HN -0.034 nan 8.250 nan 0.000 0.438 976 K N 1.397 121.514 120.400 -0.472 0.000 2.059 976 K HA -0.139 4.446 4.320 0.441 0.000 0.212 976 K C 1.625 178.083 176.600 -0.237 0.000 1.050 976 K CA 1.489 57.544 56.287 -0.387 0.000 0.927 976 K CB -0.260 32.002 32.500 -0.398 0.000 0.714 976 K HN 0.097 nan 8.250 nan 0.000 0.447 977 L N -0.400 120.686 121.223 -0.229 0.000 2.599 977 L HA 0.157 4.762 4.340 0.441 0.000 0.230 977 L C 0.881 177.606 176.870 -0.242 0.000 1.141 977 L CA 0.285 55.010 54.840 -0.191 0.000 0.877 977 L CB -0.451 41.505 42.059 -0.171 0.000 1.009 977 L HN 0.526 nan 8.230 nan 0.000 0.447 978 G N 0.705 109.328 108.800 -0.295 0.000 2.366 978 G HA2 -0.286 3.939 3.960 0.441 0.000 0.299 978 G HA3 -0.286 3.939 3.960 0.441 0.000 0.299 978 G C 0.573 175.253 174.900 -0.367 0.000 1.020 978 G CA 0.079 45.005 45.100 -0.290 0.000 1.026 978 G HN 0.209 nan 8.290 nan 0.000 0.512 979 L N -0.476 120.351 121.223 -0.661 0.000 2.395 979 L HA 0.448 5.052 4.340 0.441 0.000 0.218 979 L C 1.831 178.365 176.870 -0.560 0.000 1.130 979 L CA 1.916 56.340 54.840 -0.694 0.000 0.826 979 L CB -0.598 40.834 42.059 -1.044 0.000 0.941 979 L HN 1.042 nan 8.230 nan 0.000 0.451 980 G N -2.258 106.212 108.800 -0.549 0.000 2.317 980 G HA2 0.155 4.380 3.960 0.441 0.000 0.293 980 G HA3 0.155 4.380 3.960 0.441 0.000 0.293 980 G C -1.296 173.685 174.900 0.135 0.000 1.287 980 G CA -0.922 44.150 45.100 -0.046 0.000 0.850 980 G HN -0.278 nan 8.290 nan 0.000 0.515 981 K N -0.251 120.291 120.400 0.236 0.000 2.185 981 K HA 0.547 5.132 4.320 0.441 0.000 0.271 981 K C -0.727 176.045 176.600 0.288 0.000 1.013 981 K CA -0.621 55.792 56.287 0.210 0.000 0.943 981 K CB 1.985 34.582 32.500 0.162 0.000 0.998 981 K HN 0.389 nan 8.250 nan 0.000 0.468 982 L N 3.914 125.253 121.223 0.194 0.000 2.272 982 L HA 0.375 4.979 4.340 0.441 0.000 0.289 982 L C -1.009 175.903 176.870 0.069 0.000 1.032 982 L CA -0.454 54.460 54.840 0.123 0.000 0.810 982 L CB 0.671 42.788 42.059 0.098 0.000 1.205 982 L HN 0.404 nan 8.230 nan 0.000 0.422 983 I N 4.465 125.070 120.570 0.059 0.000 2.603 983 I HA 0.928 5.362 4.170 0.441 0.000 0.300 983 I C 0.680 176.796 176.117 -0.002 0.000 1.017 983 I CA 0.308 61.624 61.300 0.028 0.000 1.098 983 I CB 1.615 39.685 38.000 0.116 0.000 1.279 983 I HN 0.762 nan 8.210 nan 0.000 0.437 984 G N 3.177 111.948 108.800 -0.048 0.000 2.204 984 G HA2 0.222 4.447 3.960 0.441 0.000 0.153 984 G HA3 0.222 4.447 3.960 0.441 0.000 0.153 984 G C -0.645 174.224 174.900 -0.052 0.000 1.295 984 G CA -0.118 44.959 45.100 -0.038 0.000 1.257 984 G HN 0.909 nan 8.290 nan 0.000 0.495 985 T N -2.036 112.487 114.554 -0.052 0.000 2.903 985 T HA 0.698 5.312 4.350 0.441 0.000 0.299 985 T C -0.061 174.593 174.700 -0.076 0.000 1.093 985 T CA 0.014 62.077 62.100 -0.061 0.000 1.002 985 T CB 2.426 71.257 68.868 -0.061 0.000 1.127 985 T HN 1.020 nan 8.240 nan 0.000 0.488 986 R N 1.749 122.192 120.500 -0.094 0.000 2.566 986 R HA 0.224 4.829 4.340 0.441 0.000 0.273 986 R C 0.818 177.057 176.300 -0.103 0.000 0.981 986 R CA 0.524 56.547 56.100 -0.129 0.000 1.091 986 R CB -0.057 30.102 30.300 -0.235 0.000 0.924 986 R HN 0.932 nan 8.270 nan 0.000 0.411 987 T N 1.410 115.935 114.554 -0.049 0.000 2.754 987 T HA -0.020 4.595 4.350 0.441 0.000 0.286 987 T C 0.975 175.760 174.700 0.142 0.000 0.997 987 T CA -0.338 61.792 62.100 0.050 0.000 0.982 987 T CB 0.449 69.390 68.868 0.121 0.000 1.027 987 T HN 0.823 nan 8.240 nan 0.000 0.529 988 W N 1.941 123.272 121.300 0.053 0.000 2.290 988 W HA -0.053 4.872 4.660 0.441 0.000 0.328 988 W C 1.792 178.468 176.519 0.262 0.000 1.272 988 W CA 2.811 60.259 57.345 0.172 0.000 1.262 988 W CB -1.087 28.504 29.460 0.219 0.000 1.151 988 W HN 1.430 nan 8.180 nan 0.000 0.473 989 G N -0.951 107.984 108.800 0.226 0.000 2.167 989 G HA2 0.025 4.249 3.960 0.441 0.000 0.194 989 G HA3 0.025 4.249 3.960 0.441 0.000 0.194 989 G C 0.051 174.946 174.900 -0.008 0.000 1.027 989 G CA -0.126 45.008 45.100 0.057 0.000 0.717 989 G HN 1.039 nan 8.290 nan 0.000 0.501 990 G N -0.602 108.096 108.800 -0.171 0.000 2.728 990 G HA2 0.681 4.906 3.960 0.441 0.000 0.296 990 G HA3 0.681 4.906 3.960 0.441 0.000 0.296 990 G C 0.128 175.188 174.900 0.267 0.000 1.401 990 G CA 0.115 45.056 45.100 -0.264 0.000 1.007 990 G HN 1.611 nan 8.290 nan 0.000 0.527 991 V N 0.554 120.546 119.914 0.131 0.000 2.647 991 V HA 0.483 4.867 4.120 0.441 0.000 0.305 991 V C -0.586 175.466 176.094 -0.070 0.000 1.162 991 V CA -0.751 61.590 62.300 0.069 0.000 1.248 991 V CB 0.557 32.406 31.823 0.042 0.000 1.508 991 V HN 0.286 nan 8.190 nan 0.000 0.647 992 V N 1.924 121.694 119.914 -0.239 0.000 2.289 992 V HA 0.726 5.111 4.120 0.441 0.000 0.272 992 V C 1.337 177.164 176.094 -0.445 0.000 1.026 992 V CA 0.039 62.148 62.300 -0.318 0.000 0.807 992 V CB 0.925 32.522 31.823 -0.376 0.000 1.044 992 V HN 0.712 nan 8.190 nan 0.000 0.443 993 G N 4.436 113.091 108.800 -0.242 0.000 2.568 993 G HA2 0.340 4.565 3.960 0.441 0.000 0.231 993 G HA3 0.340 4.565 3.960 0.441 0.000 0.231 993 G C -0.467 174.444 174.900 0.018 0.000 1.261 993 G CA 0.249 45.236 45.100 -0.187 0.000 0.855 993 G HN 0.919 nan 8.290 nan 0.000 0.576 994 I N -2.400 118.140 120.570 -0.051 0.000 2.619 994 I HA 0.655 5.090 4.170 0.441 0.000 0.292 994 I C -0.380 175.721 176.117 -0.027 0.000 1.100 994 I CA -0.940 60.394 61.300 0.057 0.000 1.043 994 I CB 2.408 40.400 38.000 -0.013 0.000 1.239 994 I HN 0.232 nan 8.210 nan 0.000 0.420 995 T N 5.470 120.066 114.554 0.069 0.000 3.135 995 T HA 0.436 5.051 4.350 0.441 0.000 0.357 995 T C -2.584 172.148 174.700 0.052 0.000 1.112 995 T CA -0.697 61.387 62.100 -0.027 0.000 1.290 995 T CB 0.695 69.465 68.868 -0.163 0.000 1.018 995 T HN 0.594 nan 8.240 nan 0.000 0.527 996 P HA 0.234 nan 4.420 nan 0.000 0.269 996 P C 0.054 177.393 177.300 0.064 0.000 1.209 996 P CA -0.297 62.835 63.100 0.054 0.000 0.776 996 P CB 1.085 32.813 31.700 0.047 0.000 0.876 997 K N 0.786 121.252 120.400 0.109 0.000 2.582 997 K HA 0.300 4.885 4.320 0.441 0.000 0.204 997 K C 0.375 177.165 176.600 0.317 0.000 1.221 997 K CA -0.560 55.826 56.287 0.166 0.000 1.048 997 K CB 1.061 33.599 32.500 0.064 0.000 1.011 997 K HN 0.256 nan 8.250 nan 0.000 0.597 998 R N 0.881 121.515 120.500 0.224 0.000 2.626 998 R HA 0.421 5.025 4.340 0.441 0.000 0.274 998 R C -1.363 175.000 176.300 0.105 0.000 1.031 998 R CA -0.596 55.613 56.100 0.182 0.000 0.898 998 R CB 1.972 32.387 30.300 0.191 0.000 1.222 998 R HN 0.061 nan 8.270 nan 0.000 0.455 999 R N 2.433 122.978 120.500 0.075 0.000 2.856 999 R HA 0.537 5.142 4.340 0.441 0.000 0.258 999 R C -0.555 175.778 176.300 0.055 0.000 1.066 999 R CA -0.879 55.264 56.100 0.071 0.000 1.045 999 R CB 1.296 31.644 30.300 0.080 0.000 1.178 999 R HN 0.374 nan 8.270 nan 0.000 0.499 1000 L N 2.377 123.640 121.223 0.067 0.000 2.379 1000 L HA 0.284 4.888 4.340 0.441 0.000 0.269 1000 L C 1.999 178.907 176.870 0.063 0.000 1.084 1000 L CA -0.304 54.569 54.840 0.055 0.000 0.802 1000 L CB 1.175 43.270 42.059 0.059 0.000 1.175 1000 L HN 0.772 nan 8.230 nan 0.000 0.448 1001 I N -1.167 119.424 120.570 0.034 0.000 2.479 1001 I HA -0.272 4.163 4.170 0.441 0.000 0.258 1001 I C 1.315 177.455 176.117 0.040 0.000 1.165 1001 I CA 1.649 62.963 61.300 0.023 0.000 1.422 1001 I CB -0.428 37.556 38.000 -0.027 0.000 1.087 1001 I HN 0.787 nan 8.210 nan 0.000 0.441 1002 D N 0.659 121.096 120.400 0.061 0.000 2.340 1002 D HA 0.157 5.062 4.640 0.441 0.000 0.217 1002 D C 1.608 178.115 176.300 0.345 0.000 1.081 1002 D CA 0.504 54.576 54.000 0.120 0.000 0.842 1002 D CB 0.388 41.203 40.800 0.024 0.000 0.934 1002 D HN 0.541 nan 8.370 nan 0.000 0.511 1003 G N 0.118 109.070 108.800 0.253 0.000 2.195 1003 G HA2 -0.280 3.945 3.960 0.441 0.000 0.246 1003 G HA3 -0.280 3.945 3.960 0.441 0.000 0.246 1003 G C 0.530 175.516 174.900 0.143 0.000 0.984 1003 G CA 0.290 45.510 45.100 0.200 0.000 0.633 1003 G HN 0.449 nan 8.290 nan 0.000 0.525 1004 T N 0.861 115.498 114.554 0.137 0.000 2.946 1004 T HA 0.369 4.984 4.350 0.441 0.000 0.312 1004 T C 0.467 175.230 174.700 0.106 0.000 1.066 1004 T CA 0.652 62.830 62.100 0.129 0.000 1.138 1004 T CB 1.905 70.844 68.868 0.117 0.000 1.014 1004 T HN 0.633 nan 8.240 nan 0.000 0.544 1005 V N 5.536 125.512 119.914 0.103 0.000 2.313 1005 V HA 0.346 4.731 4.120 0.441 0.000 0.278 1005 V C 0.190 176.336 176.094 0.087 0.000 1.017 1005 V CA -0.652 61.700 62.300 0.085 0.000 0.823 1005 V CB 0.731 32.597 31.823 0.072 0.000 1.010 1005 V HN 0.679 nan 8.190 nan 0.000 0.443 1006 L N 4.356 125.625 121.223 0.077 0.000 2.379 1006 L HA 0.732 5.337 4.340 0.441 0.000 0.269 1006 L C 0.623 177.525 176.870 0.053 0.000 1.084 1006 L CA -0.210 54.672 54.840 0.069 0.000 0.802 1006 L CB 1.987 44.076 42.059 0.050 0.000 1.175 1006 L HN 0.749 nan 8.230 nan 0.000 0.448 1007 T N -0.656 113.921 114.554 0.039 0.000 2.887 1007 T HA 0.698 5.313 4.350 0.441 0.000 0.288 1007 T C -0.758 173.904 174.700 -0.063 0.000 1.021 1007 T CA -0.922 61.173 62.100 -0.008 0.000 1.000 1007 T CB 2.093 70.942 68.868 -0.032 0.000 1.034 1007 T HN 0.446 nan 8.240 nan 0.000 0.467 1008 Q N 2.291 122.049 119.800 -0.070 0.000 2.323 1008 Q HA 0.454 5.059 4.340 0.441 0.000 0.271 1008 Q C -2.790 173.152 176.000 -0.097 0.000 1.048 1008 Q CA -2.157 53.581 55.803 -0.108 0.000 0.792 1008 Q CB 2.286 30.944 28.738 -0.134 0.000 1.280 1008 Q HN 0.498 nan 8.270 nan 0.000 0.441 1009 P HA -0.078 nan 4.420 nan 0.000 0.263 1009 P C -0.448 176.760 177.300 -0.154 0.000 1.345 1009 P CA 0.542 63.573 63.100 -0.115 0.000 1.119 1009 P CB 0.601 32.245 31.700 -0.095 0.000 1.363 1010 E N 1.972 122.093 120.200 -0.133 0.000 2.431 1010 E HA 0.083 4.698 4.350 0.441 0.000 0.200 1010 E C -0.396 175.820 176.600 -0.640 0.000 0.995 1010 E CA 0.128 56.300 56.400 -0.379 0.000 0.915 1010 E CB 0.223 29.635 29.700 -0.481 0.000 0.930 1010 E HN 0.305 nan 8.360 nan 0.000 0.496 1011 F N 0.873 120.748 119.950 -0.125 0.000 2.443 1011 F HA 0.449 5.240 4.527 0.440 0.000 0.369 1011 F C -0.116 175.588 175.800 -0.160 0.000 1.090 1011 F CA -0.967 56.970 58.000 -0.106 0.000 1.129 1011 F CB 1.290 40.232 39.000 -0.096 0.000 1.367 1011 F HN -0.123 nan 8.300 nan 0.000 0.465 1012 A N 3.469 126.227 122.820 -0.104 0.000 2.444 1012 A HA 0.319 4.904 4.320 0.441 0.000 0.273 1012 A C -0.729 176.872 177.584 0.029 0.000 1.136 1012 A CA -0.178 51.693 52.037 -0.276 0.000 0.799 1012 A CB -0.293 18.271 19.000 -0.727 0.000 1.081 1012 A HN 0.614 nan 8.150 nan 0.000 0.509 1013 F N 3.335 123.236 119.950 -0.082 0.000 2.445 1013 F HA 0.429 5.221 4.527 0.441 0.000 0.359 1013 F C -0.172 175.534 175.800 -0.158 0.000 1.101 1013 F CA -0.141 57.786 58.000 -0.122 0.000 1.177 1013 F CB 0.518 39.382 39.000 -0.227 0.000 1.110 1013 F HN 0.679 nan 8.300 nan 0.000 0.522 1014 W N 8.749 129.496 121.300 -0.922 0.000 2.329 1014 W HA 0.453 5.378 4.660 0.441 0.000 0.312 1014 W C -1.792 174.289 176.519 -0.730 0.000 1.054 1014 W CA -1.064 55.749 57.345 -0.887 0.000 1.245 1014 W CB 0.676 29.607 29.460 -0.881 0.000 1.255 1014 W HN 0.378 nan 8.180 nan 0.000 0.436 1015 F N 5.336 124.628 119.950 -1.097 0.000 2.397 1015 F HA 0.413 5.205 4.527 0.442 0.000 0.331 1015 F C 1.048 175.940 175.800 -1.514 0.000 1.090 1015 F CA -1.155 56.300 58.000 -0.907 0.000 1.065 1015 F CB 1.100 39.638 39.000 -0.771 0.000 1.184 1015 F HN 0.211 nan 8.300 nan 0.000 0.499 1016 R N 2.919 123.016 120.500 -0.672 0.000 2.491 1016 R HA 0.066 4.671 4.340 0.441 0.000 0.283 1016 R C -0.479 175.645 176.300 -0.293 0.000 1.072 1016 R CA 0.111 55.833 56.100 -0.629 0.000 1.048 1016 R CB 0.216 30.471 30.300 -0.075 0.000 0.983 1016 R HN 0.805 nan 8.270 nan 0.000 0.450 1017 D N 1.905 122.175 120.400 -0.217 0.000 3.041 1017 D HA -0.227 4.678 4.640 0.441 0.000 0.220 1017 D C -0.158 176.092 176.300 -0.083 0.000 1.157 1017 D CA 1.437 55.392 54.000 -0.074 0.000 0.876 1017 D CB -1.246 39.545 40.800 -0.015 0.000 1.107 1017 D HN 0.647 nan 8.370 nan 0.000 0.422 1018 A N -1.632 121.054 122.820 -0.224 0.000 2.726 1018 A HA 0.572 5.157 4.320 0.441 0.000 0.192 1018 A C 1.575 178.990 177.584 -0.281 0.000 1.412 1018 A CA 1.166 53.099 52.037 -0.172 0.000 1.073 1018 A CB 0.134 19.054 19.000 -0.133 0.000 1.331 1018 A HN 1.169 nan 8.150 nan 0.000 0.537 1019 G N 0.469 108.921 108.800 -0.580 0.000 2.634 1019 G HA2 -0.351 3.874 3.960 0.441 0.000 0.309 1019 G HA3 -0.351 3.874 3.960 0.441 0.000 0.309 1019 G C 0.401 174.910 174.900 -0.650 0.000 1.265 1019 G CA 1.132 45.833 45.100 -0.666 0.000 0.998 1019 G HN 0.763 nan 8.290 nan 0.000 0.551 1020 F N 2.626 122.566 119.950 -0.016 0.000 2.641 1020 F HA 0.389 5.181 4.527 0.441 0.000 0.302 1020 F C 2.512 178.304 175.800 -0.014 0.000 1.098 1020 F CA 0.609 58.585 58.000 -0.040 0.000 1.318 1020 F CB -0.019 38.937 39.000 -0.074 0.000 1.035 1020 F HN 0.584 nan 8.300 nan 0.000 0.551 1021 G N 0.699 109.565 108.800 0.110 0.000 2.550 1021 G HA2 -0.284 3.941 3.960 0.441 0.000 0.222 1021 G HA3 -0.284 3.941 3.960 0.441 0.000 0.222 1021 G C 1.751 176.729 174.900 0.130 0.000 1.113 1021 G CA 1.577 46.729 45.100 0.088 0.000 0.748 1021 G HN 0.292 nan 8.290 nan 0.000 0.585 1022 V N 0.771 120.751 119.914 0.110 0.000 2.490 1022 V HA -0.037 4.348 4.120 0.441 0.000 0.250 1022 V C 1.406 177.619 176.094 0.199 0.000 1.061 1022 V CA 1.327 63.729 62.300 0.170 0.000 1.064 1022 V CB -0.428 31.454 31.823 0.099 0.000 0.670 1022 V HN 0.534 nan 8.190 nan 0.000 0.461 1023 E N 1.338 121.642 120.200 0.174 0.000 2.415 1023 E HA -0.047 4.568 4.350 0.441 0.000 0.263 1023 E C 0.706 177.456 176.600 0.251 0.000 0.995 1023 E CA 0.671 57.179 56.400 0.181 0.000 0.915 1023 E CB -0.702 29.061 29.700 0.105 0.000 0.951 1023 E HN 0.417 nan 8.360 nan 0.000 0.449 1024 N N 2.824 121.722 118.700 0.330 0.000 2.776 1024 N HA -0.311 4.694 4.740 0.441 0.000 0.250 1024 N C -0.836 174.743 175.510 0.115 0.000 1.112 1024 N CA 0.795 54.005 53.050 0.266 0.000 0.733 1024 N CB -0.627 38.049 38.487 0.315 0.000 1.097 1024 N HN 0.668 nan 8.380 nan 0.000 0.558 1025 Y N -1.173 119.111 120.300 -0.027 0.000 3.042 1025 Y HA 0.331 5.145 4.550 0.441 0.000 0.230 1025 Y C 1.000 176.890 175.900 -0.017 0.000 1.107 1025 Y CA 2.150 60.215 58.100 -0.059 0.000 1.346 1025 Y CB 0.416 38.872 38.460 -0.007 0.000 1.421 1025 Y HN 0.289 nan 8.280 nan 0.000 0.438 1026 G N 0.895 109.681 108.800 -0.024 0.000 2.548 1026 G HA2 -0.033 4.191 3.960 0.441 0.000 0.208 1026 G HA3 -0.033 4.191 3.960 0.441 0.000 0.208 1026 G C -1.654 173.263 174.900 0.027 0.000 1.308 1026 G CA -0.531 44.550 45.100 -0.032 0.000 0.924 1026 G HN 0.642 nan 8.290 nan 0.000 0.540 1027 V N 1.082 121.015 119.914 0.031 0.000 2.540 1027 V HA 0.523 4.907 4.120 0.441 0.000 0.302 1027 V C -0.652 175.446 176.094 0.008 0.000 1.035 1027 V CA -0.866 61.497 62.300 0.105 0.000 0.873 1027 V CB 1.807 33.730 31.823 0.167 0.000 0.992 1027 V HN 0.688 nan 8.190 nan 0.000 0.428 1028 D N 6.213 126.638 120.400 0.042 0.000 2.264 1028 D HA 0.336 5.240 4.640 0.441 0.000 0.250 1028 D C -2.301 173.997 176.300 -0.003 0.000 1.113 1028 D CA -1.013 52.993 54.000 0.010 0.000 0.871 1028 D CB 2.045 42.886 40.800 0.068 0.000 1.167 1028 D HN 0.329 nan 8.370 nan 0.000 0.447 1029 P HA 0.143 nan 4.420 nan 0.000 0.282 1029 P C 0.245 177.536 177.300 -0.016 0.000 1.249 1029 P CA -0.421 62.672 63.100 -0.013 0.000 0.806 1029 P CB 1.561 33.247 31.700 -0.023 0.000 0.984 1030 D N 0.497 120.896 120.400 -0.003 0.000 2.158 1030 D HA -0.071 4.834 4.640 0.441 0.000 0.197 1030 D C 0.458 176.749 176.300 -0.014 0.000 0.995 1030 D CA 1.620 55.619 54.000 -0.002 0.000 0.846 1030 D CB 0.126 40.940 40.800 0.025 0.000 0.941 1030 D HN 0.146 nan 8.370 nan 0.000 0.456 1031 V N 1.135 121.027 119.914 -0.037 0.000 2.443 1031 V HA 0.133 4.518 4.120 0.441 0.000 0.293 1031 V C -0.019 175.973 176.094 -0.170 0.000 1.021 1031 V CA -0.859 61.372 62.300 -0.115 0.000 0.848 1031 V CB 2.246 33.963 31.823 -0.177 0.000 0.998 1031 V HN -0.057 nan 8.190 nan 0.000 0.424 1032 E N 4.086 124.202 120.200 -0.141 0.000 2.313 1032 E HA 0.513 5.128 4.350 0.441 0.000 0.276 1032 E C -1.415 175.081 176.600 -0.174 0.000 1.031 1032 E CA -0.426 55.901 56.400 -0.122 0.000 0.857 1032 E CB 1.017 30.675 29.700 -0.070 0.000 1.040 1032 E HN 0.566 nan 8.360 nan 0.000 0.408 1033 I N 4.849 125.330 120.570 -0.149 0.000 2.531 1033 I HA 0.105 4.540 4.170 0.441 0.000 0.283 1033 I C -0.219 175.862 176.117 -0.060 0.000 1.083 1033 I CA -0.442 60.769 61.300 -0.149 0.000 1.071 1033 I CB 1.558 39.422 38.000 -0.226 0.000 1.210 1033 I HN 0.468 nan 8.210 nan 0.000 0.450 1034 E N 3.449 123.647 120.200 -0.002 0.000 2.391 1034 E HA 0.104 4.719 4.350 0.441 0.000 0.255 1034 E C -1.034 175.576 176.600 0.015 0.000 1.187 1034 E CA -0.109 56.338 56.400 0.077 0.000 0.941 1034 E CB 1.033 30.865 29.700 0.219 0.000 1.010 1034 E HN 0.377 nan 8.360 nan 0.000 0.458 1035 Y N 0.160 120.383 120.300 -0.128 0.000 2.584 1035 Y HA 0.365 5.180 4.550 0.441 0.000 0.358 1035 Y C -0.273 175.379 175.900 -0.414 0.000 1.028 1035 Y CA -0.848 57.082 58.100 -0.284 0.000 1.148 1035 Y CB 0.165 38.486 38.460 -0.233 0.000 1.126 1035 Y HN 0.516 nan 8.280 nan 0.000 0.658 1036 A N 4.050 126.666 122.820 -0.341 0.000 2.429 1036 A HA 0.276 4.861 4.320 0.441 0.000 0.242 1036 A C -1.489 175.736 177.584 -0.597 0.000 1.088 1036 A CA -0.871 50.700 52.037 -0.778 0.000 0.784 1036 A CB 0.113 18.659 19.000 -0.756 0.000 1.038 1036 A HN 0.528 nan 8.150 nan 0.000 0.501 1037 P HA -0.165 nan 4.420 nan 0.000 0.219 1037 P C 0.675 177.788 177.300 -0.313 0.000 1.146 1037 P CA 2.033 64.781 63.100 -0.586 0.000 0.808 1037 P CB -0.174 30.727 31.700 -1.332 0.000 0.779 1038 H N -3.019 116.004 119.070 -0.077 0.000 2.502 1038 H HA 0.058 4.879 4.556 0.442 0.000 0.283 1038 H C 1.398 176.758 175.328 0.053 0.000 1.015 1038 H CA 0.749 56.862 56.048 0.109 0.000 1.298 1038 H CB -1.101 28.818 29.762 0.262 0.000 1.411 1038 H HN 0.048 nan 8.280 nan 0.000 0.556 1039 D N 0.530 120.787 120.400 -0.239 0.000 2.183 1039 D HA -0.126 4.779 4.640 0.441 0.000 0.203 1039 D C 1.279 177.523 176.300 -0.093 0.000 0.969 1039 D CA 1.010 54.889 54.000 -0.203 0.000 0.842 1039 D CB -0.145 40.394 40.800 -0.436 0.000 0.957 1039 D HN 0.486 nan 8.370 nan 0.000 0.484 1040 Y N 0.827 121.154 120.300 0.046 0.000 2.263 1040 Y HA -0.005 4.809 4.550 0.441 0.000 0.292 1040 Y C 2.477 178.377 175.900 0.001 0.000 1.130 1040 Y CA 0.363 58.487 58.100 0.039 0.000 1.179 1040 Y CB -0.193 38.202 38.460 -0.108 0.000 0.998 1040 Y HN -0.101 nan 8.280 nan 0.000 0.532 1041 L N -0.494 120.815 121.223 0.144 0.000 2.083 1041 L HA -0.221 4.384 4.340 0.441 0.000 0.209 1041 L C 2.445 179.374 176.870 0.099 0.000 1.083 1041 L CA 1.687 56.596 54.840 0.116 0.000 0.752 1041 L CB -0.656 41.492 42.059 0.148 0.000 0.899 1041 L HN 0.282 nan 8.230 nan 0.000 0.433 1042 S N -0.722 115.032 115.700 0.091 0.000 2.489 1042 S HA 0.058 4.793 4.470 0.441 0.000 0.228 1042 S C 1.554 176.176 174.600 0.036 0.000 0.995 1042 S CA 0.423 58.661 58.200 0.063 0.000 0.934 1042 S CB 0.079 63.314 63.200 0.059 0.000 0.771 1042 S HN 0.530 nan 8.310 nan 0.000 0.522 1043 G N 1.137 109.961 108.800 0.041 0.000 2.160 1043 G HA2 -0.273 3.952 3.960 0.441 0.000 0.244 1043 G HA3 -0.273 3.952 3.960 0.441 0.000 0.244 1043 G C -0.225 174.656 174.900 -0.032 0.000 1.022 1043 G CA 0.406 45.521 45.100 0.026 0.000 0.741 1043 G HN 0.764 nan 8.290 nan 0.000 0.508 1044 K N 0.168 120.528 120.400 -0.067 0.000 2.259 1044 K HA 0.467 5.052 4.320 0.441 0.000 0.252 1044 K C -1.337 175.113 176.600 -0.251 0.000 0.936 1044 K CA -0.925 55.279 56.287 -0.139 0.000 0.810 1044 K CB 1.148 33.580 32.500 -0.112 0.000 1.143 1044 K HN -0.013 nan 8.250 nan 0.000 0.427 1045 D N 5.747 125.988 120.400 -0.265 0.000 2.456 1045 D HA 0.150 5.055 4.640 0.441 0.000 0.219 1045 D C -1.578 174.489 176.300 -0.389 0.000 1.126 1045 D CA -2.355 51.435 54.000 -0.350 0.000 0.890 1045 D CB 1.500 42.228 40.800 -0.120 0.000 1.025 1045 D HN 0.329 nan 8.370 nan 0.000 0.511 1046 P HA -0.160 nan 4.420 nan 0.000 0.218 1046 P C 1.111 178.303 177.300 -0.180 0.000 1.149 1046 P CA 1.037 63.924 63.100 -0.355 0.000 0.817 1046 P CB 0.682 32.119 31.700 -0.438 0.000 0.785 1047 Q N -0.454 119.219 119.800 -0.212 0.000 2.049 1047 Q HA -0.047 4.558 4.340 0.441 0.000 0.198 1047 Q C 2.438 178.481 176.000 0.072 0.000 0.971 1047 Q CA 0.922 56.712 55.803 -0.022 0.000 0.833 1047 Q CB -0.512 28.243 28.738 0.029 0.000 0.896 1047 Q HN 0.210 nan 8.270 nan 0.000 0.434 1048 I N 0.793 121.394 120.570 0.052 0.000 2.315 1048 I HA -0.267 4.168 4.170 0.441 0.000 0.248 1048 I C 1.222 177.392 176.117 0.088 0.000 1.117 1048 I CA 1.110 62.456 61.300 0.077 0.000 1.404 1048 I CB 0.089 38.102 38.000 0.020 0.000 1.071 1048 I HN 0.178 nan 8.210 nan 0.000 0.419 1049 D N -0.150 120.295 120.400 0.075 0.000 2.117 1049 D HA -0.247 4.658 4.640 0.441 0.000 0.198 1049 D C 1.843 178.178 176.300 0.058 0.000 0.982 1049 D CA 1.312 55.359 54.000 0.079 0.000 0.828 1049 D CB -0.342 40.491 40.800 0.056 0.000 0.967 1049 D HN 0.425 nan 8.370 nan 0.000 0.464 1050 Y N 1.519 121.808 120.300 -0.019 0.000 2.145 1050 Y HA -0.218 4.597 4.550 0.441 0.000 0.286 1050 Y C 2.234 178.138 175.900 0.007 0.000 1.145 1050 Y CA 1.907 60.001 58.100 -0.010 0.000 1.148 1050 Y CB -0.391 38.060 38.460 -0.016 0.000 0.981 1050 Y HN -0.045 nan 8.280 nan 0.000 0.507 1051 A N 0.821 123.736 122.820 0.157 0.000 1.892 1051 A HA -0.228 4.357 4.320 0.441 0.000 0.218 1051 A C 2.176 179.755 177.584 -0.008 0.000 1.188 1051 A CA 2.194 54.291 52.037 0.100 0.000 0.631 1051 A CB -1.048 18.037 19.000 0.142 0.000 0.822 1051 A HN 0.518 nan 8.150 nan 0.000 0.447 1052 I N 0.439 120.997 120.570 -0.020 0.000 2.113 1052 I HA -0.222 4.213 4.170 0.441 0.000 0.238 1052 I C 2.007 178.062 176.117 -0.102 0.000 1.070 1052 I CA 1.893 63.157 61.300 -0.061 0.000 1.332 1052 I CB -1.838 36.107 38.000 -0.091 0.000 1.044 1052 I HN 0.293 nan 8.210 nan 0.000 0.402 1053 D N 1.327 121.643 120.400 -0.140 0.000 2.116 1053 D HA -0.160 4.745 4.640 0.441 0.000 0.193 1053 D C 2.265 178.434 176.300 -0.218 0.000 0.998 1053 D CA 1.780 55.677 54.000 -0.172 0.000 0.836 1053 D CB -0.286 40.401 40.800 -0.188 0.000 0.951 1053 D HN 0.348 nan 8.370 nan 0.000 0.449 1054 A N 0.676 123.286 122.820 -0.349 0.000 1.908 1054 A HA -0.156 4.429 4.320 0.441 0.000 0.218 1054 A C 2.407 179.911 177.584 -0.133 0.000 1.181 1054 A CA 1.077 52.919 52.037 -0.326 0.000 0.627 1054 A CB -0.839 17.907 19.000 -0.422 0.000 0.818 1054 A HN 0.232 nan 8.150 nan 0.000 0.445 1055 L N -0.806 120.368 121.223 -0.083 0.000 2.109 1055 L HA -0.122 4.483 4.340 0.441 0.000 0.207 1055 L C 2.448 179.301 176.870 -0.028 0.000 1.086 1055 L CA 0.960 55.786 54.840 -0.024 0.000 0.760 1055 L CB -0.361 41.701 42.059 0.006 0.000 0.910 1055 L HN 0.404 nan 8.230 nan 0.000 0.437 1056 I N -0.240 120.299 120.570 -0.051 0.000 2.226 1056 I HA -0.302 4.133 4.170 0.441 0.000 0.245 1056 I C 2.546 178.640 176.117 -0.038 0.000 1.100 1056 I CA 1.191 62.465 61.300 -0.043 0.000 1.374 1056 I CB -0.170 37.794 38.000 -0.059 0.000 1.057 1056 I HN 0.250 nan 8.210 nan 0.000 0.413 1057 E N 1.474 121.641 120.200 -0.055 0.000 2.077 1057 E HA -0.241 4.374 4.350 0.441 0.000 0.193 1057 E C 1.910 178.496 176.600 -0.024 0.000 0.989 1057 E CA 1.549 57.923 56.400 -0.044 0.000 0.800 1057 E CB -0.102 29.562 29.700 -0.060 0.000 0.746 1057 E HN 0.441 nan 8.360 nan 0.000 0.452 1058 E N -0.893 119.296 120.200 -0.019 0.000 2.347 1058 E HA -0.086 4.529 4.350 0.441 0.000 0.196 1058 E C 0.234 176.838 176.600 0.007 0.000 1.008 1058 E CA 0.154 56.553 56.400 -0.001 0.000 0.852 1058 E CB 0.128 29.834 29.700 0.010 0.000 0.783 1058 E HN 0.162 nan 8.360 nan 0.000 0.505 1059 L N 0.826 122.051 121.223 0.003 0.000 2.928 1059 L HA 0.103 4.708 4.340 0.441 0.000 0.236 1059 L C 1.239 178.112 176.870 0.004 0.000 1.290 1059 L CA 0.404 55.250 54.840 0.011 0.000 1.099 1059 L CB 0.066 42.134 42.059 0.016 0.000 1.437 1059 L HN -0.077 nan 8.230 nan 0.000 0.493 1060 R N -1.034 119.466 120.500 0.001 0.000 2.221 1060 R HA 0.276 4.881 4.340 0.441 0.000 0.195 1060 R C 0.511 176.812 176.300 0.002 0.000 0.956 1060 R CA 0.008 56.107 56.100 -0.002 0.000 1.064 1060 R CB 0.033 30.330 30.300 -0.006 0.000 1.049 1060 R HN 0.389 nan 8.270 nan 0.000 0.534 1061 N N 0.000 118.703 118.700 0.005 0.000 1.763 1061 N HA 0.000 5.005 4.740 0.441 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