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 1mio_1_C DATA FIRST_RESID 2 DATA SEQUENCE SENLKDEILE KYIPKTKKTR SGHIVIKTEE TPNPEIVANT RTVPGIITAR DATA SEQUENCE GCAYAGCKGV VMGPIKDMVH ITHGPIGCSF YTWGGRRFKS KPENGTGLNF DATA SEQUENCE NEYVFSTDMQ ESDIVFGGVN KLKDAIHEAY EMFHPAAIGV YATCPVGLIG DATA SEQUENCE DDILAVAATA SKEIGIPVHA FSCEGYKGVS QSAGHHIANN TVMTDIIGKG DATA SEQUENCE NKEQKKYSIN VLGEYNIGGD AWEMDRVLEK IGYHVNATLT GDATYEKVQN DATA SEQUENCE ADKADLNLVQ CHRSINYIAE MMETKYGIPW IKCNFIGVDG IVETLRDMAK DATA SEQUENCE CFDDPELTKR TEEVIAEEIA AIQDDLDYFK EKLQGKTACL YVGGSRSHTY DATA SEQUENCE MNMLKSFGVD SLVAGFEFAH RDDYEGREVI PTIKIDADSK NIPEITVTPD DATA SEQUENCE EQKYRVVIPE DKVEELKKAG VPLSSYGGMM KEMHDGTILI DDMNHHDMEV DATA SEQUENCE VLEKLKPDMF FAGIKEKFVI QKGGVLSKQL HSYDYNGPYA GFRGVVNFGH DATA SEQUENCE ELVNGIYTPA WKMITPPWKK ASSES 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.587 174.600 -0.022 0.000 1.055 2 S CA 0.000 58.182 58.200 -0.029 0.000 1.107 2 S CB 0.000 63.180 63.200 -0.033 0.000 0.593 3 E N 0.284 120.474 120.200 -0.016 0.000 2.673 3 E HA 0.115 9.136 4.350 7.785 0.000 0.215 3 E C 0.812 177.410 176.600 -0.004 0.000 0.935 3 E CA 0.162 56.556 56.400 -0.010 0.000 1.341 3 E CB 0.095 29.789 29.700 -0.009 0.000 1.277 3 E HN 0.554 nan 8.360 nan 0.000 0.667 4 N N 0.638 119.334 118.700 -0.006 0.000 2.188 4 N HA -0.123 9.288 4.740 7.785 0.000 0.184 4 N C 1.867 177.378 175.510 0.002 0.000 1.018 4 N CA 0.975 54.023 53.050 -0.002 0.000 0.858 4 N CB -0.005 38.479 38.487 -0.006 0.000 0.989 4 N HN 0.095 nan 8.380 nan 0.000 0.426 5 L N 0.962 122.185 121.223 -0.000 0.000 2.217 5 L HA 0.064 9.075 4.340 7.785 0.000 0.211 5 L C 1.748 178.626 176.870 0.013 0.000 1.107 5 L CA 1.384 56.225 54.840 0.002 0.000 0.783 5 L CB -0.344 41.714 42.059 -0.002 0.000 0.919 5 L HN 0.085 nan 8.230 nan 0.000 0.442 6 K N -0.379 120.031 120.400 0.016 0.000 2.160 6 K HA -0.183 8.807 4.320 7.785 0.000 0.206 6 K C 1.500 178.129 176.600 0.048 0.000 1.047 6 K CA 1.602 57.908 56.287 0.031 0.000 0.930 6 K CB -0.263 32.249 32.500 0.021 0.000 0.720 6 K HN 0.453 nan 8.250 nan 0.000 0.450 7 D N 0.650 121.071 120.400 0.035 0.000 2.194 7 D HA -0.099 9.211 4.640 7.785 0.000 0.204 7 D C 1.776 178.103 176.300 0.046 0.000 0.964 7 D CA 0.825 54.849 54.000 0.040 0.000 0.846 7 D CB 0.059 40.873 40.800 0.024 0.000 0.962 7 D HN 0.269 nan 8.370 nan 0.000 0.490 8 E N 0.692 120.912 120.200 0.033 0.000 2.072 8 E HA -0.077 8.944 4.350 7.785 0.000 0.191 8 E C 2.470 179.096 176.600 0.044 0.000 0.985 8 E CA 0.480 56.895 56.400 0.026 0.000 0.801 8 E CB 0.060 29.763 29.700 0.004 0.000 0.750 8 E HN 0.370 nan 8.360 nan 0.000 0.452 9 I N 1.082 121.684 120.570 0.053 0.000 2.162 9 I HA -0.238 8.602 4.170 7.785 0.000 0.238 9 I C 2.500 178.765 176.117 0.246 0.000 1.076 9 I CA 0.937 62.292 61.300 0.091 0.000 1.353 9 I CB -0.302 37.739 38.000 0.068 0.000 1.063 9 I HN 0.010 nan 8.210 nan 0.000 0.408 10 L N 0.527 121.902 121.223 0.253 0.000 2.362 10 L HA -0.174 8.837 4.340 7.785 0.000 0.219 10 L C 2.401 179.416 176.870 0.241 0.000 1.134 10 L CA 0.820 55.871 54.840 0.352 0.000 0.807 10 L CB -0.529 41.643 42.059 0.187 0.000 0.927 10 L HN 0.306 nan 8.230 nan 0.000 0.447 11 E N 0.407 120.685 120.200 0.131 0.000 2.086 11 E HA -0.281 8.740 4.350 7.785 0.000 0.200 11 E C 2.162 178.786 176.600 0.040 0.000 1.012 11 E CA 1.418 57.860 56.400 0.071 0.000 0.812 11 E CB 0.128 29.856 29.700 0.047 0.000 0.743 11 E HN 0.160 nan 8.360 nan 0.000 0.453 12 K N -0.335 120.054 120.400 -0.019 0.000 2.296 12 K HA -0.031 8.960 4.320 7.785 0.000 0.200 12 K C -0.224 176.287 176.600 -0.149 0.000 1.048 12 K CA 0.201 56.407 56.287 -0.135 0.000 0.966 12 K CB 0.079 32.421 32.500 -0.264 0.000 0.754 12 K HN 0.135 nan 8.250 nan 0.000 0.466 13 Y N 1.208 121.440 120.300 -0.113 0.000 2.397 13 Y HA 0.061 9.752 4.550 8.568 0.000 0.335 13 Y C 0.962 176.823 175.900 -0.065 0.000 1.213 13 Y CA -0.732 57.304 58.100 -0.108 0.000 1.391 13 Y CB 0.182 38.596 38.460 -0.077 0.000 1.293 13 Y HN -0.039 nan 8.280 nan 0.000 0.557 14 I N 2.649 123.299 120.570 0.134 0.000 2.575 14 I HA 0.207 9.048 4.170 7.785 0.000 0.285 14 I C -1.694 174.450 176.117 0.046 0.000 1.085 14 I CA -1.900 59.437 61.300 0.061 0.000 1.403 14 I CB 0.757 38.778 38.000 0.035 0.000 1.409 14 I HN 0.402 nan 8.210 nan 0.000 0.557 15 P HA -0.238 nan 4.420 nan 0.000 0.218 15 P C 1.229 178.512 177.300 -0.028 0.000 1.148 15 P CA 1.488 64.588 63.100 0.000 0.000 0.822 15 P CB 0.146 31.847 31.700 0.002 0.000 0.784 16 K N 0.362 120.747 120.400 -0.025 0.000 2.097 16 K HA -0.060 8.930 4.320 7.785 0.000 0.205 16 K C 1.931 178.487 176.600 -0.073 0.000 1.050 16 K CA 1.962 58.227 56.287 -0.038 0.000 0.938 16 K CB -1.271 31.217 32.500 -0.020 0.000 0.718 16 K HN 0.051 nan 8.250 nan 0.000 0.442 17 T N 0.180 114.683 114.554 -0.085 0.000 2.851 17 T HA -0.013 9.007 4.350 7.785 0.000 0.262 17 T C 1.679 176.168 174.700 -0.353 0.000 1.043 17 T CA 1.010 63.004 62.100 -0.177 0.000 1.140 17 T CB -0.151 68.673 68.868 -0.074 0.000 0.872 17 T HN 0.251 nan 8.240 nan 0.000 0.446 18 K N 1.031 121.282 120.400 -0.248 0.000 2.074 18 K HA -0.168 8.823 4.320 7.785 0.000 0.209 18 K C 2.404 178.886 176.600 -0.196 0.000 1.048 18 K CA 1.107 57.251 56.287 -0.238 0.000 0.926 18 K CB 0.033 32.508 32.500 -0.043 0.000 0.713 18 K HN -0.017 nan 8.250 nan 0.000 0.444 19 K N 0.190 120.510 120.400 -0.135 0.000 2.001 19 K HA -0.091 8.900 4.320 7.785 0.000 0.208 19 K C 2.177 178.703 176.600 -0.124 0.000 1.048 19 K CA 2.082 58.310 56.287 -0.099 0.000 0.932 19 K CB -0.622 31.840 32.500 -0.063 0.000 0.715 19 K HN 0.396 nan 8.250 nan 0.000 0.437 20 T N 0.486 114.948 114.554 -0.154 0.000 2.684 20 T HA -0.117 8.904 4.350 7.785 0.000 0.267 20 T C 2.018 176.545 174.700 -0.288 0.000 1.036 20 T CA 0.745 62.743 62.100 -0.169 0.000 1.148 20 T CB -0.194 68.573 68.868 -0.167 0.000 0.863 20 T HN 0.051 nan 8.240 nan 0.000 0.436 21 R N 1.144 121.403 120.500 -0.402 0.000 2.083 21 R HA -0.020 8.990 4.340 7.785 0.000 0.237 21 R C 2.984 179.118 176.300 -0.278 0.000 1.137 21 R CA 1.432 57.237 56.100 -0.491 0.000 0.951 21 R CB -1.524 28.357 30.300 -0.698 0.000 0.851 21 R HN 0.534 nan 8.270 nan 0.000 0.434 22 S N -0.103 115.485 115.700 -0.186 0.000 2.408 22 S HA -0.226 8.914 4.470 7.785 0.000 0.241 22 S C 1.988 176.587 174.600 -0.003 0.000 1.080 22 S CA 2.057 60.215 58.200 -0.071 0.000 1.109 22 S CB -0.603 62.561 63.200 -0.060 0.000 0.966 22 S HN 0.622 nan 8.310 nan 0.000 0.449 23 G N -0.621 108.208 108.800 0.048 0.000 2.509 23 G HA2 -0.102 8.529 3.960 7.785 0.000 0.218 23 G HA3 -0.102 8.529 3.960 7.785 0.000 0.218 23 G C 1.124 176.079 174.900 0.092 0.000 1.124 23 G CA 0.664 45.809 45.100 0.074 0.000 0.776 23 G HN 0.769 nan 8.290 nan 0.000 0.547 24 H N -0.735 118.292 119.070 -0.071 0.000 2.512 24 H HA 0.118 9.351 4.556 7.795 0.000 0.279 24 H C 0.072 175.355 175.328 -0.075 0.000 0.999 24 H CA -0.117 55.888 56.048 -0.072 0.000 1.283 24 H CB 0.593 30.338 29.762 -0.028 0.000 1.421 24 H HN 0.260 nan 8.280 nan 0.000 0.554 25 I N 1.787 122.392 120.570 0.059 0.000 2.297 25 I HA 0.086 8.927 4.170 7.785 0.000 0.291 25 I C -0.224 175.883 176.117 -0.017 0.000 1.033 25 I CA -0.021 61.288 61.300 0.016 0.000 1.253 25 I CB 1.515 39.533 38.000 0.030 0.000 1.396 25 I HN -0.185 nan 8.210 nan 0.000 0.476 26 V N 7.686 127.573 119.914 -0.047 0.000 2.555 26 V HA 0.531 9.322 4.120 7.785 0.000 0.302 26 V C -0.129 175.940 176.094 -0.042 0.000 1.038 26 V CA -0.637 61.630 62.300 -0.055 0.000 0.887 26 V CB 2.259 34.025 31.823 -0.095 0.000 0.991 26 V HN 0.470 nan 8.190 nan 0.000 0.434 27 I N 5.202 125.750 120.570 -0.036 0.000 2.354 27 I HA 0.444 9.285 4.170 7.785 0.000 0.292 27 I C 0.027 176.119 176.117 -0.042 0.000 0.989 27 I CA -0.631 60.649 61.300 -0.034 0.000 1.188 27 I CB 1.578 39.560 38.000 -0.030 0.000 1.342 27 I HN 0.511 nan 8.210 nan 0.000 0.457 28 K N 5.287 125.659 120.400 -0.046 0.000 2.276 28 K HA 0.426 9.417 4.320 7.785 0.000 0.283 28 K C -0.834 175.728 176.600 -0.063 0.000 1.044 28 K CA -0.046 56.211 56.287 -0.050 0.000 0.944 28 K CB 0.781 33.254 32.500 -0.044 0.000 1.012 28 K HN 0.684 nan 8.250 nan 0.000 0.472 29 T N 2.107 116.629 114.554 -0.054 0.000 2.900 29 T HA 0.086 9.107 4.350 7.785 0.000 0.295 29 T C 0.595 175.267 174.700 -0.046 0.000 1.044 29 T CA -0.939 61.129 62.100 -0.054 0.000 0.995 29 T CB 1.670 70.511 68.868 -0.044 0.000 1.072 29 T HN 0.689 nan 8.240 nan 0.000 0.473 30 E N 1.067 121.240 120.200 -0.045 0.000 2.110 30 E HA -0.194 8.827 4.350 7.785 0.000 0.193 30 E C 1.603 178.184 176.600 -0.031 0.000 0.988 30 E CA 1.202 57.580 56.400 -0.037 0.000 0.804 30 E CB 0.032 29.712 29.700 -0.034 0.000 0.745 30 E HN 0.635 nan 8.360 nan 0.000 0.458 31 E N 0.285 120.466 120.200 -0.032 0.000 2.108 31 E HA -0.167 8.854 4.350 7.785 0.000 0.203 31 E C 0.786 177.369 176.600 -0.027 0.000 1.022 31 E CA 1.808 58.192 56.400 -0.028 0.000 0.823 31 E CB -0.220 29.463 29.700 -0.029 0.000 0.744 31 E HN 0.347 nan 8.360 nan 0.000 0.456 32 T N -1.619 112.916 114.554 -0.031 0.000 3.241 32 T HA 0.296 9.317 4.350 7.785 0.000 0.387 32 T C -1.972 172.708 174.700 -0.034 0.000 1.451 32 T CA -1.613 60.468 62.100 -0.031 0.000 1.363 32 T CB 1.619 70.467 68.868 -0.032 0.000 1.074 32 T HN -0.106 nan 8.240 nan 0.000 0.598 33 P HA 0.016 nan 4.420 nan 0.000 0.236 33 P C -0.052 177.227 177.300 -0.034 0.000 1.172 33 P CA 0.479 63.559 63.100 -0.032 0.000 0.759 33 P CB -0.137 31.546 31.700 -0.029 0.000 0.843 34 N N -0.834 117.844 118.700 -0.037 0.000 7.610 34 N HA 0.089 9.499 4.740 7.785 0.000 0.080 34 N C -3.262 172.223 175.510 -0.042 0.000 0.871 34 N CA -0.579 52.447 53.050 -0.040 0.000 1.298 34 N CB -0.145 38.317 38.487 -0.041 0.000 1.206 34 N HN -0.189 nan 8.380 nan 0.000 1.331 35 P HA 0.549 nan 4.420 nan 0.000 0.341 35 P C -1.143 176.119 177.300 -0.062 0.000 1.255 35 P CA -0.406 62.663 63.100 -0.050 0.000 0.790 35 P CB 0.856 32.526 31.700 -0.050 0.000 1.437 36 E N -0.402 119.757 120.200 -0.068 0.000 2.171 36 E HA 0.593 9.613 4.350 7.785 0.000 0.271 36 E C -0.689 175.838 176.600 -0.122 0.000 0.916 36 E CA -0.716 55.633 56.400 -0.085 0.000 0.774 36 E CB 2.013 31.675 29.700 -0.064 0.000 1.128 36 E HN 0.283 nan 8.360 nan 0.000 0.403 37 I N 1.827 122.279 120.570 -0.196 0.000 2.822 37 I HA 0.350 9.191 4.170 7.785 0.000 0.312 37 I C -1.113 174.848 176.117 -0.259 0.000 1.011 37 I CA -1.177 59.951 61.300 -0.286 0.000 1.105 37 I CB 1.655 39.311 38.000 -0.574 0.000 1.291 37 I HN 0.266 nan 8.210 nan 0.000 0.474 38 V N 5.953 125.699 119.914 -0.280 0.000 2.326 38 V HA 0.661 9.452 4.120 7.785 0.000 0.281 38 V C 0.062 175.805 176.094 -0.584 0.000 1.015 38 V CA -0.412 61.711 62.300 -0.296 0.000 0.823 38 V CB 0.683 32.433 31.823 -0.122 0.000 1.009 38 V HN 0.762 nan 8.190 nan 0.000 0.436 39 A N 3.504 126.124 122.820 -0.333 0.000 2.330 39 A HA 0.718 9.708 4.320 7.785 0.000 0.329 39 A C 0.571 178.095 177.584 -0.100 0.000 1.135 39 A CA -0.639 51.283 52.037 -0.191 0.000 0.817 39 A CB 0.665 19.700 19.000 0.059 0.000 1.269 39 A HN 0.996 nan 8.150 nan 0.000 0.469 40 N N -0.069 118.625 118.700 -0.010 0.000 2.708 40 N HA -0.141 9.270 4.740 7.785 0.000 0.255 40 N C -0.260 175.245 175.510 -0.008 0.000 1.046 40 N CA 0.868 53.909 53.050 -0.014 0.000 0.715 40 N CB -0.542 37.831 38.487 -0.190 0.000 0.895 40 N HN 0.892 nan 8.380 nan 0.000 0.545 41 T N -0.627 113.964 114.554 0.062 0.000 2.858 41 T HA 0.531 9.552 4.350 7.785 0.000 0.285 41 T C 0.145 174.919 174.700 0.122 0.000 1.052 41 T CA -1.008 61.146 62.100 0.090 0.000 1.009 41 T CB 1.008 69.949 68.868 0.122 0.000 1.241 41 T HN 0.163 nan 8.240 nan 0.000 0.542 42 R N 1.348 121.910 120.500 0.104 0.000 2.644 42 R HA 0.254 9.265 4.340 7.785 0.000 0.265 42 R C 0.393 176.766 176.300 0.121 0.000 0.985 42 R CA 0.381 56.541 56.100 0.100 0.000 1.097 42 R CB -0.429 29.916 30.300 0.073 0.000 0.931 42 R HN 0.617 nan 8.270 nan 0.000 0.419 43 T N 2.071 116.695 114.554 0.117 0.000 2.910 43 T HA 0.275 9.296 4.350 7.785 0.000 0.293 43 T C -0.171 174.577 174.700 0.080 0.000 1.015 43 T CA -0.759 61.412 62.100 0.119 0.000 1.094 43 T CB 0.816 69.759 68.868 0.125 0.000 0.968 43 T HN 0.292 nan 8.240 nan 0.000 0.521 44 V N 3.484 123.436 119.914 0.064 0.000 2.508 44 V HA 0.249 9.040 4.120 7.785 0.000 0.281 44 V C -2.128 173.999 176.094 0.056 0.000 1.041 44 V CA -2.046 60.279 62.300 0.040 0.000 1.016 44 V CB -0.223 31.609 31.823 0.015 0.000 0.984 44 V HN 0.683 nan 8.190 nan 0.000 0.478 45 P HA 0.240 nan 4.420 nan 0.000 0.267 45 P C 1.136 178.467 177.300 0.050 0.000 1.200 45 P CA 1.533 64.661 63.100 0.047 0.000 0.772 45 P CB 0.733 32.454 31.700 0.036 0.000 0.855 46 G N 1.449 110.280 108.800 0.051 0.000 2.189 46 G HA2 -0.294 8.336 3.960 7.785 0.000 0.267 46 G HA3 -0.294 8.336 3.960 7.785 0.000 0.267 46 G C 0.300 175.240 174.900 0.067 0.000 0.975 46 G CA -0.126 45.004 45.100 0.050 0.000 0.644 46 G HN 0.501 nan 8.290 nan 0.000 0.537 47 I N 0.843 121.465 120.570 0.087 0.000 2.662 47 I HA 0.458 9.299 4.170 7.785 0.000 0.291 47 I C 0.850 177.037 176.117 0.118 0.000 1.046 47 I CA -0.803 60.569 61.300 0.120 0.000 1.361 47 I CB 0.906 38.992 38.000 0.143 0.000 1.429 47 I HN 0.119 nan 8.210 nan 0.000 0.558 48 I N 5.827 126.481 120.570 0.141 0.000 2.281 48 I HA 0.136 8.977 4.170 7.785 0.000 0.293 48 I C 0.372 176.592 176.117 0.173 0.000 1.085 48 I CA 0.037 61.422 61.300 0.142 0.000 1.257 48 I CB 0.466 38.556 38.000 0.150 0.000 1.430 48 I HN 0.527 nan 8.210 nan 0.000 0.489 49 T N 3.789 118.443 114.554 0.168 0.000 2.923 49 T HA 0.556 9.577 4.350 7.785 0.000 0.281 49 T C 0.984 175.813 174.700 0.215 0.000 0.995 49 T CA -0.088 62.139 62.100 0.212 0.000 0.985 49 T CB 1.743 70.736 68.868 0.208 0.000 1.114 49 T HN 0.606 nan 8.240 nan 0.000 0.548 50 A N 1.352 124.339 122.820 0.279 0.000 2.095 50 A HA 0.289 9.279 4.320 7.785 0.000 0.212 50 A C 1.321 179.005 177.584 0.167 0.000 1.162 50 A CA 0.210 52.387 52.037 0.233 0.000 0.753 50 A CB -0.274 18.903 19.000 0.295 0.000 0.840 50 A HN 0.765 nan 8.150 nan 0.000 0.468 51 R N -0.470 120.148 120.500 0.196 0.000 2.811 51 R HA 0.316 9.327 4.340 7.785 0.000 0.265 51 R C 0.756 177.113 176.300 0.095 0.000 1.026 51 R CA 0.787 56.991 56.100 0.173 0.000 1.142 51 R CB 0.211 30.640 30.300 0.216 0.000 1.027 51 R HN 0.281 nan 8.270 nan 0.000 0.465 52 G N 0.564 109.394 108.800 0.050 0.000 3.122 52 G HA2 0.432 9.062 3.960 7.785 0.000 0.180 52 G HA3 0.432 9.062 3.960 7.785 0.000 0.180 52 G C -0.894 174.005 174.900 -0.001 0.000 1.279 52 G CA -0.299 44.803 45.100 0.004 0.000 0.987 52 G HN 0.912 nan 8.290 nan 0.000 0.589 53 C N -2.407 116.882 119.300 -0.020 0.000 2.630 53 C HA 0.837 9.968 4.460 7.785 0.000 0.346 53 C C 1.961 176.925 174.990 -0.043 0.000 1.245 53 C CA 0.100 59.113 59.018 -0.009 0.000 1.804 53 C CB 1.205 28.955 27.740 0.017 0.000 2.279 53 C HN 1.071 nan 8.230 nan 0.000 0.498 54 A N 0.094 122.889 122.820 -0.042 0.000 1.902 54 A HA -0.133 8.857 4.320 7.785 0.000 0.217 54 A C 1.924 179.471 177.584 -0.062 0.000 1.181 54 A CA 2.026 54.019 52.037 -0.073 0.000 0.623 54 A CB -1.294 17.665 19.000 -0.069 0.000 0.818 54 A HN 1.244 nan 8.150 nan 0.000 0.443 55 Y N 0.822 121.043 120.300 -0.132 0.000 2.241 55 Y HA -0.194 9.026 4.550 7.783 0.000 0.286 55 Y C 2.495 178.291 175.900 -0.173 0.000 1.166 55 Y CA 1.341 59.370 58.100 -0.117 0.000 1.203 55 Y CB -0.377 38.044 38.460 -0.066 0.000 0.977 55 Y HN 0.315 nan 8.280 nan 0.000 0.529 56 A N -0.224 122.574 122.820 -0.037 0.000 2.019 56 A HA -0.053 8.938 4.320 7.785 0.000 0.219 56 A C 2.342 179.721 177.584 -0.341 0.000 1.164 56 A CA 1.510 53.450 52.037 -0.163 0.000 0.644 56 A CB -1.410 17.534 19.000 -0.094 0.000 0.805 56 A HN 0.579 nan 8.150 nan 0.000 0.449 57 G N -2.274 106.266 108.800 -0.432 0.000 2.777 57 G HA2 0.029 8.659 3.960 7.785 0.000 0.211 57 G HA3 0.029 8.659 3.960 7.785 0.000 0.211 57 G C 1.319 175.910 174.900 -0.514 0.000 1.149 57 G CA 0.970 45.679 45.100 -0.652 0.000 0.785 57 G HN 0.529 nan 8.290 nan 0.000 0.536 58 C N -0.827 118.211 119.300 -0.437 0.000 2.519 58 C HA 0.377 9.507 4.460 7.785 0.000 0.297 58 C C 2.454 177.082 174.990 -0.603 0.000 1.414 58 C CA 0.967 59.744 59.018 -0.403 0.000 1.893 58 C CB 0.172 27.770 27.740 -0.237 0.000 2.134 58 C HN 0.243 nan 8.230 nan 0.000 0.580 59 K N 0.883 120.772 120.400 -0.852 0.000 2.044 59 K HA 0.073 9.064 4.320 7.785 0.000 0.204 59 K C 1.935 178.042 176.600 -0.820 0.000 1.049 59 K CA 1.770 57.310 56.287 -1.244 0.000 0.945 59 K CB -1.006 30.515 32.500 -1.633 0.000 0.724 59 K HN 0.575 nan 8.250 nan 0.000 0.440 60 G N 0.939 109.347 108.800 -0.653 0.000 2.552 60 G HA2 -0.236 8.395 3.960 7.785 0.000 0.216 60 G HA3 -0.236 8.395 3.960 7.785 0.000 0.216 60 G C 1.493 176.184 174.900 -0.348 0.000 1.240 60 G CA 1.823 46.692 45.100 -0.385 0.000 0.796 60 G HN 0.299 nan 8.290 nan 0.000 0.568 61 V N -2.221 117.457 119.914 -0.394 0.000 2.949 61 V HA 0.216 9.006 4.120 7.785 0.000 0.245 61 V C 2.433 178.219 176.094 -0.515 0.000 1.086 61 V CA 1.289 63.318 62.300 -0.452 0.000 1.097 61 V CB 0.200 31.764 31.823 -0.431 0.000 0.762 61 V HN 0.130 nan 8.190 nan 0.000 0.470 62 V N -0.080 119.622 119.914 -0.354 0.000 2.492 62 V HA 0.055 8.846 4.120 7.785 0.000 0.241 62 V C 2.587 178.576 176.094 -0.176 0.000 1.041 62 V CA 1.908 64.133 62.300 -0.124 0.000 1.057 62 V CB 0.191 32.000 31.823 -0.022 0.000 0.711 62 V HN 0.362 nan 8.190 nan 0.000 0.468 63 M N 0.328 119.706 119.600 -0.370 0.000 2.248 63 M HA 0.128 9.279 4.480 7.785 0.000 0.265 63 M C 2.320 178.233 176.300 -0.645 0.000 1.079 63 M CA 1.584 56.610 55.300 -0.456 0.000 1.150 63 M CB -1.928 30.323 32.600 -0.581 0.000 1.366 63 M HN 0.365 nan 8.290 nan 0.000 0.433 64 G N 1.830 110.200 108.800 -0.717 0.000 2.599 64 G HA2 -0.255 8.376 3.960 7.785 0.000 0.219 64 G HA3 -0.255 8.376 3.960 7.785 0.000 0.219 64 G C -0.886 173.702 174.900 -0.520 0.000 1.193 64 G CA 0.933 45.677 45.100 -0.593 0.000 0.778 64 G HN 0.296 nan 8.290 nan 0.000 0.589 65 P HA -0.143 nan 4.420 nan 0.000 0.222 65 P C 0.737 177.995 177.300 -0.069 0.000 1.154 65 P CA 0.913 63.577 63.100 -0.727 0.000 0.874 65 P CB -0.141 31.251 31.700 -0.513 0.000 0.787 66 I N 0.075 120.703 120.570 0.097 0.000 2.581 66 I HA -0.061 8.780 4.170 7.785 0.000 0.285 66 I C 1.903 178.212 176.117 0.321 0.000 1.129 66 I CA 0.304 61.745 61.300 0.236 0.000 1.397 66 I CB 0.415 38.603 38.000 0.313 0.000 1.399 66 I HN -0.077 nan 8.210 nan 0.000 0.537 67 K N 4.851 125.404 120.400 0.256 0.000 2.217 67 K HA -0.125 8.866 4.320 7.785 0.000 0.202 67 K C 0.500 177.252 176.600 0.253 0.000 1.051 67 K CA 1.327 57.769 56.287 0.257 0.000 0.952 67 K CB 0.207 32.835 32.500 0.214 0.000 0.736 67 K HN 0.780 nan 8.250 nan 0.000 0.453 68 D N 0.002 120.546 120.400 0.239 0.000 2.559 68 D HA 0.117 9.427 4.640 7.785 0.000 0.234 68 D C -0.204 176.248 176.300 0.254 0.000 1.226 68 D CA -0.116 54.061 54.000 0.294 0.000 0.830 68 D CB 0.071 40.974 40.800 0.172 0.000 1.028 68 D HN 0.066 nan 8.370 nan 0.000 0.492 69 M N 0.560 120.189 119.600 0.048 0.000 2.294 69 M HA 0.333 9.484 4.480 7.785 0.000 0.335 69 M C -0.607 175.313 176.300 -0.632 0.000 1.079 69 M CA -1.113 54.015 55.300 -0.287 0.000 0.982 69 M CB 3.044 35.464 32.600 -0.300 0.000 1.651 69 M HN -0.266 nan 8.290 nan 0.000 0.437 70 V N 3.179 122.617 119.914 -0.793 0.000 2.521 70 V HA 0.007 8.798 4.120 7.785 0.000 0.286 70 V C -0.382 175.396 176.094 -0.525 0.000 1.034 70 V CA 0.167 61.866 62.300 -1.002 0.000 1.045 70 V CB -0.036 31.015 31.823 -1.287 0.000 0.974 70 V HN 0.695 nan 8.190 nan 0.000 0.480 71 H N 4.989 124.038 119.070 -0.034 0.000 2.623 71 H HA 0.522 9.749 4.556 7.785 0.000 0.299 71 H C -0.026 175.457 175.328 0.258 0.000 1.052 71 H CA -0.379 55.800 56.048 0.219 0.000 1.231 71 H CB 1.220 31.082 29.762 0.167 0.000 1.389 71 H HN 0.643 nan 8.280 nan 0.000 0.469 72 I N 2.650 123.429 120.570 0.349 0.000 2.412 72 I HA 0.318 9.159 4.170 7.785 0.000 0.296 72 I C -0.455 175.910 176.117 0.413 0.000 0.987 72 I CA -0.438 61.038 61.300 0.294 0.000 1.180 72 I CB 1.315 39.381 38.000 0.110 0.000 1.340 72 I HN 0.418 nan 8.210 nan 0.000 0.455 73 T N 5.652 120.424 114.554 0.363 0.000 2.780 73 T HA 0.181 9.202 4.350 7.785 0.000 0.294 73 T C -0.620 174.274 174.700 0.324 0.000 0.949 73 T CA 0.170 62.503 62.100 0.389 0.000 1.074 73 T CB -0.069 68.992 68.868 0.321 0.000 0.910 73 T HN 0.430 nan 8.240 nan 0.000 0.501 74 H N 1.707 120.886 119.070 0.183 0.000 2.597 74 H HA 0.632 9.859 4.556 7.785 0.000 0.303 74 H C 0.331 175.696 175.328 0.061 0.000 1.057 74 H CA 0.446 56.555 56.048 0.102 0.000 1.261 74 H CB -0.011 29.802 29.762 0.085 0.000 1.397 74 H HN 0.979 nan 8.280 nan 0.000 0.461 75 G N 4.031 112.724 108.800 -0.178 0.000 2.369 75 G HA2 0.029 8.659 3.960 7.785 0.000 0.293 75 G HA3 0.029 8.659 3.960 7.785 0.000 0.293 75 G C -3.027 171.827 174.900 -0.076 0.000 1.301 75 G CA -1.141 43.858 45.100 -0.167 0.000 0.913 75 G HN 0.429 nan 8.290 nan 0.000 0.540 76 P HA 0.280 nan 4.420 nan 0.000 0.272 76 P C 1.107 178.414 177.300 0.012 0.000 1.248 76 P CA -0.488 62.600 63.100 -0.020 0.000 0.799 76 P CB 0.615 32.302 31.700 -0.021 0.000 0.997 77 I N 0.589 121.173 120.570 0.022 0.000 2.315 77 I HA -0.082 8.758 4.170 7.785 0.000 0.248 77 I C 2.121 178.296 176.117 0.095 0.000 1.117 77 I CA 1.806 63.133 61.300 0.046 0.000 1.404 77 I CB -1.273 36.736 38.000 0.016 0.000 1.071 77 I HN 0.444 nan 8.210 nan 0.000 0.419 78 G N -0.831 108.037 108.800 0.113 0.000 2.470 78 G HA2 -0.245 8.385 3.960 7.785 0.000 0.220 78 G HA3 -0.245 8.385 3.960 7.785 0.000 0.220 78 G C 1.665 176.802 174.900 0.395 0.000 1.121 78 G CA 1.022 46.284 45.100 0.270 0.000 0.766 78 G HN 0.500 nan 8.290 nan 0.000 0.553 79 C N 0.984 120.403 119.300 0.198 0.000 2.450 79 C HA 0.015 9.146 4.460 7.785 0.000 0.279 79 C C 3.314 178.473 174.990 0.283 0.000 1.335 79 C CA 1.206 60.310 59.018 0.144 0.000 1.749 79 C CB -0.658 26.955 27.740 -0.212 0.000 1.963 79 C HN 0.510 nan 8.230 nan 0.000 0.501 80 S N 0.906 116.741 115.700 0.225 0.000 2.348 80 S HA -0.106 9.035 4.470 7.785 0.000 0.219 80 S C 1.589 176.300 174.600 0.185 0.000 1.033 80 S CA 0.859 59.170 58.200 0.185 0.000 0.974 80 S CB -0.851 62.409 63.200 0.099 0.000 0.868 80 S HN 0.534 nan 8.310 nan 0.000 0.459 81 F N 2.098 122.067 119.950 0.032 0.000 2.085 81 F HA -0.246 8.951 4.527 7.783 0.000 0.299 81 F C 1.812 177.614 175.800 0.002 0.000 1.096 81 F CA 1.500 59.502 58.000 0.003 0.000 1.227 81 F CB -0.514 38.344 39.000 -0.237 0.000 0.983 81 F HN 0.142 nan 8.300 nan 0.000 0.482 82 Y N -0.193 120.279 120.300 0.286 0.000 2.529 82 Y HA 0.017 9.239 4.550 7.787 0.000 0.290 82 Y C 2.135 178.090 175.900 0.092 0.000 1.177 82 Y CA 0.996 59.191 58.100 0.158 0.000 1.305 82 Y CB -0.902 37.690 38.460 0.221 0.000 1.047 82 Y HN 0.070 nan 8.280 nan 0.000 0.522 83 T N -3.669 111.011 114.554 0.210 0.000 3.060 83 T HA -0.076 8.944 4.350 7.785 0.000 0.249 83 T C 0.390 175.172 174.700 0.136 0.000 1.079 83 T CA -0.234 61.953 62.100 0.144 0.000 1.013 83 T CB -0.138 68.794 68.868 0.107 0.000 0.975 83 T HN 0.220 nan 8.240 nan 0.000 0.518 84 W N 3.573 124.788 121.300 -0.140 0.000 2.429 84 W HA 0.469 9.799 4.660 7.784 0.000 0.431 84 W C 1.182 177.578 176.519 -0.206 0.000 1.038 84 W CA -0.325 56.899 57.345 -0.201 0.000 1.635 84 W CB -1.576 27.681 29.460 -0.338 0.000 1.721 84 W HN 0.522 nan 8.180 nan 0.000 0.366 85 G N 2.952 111.798 108.800 0.077 0.000 2.189 85 G HA2 -0.369 8.261 3.960 7.785 0.000 0.267 85 G HA3 -0.369 8.261 3.960 7.785 0.000 0.267 85 G C 1.183 176.030 174.900 -0.089 0.000 0.975 85 G CA 0.574 45.622 45.100 -0.086 0.000 0.644 85 G HN 0.872 nan 8.290 nan 0.000 0.537 86 G N 0.115 108.896 108.800 -0.032 0.000 2.511 86 G HA2 -0.050 8.581 3.960 7.785 0.000 0.216 86 G HA3 -0.050 8.581 3.960 7.785 0.000 0.216 86 G C 0.914 175.824 174.900 0.017 0.000 1.218 86 G CA 1.095 46.201 45.100 0.010 0.000 0.788 86 G HN 0.715 nan 8.290 nan 0.000 0.560 87 R N 1.117 121.630 120.500 0.022 0.000 2.221 87 R HA 0.318 9.329 4.340 7.785 0.000 0.327 87 R C -0.024 176.233 176.300 -0.072 0.000 1.033 87 R CA -0.543 55.577 56.100 0.034 0.000 0.887 87 R CB 0.432 30.809 30.300 0.128 0.000 1.057 87 R HN 0.328 nan 8.270 nan 0.000 0.455 88 R N 4.679 125.122 120.500 -0.095 0.000 2.825 88 R HA 0.189 9.200 4.340 7.785 0.000 0.261 88 R C -0.998 175.204 176.300 -0.163 0.000 1.341 88 R CA -0.481 55.503 56.100 -0.192 0.000 1.353 88 R CB -0.246 30.003 30.300 -0.085 0.000 1.191 88 R HN 0.278 nan 8.270 nan 0.000 0.590 89 F N -0.571 119.357 119.950 -0.037 0.000 2.404 89 F HA 0.609 9.806 4.527 7.784 0.000 0.339 89 F C -0.113 175.660 175.800 -0.046 0.000 1.105 89 F CA -1.687 56.278 58.000 -0.059 0.000 1.087 89 F CB 0.968 39.958 39.000 -0.017 0.000 1.143 89 F HN -0.075 nan 8.300 nan 0.000 0.491 90 K N 2.346 122.725 120.400 -0.035 0.000 2.213 90 K HA 0.577 9.567 4.320 7.785 0.000 0.270 90 K C -0.943 175.685 176.600 0.047 0.000 1.002 90 K CA -0.368 55.891 56.287 -0.048 0.000 0.868 90 K CB 1.691 34.085 32.500 -0.176 0.000 1.093 90 K HN 0.809 nan 8.250 nan 0.000 0.454 91 S N 2.206 118.079 115.700 0.287 0.000 2.638 91 S HA 0.692 9.832 4.470 7.785 0.000 0.302 91 S C -1.230 173.630 174.600 0.434 0.000 1.096 91 S CA -1.131 57.318 58.200 0.416 0.000 0.953 91 S CB 1.471 64.853 63.200 0.304 0.000 1.107 91 S HN 0.528 nan 8.310 nan 0.000 0.503 92 K N -0.054 120.559 120.400 0.354 0.000 2.501 92 K HA 0.574 9.565 4.320 7.785 0.000 0.252 92 K C -3.366 173.301 176.600 0.111 0.000 0.934 92 K CA -2.071 54.305 56.287 0.148 0.000 0.797 92 K CB 1.511 34.002 32.500 -0.015 0.000 1.270 92 K HN 0.241 nan 8.250 nan 0.000 0.431 93 P HA -0.070 nan 4.420 nan 0.000 0.267 93 P C -0.702 176.623 177.300 0.042 0.000 1.200 93 P CA 0.048 63.172 63.100 0.040 0.000 0.772 93 P CB 0.566 32.270 31.700 0.006 0.000 0.855 94 E N 2.865 123.097 120.200 0.052 0.000 2.328 94 E HA -0.039 8.982 4.350 7.785 0.000 0.265 94 E C 0.750 177.369 176.600 0.032 0.000 1.057 94 E CA 0.366 56.799 56.400 0.054 0.000 0.916 94 E CB -0.563 29.177 29.700 0.068 0.000 0.993 94 E HN 0.569 nan 8.360 nan 0.000 0.446 95 N N 2.351 121.064 118.700 0.022 0.000 2.705 95 N HA -0.333 9.077 4.740 7.785 0.000 0.255 95 N C 0.830 176.341 175.510 0.002 0.000 1.008 95 N CA 0.396 53.451 53.050 0.008 0.000 0.742 95 N CB -1.546 36.952 38.487 0.018 0.000 0.906 95 N HN 0.746 nan 8.380 nan 0.000 0.541 96 G N -1.745 107.052 108.800 -0.005 0.000 2.377 96 G HA2 -0.412 8.218 3.960 7.785 0.000 0.250 96 G HA3 -0.412 8.218 3.960 7.785 0.000 0.250 96 G C 0.519 175.419 174.900 -0.001 0.000 1.039 96 G CA 1.231 46.326 45.100 -0.008 0.000 0.625 96 G HN 0.690 nan 8.290 nan 0.000 0.526 97 T N 0.273 114.830 114.554 0.005 0.000 2.920 97 T HA 0.686 9.706 4.350 7.785 0.000 0.292 97 T C 0.983 175.688 174.700 0.008 0.000 1.093 97 T CA 1.095 63.200 62.100 0.008 0.000 0.944 97 T CB 0.857 69.732 68.868 0.012 0.000 1.605 97 T HN 2.181 nan 8.240 nan 0.000 0.590 98 G N -0.287 108.519 108.800 0.009 0.000 2.814 98 G HA2 -0.098 8.533 3.960 7.785 0.000 0.677 98 G HA3 -0.098 8.533 3.960 7.785 0.000 0.677 98 G C -1.014 173.864 174.900 -0.036 0.000 1.429 98 G CA -0.727 44.377 45.100 0.007 0.000 0.868 98 G HN 0.689 nan 8.290 nan 0.000 0.553 99 L N 0.592 121.773 121.223 -0.070 0.000 2.375 99 L HA 0.792 9.803 4.340 7.785 0.000 0.268 99 L C 0.429 177.139 176.870 -0.267 0.000 1.058 99 L CA -1.034 53.653 54.840 -0.256 0.000 0.803 99 L CB 1.773 43.666 42.059 -0.275 0.000 1.212 99 L HN 0.833 nan 8.230 nan 0.000 0.451 100 N N 0.199 118.598 118.700 -0.501 0.000 2.600 100 N HA 0.273 9.684 4.740 7.785 0.000 0.272 100 N C -1.096 174.193 175.510 -0.367 0.000 1.095 100 N CA -0.456 52.451 53.050 -0.239 0.000 0.993 100 N CB 1.013 39.475 38.487 -0.042 0.000 1.603 100 N HN 0.402 nan 8.380 nan 0.000 0.526 101 F N 1.511 121.580 119.950 0.199 0.000 2.688 101 F HA 0.411 9.609 4.527 7.784 0.000 0.310 101 F C 1.590 177.569 175.800 0.300 0.000 1.098 101 F CA -0.377 57.779 58.000 0.261 0.000 1.228 101 F CB -0.053 39.031 39.000 0.139 0.000 1.042 101 F HN 0.519 nan 8.300 nan 0.000 0.557 102 N N 0.880 119.792 118.700 0.353 0.000 2.334 102 N HA -0.197 9.214 4.740 7.785 0.000 0.187 102 N C 1.120 176.736 175.510 0.177 0.000 1.016 102 N CA 1.294 54.502 53.050 0.262 0.000 0.879 102 N CB -0.068 38.505 38.487 0.144 0.000 0.965 102 N HN 0.486 nan 8.380 nan 0.000 0.438 103 E N -0.822 119.488 120.200 0.184 0.000 2.474 103 E HA 0.011 9.032 4.350 7.785 0.000 0.194 103 E C -0.501 176.089 176.600 -0.017 0.000 1.041 103 E CA 0.347 56.776 56.400 0.049 0.000 0.874 103 E CB 0.341 29.978 29.700 -0.104 0.000 0.914 103 E HN 0.352 nan 8.360 nan 0.000 0.498 104 Y N -0.230 120.001 120.300 -0.115 0.000 2.598 104 Y HA 0.429 9.649 4.550 7.784 0.000 0.340 104 Y C -0.114 175.316 175.900 -0.783 0.000 1.038 104 Y CA -1.680 56.087 58.100 -0.554 0.000 1.100 104 Y CB 1.505 39.429 38.460 -0.893 0.000 1.281 104 Y HN -0.281 nan 8.280 nan 0.000 0.488 105 V N -0.614 118.743 119.914 -0.928 0.000 2.577 105 V HA 0.691 9.481 4.120 7.785 0.000 0.303 105 V C -1.472 174.198 176.094 -0.707 0.000 1.042 105 V CA -1.110 60.777 62.300 -0.688 0.000 0.872 105 V CB 1.063 32.520 31.823 -0.609 0.000 0.998 105 V HN 0.542 nan 8.190 nan 0.000 0.423 106 F N 3.073 122.936 119.950 -0.146 0.000 2.469 106 F HA 0.886 10.083 4.527 7.784 0.000 0.332 106 F C 0.627 176.418 175.800 -0.016 0.000 1.103 106 F CA -0.230 57.704 58.000 -0.109 0.000 0.979 106 F CB 2.139 41.033 39.000 -0.176 0.000 1.137 106 F HN 0.841 nan 8.300 nan 0.000 0.463 107 S N -0.137 115.663 115.700 0.167 0.000 2.705 107 S HA 0.599 9.739 4.470 7.785 0.000 0.280 107 S C 0.014 174.699 174.600 0.141 0.000 1.174 107 S CA -0.107 58.178 58.200 0.143 0.000 0.823 107 S CB 1.417 64.670 63.200 0.089 0.000 1.162 107 S HN 0.699 nan 8.310 nan 0.000 0.487 108 T N -0.941 113.702 114.554 0.149 0.000 3.084 108 T HA 0.258 9.279 4.350 7.785 0.000 0.270 108 T C 0.040 174.802 174.700 0.102 0.000 1.008 108 T CA 0.497 62.689 62.100 0.153 0.000 0.900 108 T CB -0.540 68.503 68.868 0.292 0.000 1.084 108 T HN 0.768 nan 8.240 nan 0.000 0.538 109 D N 2.075 122.520 120.400 0.075 0.000 3.025 109 D HA -0.200 9.111 4.640 7.785 0.000 0.201 109 D C -0.069 176.249 176.300 0.031 0.000 1.267 109 D CA 0.490 54.518 54.000 0.046 0.000 0.736 109 D CB -1.161 39.667 40.800 0.046 0.000 0.883 109 D HN 0.515 nan 8.370 nan 0.000 0.388 110 M N 1.645 121.247 119.600 0.003 0.000 2.249 110 M HA 0.048 9.198 4.480 7.785 0.000 0.340 110 M C 0.823 177.121 176.300 -0.004 0.000 1.166 110 M CA 0.433 55.725 55.300 -0.013 0.000 1.115 110 M CB 0.850 33.406 32.600 -0.073 0.000 1.606 110 M HN 0.249 nan 8.290 nan 0.000 0.448 111 Q N 1.151 120.955 119.800 0.007 0.000 2.378 111 Q HA 0.255 9.266 4.340 7.785 0.000 0.276 111 Q C 0.439 176.442 176.000 0.005 0.000 1.083 111 Q CA -0.444 55.366 55.803 0.012 0.000 0.856 111 Q CB 1.364 30.120 28.738 0.030 0.000 1.383 111 Q HN 0.670 nan 8.270 nan 0.000 0.458 112 E N 0.389 120.590 120.200 0.002 0.000 2.085 112 E HA -0.160 8.860 4.350 7.785 0.000 0.194 112 E C 1.257 177.849 176.600 -0.013 0.000 0.994 112 E CA 1.651 58.041 56.400 -0.016 0.000 0.801 112 E CB 0.300 29.991 29.700 -0.015 0.000 0.743 112 E HN 0.560 nan 8.360 nan 0.000 0.453 113 S N 1.234 116.963 115.700 0.049 0.000 2.442 113 S HA -0.143 8.998 4.470 7.785 0.000 0.236 113 S C 1.164 175.850 174.600 0.143 0.000 1.007 113 S CA 1.195 59.480 58.200 0.140 0.000 0.965 113 S CB -0.147 63.197 63.200 0.239 0.000 0.773 113 S HN 0.294 nan 8.310 nan 0.000 0.504 114 D N 1.008 121.457 120.400 0.081 0.000 2.289 114 D HA 0.122 9.433 4.640 7.785 0.000 0.207 114 D C 1.583 177.895 176.300 0.020 0.000 0.966 114 D CA 0.299 54.346 54.000 0.077 0.000 0.868 114 D CB -0.092 40.739 40.800 0.053 0.000 0.943 114 D HN 0.295 nan 8.370 nan 0.000 0.514 115 I N 1.124 121.676 120.570 -0.030 0.000 2.716 115 I HA -0.110 8.730 4.170 7.785 0.000 0.259 115 I C 2.046 178.094 176.117 -0.114 0.000 1.172 115 I CA 0.668 61.931 61.300 -0.062 0.000 1.478 115 I CB 0.249 38.212 38.000 -0.062 0.000 1.104 115 I HN -0.094 nan 8.210 nan 0.000 0.439 116 V N -3.508 116.278 119.914 -0.214 0.000 3.085 116 V HA 0.143 8.934 4.120 7.785 0.000 0.245 116 V C 0.363 176.150 176.094 -0.511 0.000 1.114 116 V CA 0.303 62.337 62.300 -0.442 0.000 1.108 116 V CB -0.232 31.171 31.823 -0.699 0.000 0.798 116 V HN 0.093 nan 8.190 nan 0.000 0.471 117 F N 2.385 122.342 119.950 0.011 0.000 2.686 117 F HA 0.799 9.997 4.527 7.785 0.000 0.365 117 F C 1.170 176.985 175.800 0.024 0.000 1.196 117 F CA -1.038 56.971 58.000 0.015 0.000 1.198 117 F CB 0.397 39.406 39.000 0.014 0.000 1.454 117 F HN 0.138 nan 8.300 nan 0.000 0.539 118 G N 0.986 109.873 108.800 0.145 0.000 2.337 118 G HA2 0.146 8.776 3.960 7.785 0.000 0.265 118 G HA3 0.146 8.776 3.960 7.785 0.000 0.265 118 G C 0.897 175.884 174.900 0.144 0.000 0.745 118 G CA 0.017 45.186 45.100 0.115 0.000 1.005 118 G HN 0.955 nan 8.290 nan 0.000 0.323 119 G N 1.434 110.328 108.800 0.157 0.000 2.852 119 G HA2 0.329 8.959 3.960 7.785 0.000 0.280 119 G HA3 0.329 8.959 3.960 7.785 0.000 0.280 119 G C 1.080 176.106 174.900 0.210 0.000 0.731 119 G CA 0.177 45.390 45.100 0.188 0.000 2.037 119 G HN 1.104 nan 8.290 nan 0.000 0.560 120 V N 0.252 120.230 119.914 0.107 0.000 3.307 120 V HA 0.063 8.854 4.120 7.785 0.000 0.253 120 V C 2.097 178.179 176.094 -0.019 0.000 1.149 120 V CA 0.916 63.227 62.300 0.018 0.000 1.112 120 V CB -0.156 31.675 31.823 0.013 0.000 0.777 120 V HN 0.440 nan 8.190 nan 0.000 0.464 121 N N 1.206 119.911 118.700 0.009 0.000 2.376 121 N HA -0.058 9.352 4.740 7.785 0.000 0.177 121 N C 1.744 177.250 175.510 -0.007 0.000 1.024 121 N CA 1.081 54.126 53.050 -0.009 0.000 0.893 121 N CB -0.255 38.237 38.487 0.008 0.000 0.980 121 N HN 0.472 nan 8.380 nan 0.000 0.439 122 K N -0.380 120.037 120.400 0.029 0.000 2.360 122 K HA -0.073 8.918 4.320 7.785 0.000 0.201 122 K C 1.409 178.013 176.600 0.008 0.000 1.046 122 K CA 0.499 56.812 56.287 0.044 0.000 0.945 122 K CB 0.027 32.585 32.500 0.096 0.000 0.750 122 K HN 0.131 nan 8.250 nan 0.000 0.464 123 L N 0.895 122.077 121.223 -0.067 0.000 2.084 123 L HA -0.020 8.990 4.340 7.785 0.000 0.202 123 L C 2.038 178.799 176.870 -0.181 0.000 1.074 123 L CA 1.661 56.391 54.840 -0.183 0.000 0.757 123 L CB -0.536 41.286 42.059 -0.396 0.000 0.918 123 L HN -0.100 nan 8.230 nan 0.000 0.444 124 K N 0.186 120.475 120.400 -0.185 0.000 2.034 124 K HA -0.219 8.771 4.320 7.785 0.000 0.214 124 K C 1.722 178.136 176.600 -0.310 0.000 1.051 124 K CA 2.214 58.333 56.287 -0.281 0.000 0.931 124 K CB -0.433 31.966 32.500 -0.167 0.000 0.715 124 K HN 0.410 nan 8.250 nan 0.000 0.446 125 D N -0.156 120.180 120.400 -0.106 0.000 2.088 125 D HA -0.171 9.140 4.640 7.785 0.000 0.191 125 D C 1.875 178.164 176.300 -0.019 0.000 0.992 125 D CA 1.818 55.812 54.000 -0.010 0.000 0.831 125 D CB -0.783 40.030 40.800 0.022 0.000 0.973 125 D HN 0.341 nan 8.370 nan 0.000 0.447 126 A N 0.573 123.378 122.820 -0.025 0.000 2.032 126 A HA -0.173 8.818 4.320 7.785 0.000 0.221 126 A C 2.398 179.954 177.584 -0.047 0.000 1.165 126 A CA 1.010 53.042 52.037 -0.009 0.000 0.645 126 A CB -0.768 18.238 19.000 0.010 0.000 0.807 126 A HN 0.222 nan 8.150 nan 0.000 0.453 127 I N -1.625 118.875 120.570 -0.118 0.000 2.162 127 I HA -0.189 8.652 4.170 7.785 0.000 0.238 127 I C 2.450 178.533 176.117 -0.057 0.000 1.076 127 I CA 1.196 62.407 61.300 -0.149 0.000 1.353 127 I CB -0.505 37.339 38.000 -0.260 0.000 1.063 127 I HN 0.359 nan 8.210 nan 0.000 0.408 128 H N 1.038 120.093 119.070 -0.026 0.000 2.387 128 H HA -0.152 9.075 4.556 7.785 0.000 0.299 128 H C 2.120 177.468 175.328 0.034 0.000 1.099 128 H CA 1.281 57.337 56.048 0.014 0.000 1.315 128 H CB -0.391 29.370 29.762 -0.001 0.000 1.380 128 H HN 0.429 nan 8.280 nan 0.000 0.513 129 E N 0.327 120.592 120.200 0.107 0.000 2.038 129 E HA -0.147 8.874 4.350 7.785 0.000 0.195 129 E C 2.441 179.036 176.600 -0.008 0.000 1.000 129 E CA 0.969 57.390 56.400 0.034 0.000 0.803 129 E CB -0.099 29.622 29.700 0.036 0.000 0.750 129 E HN 0.423 nan 8.360 nan 0.000 0.448 130 A N 0.769 123.590 122.820 0.001 0.000 1.972 130 A HA -0.214 8.777 4.320 7.785 0.000 0.219 130 A C 2.026 179.583 177.584 -0.046 0.000 1.169 130 A CA 1.433 53.457 52.037 -0.021 0.000 0.635 130 A CB -0.667 18.201 19.000 -0.220 0.000 0.810 130 A HN 0.420 nan 8.150 nan 0.000 0.446 131 Y N 0.206 120.402 120.300 -0.173 0.000 2.263 131 Y HA -0.062 9.158 4.550 7.784 0.000 0.292 131 Y C 2.233 177.828 175.900 -0.508 0.000 1.130 131 Y CA 1.776 59.729 58.100 -0.245 0.000 1.179 131 Y CB 0.000 38.376 38.460 -0.140 0.000 0.998 131 Y HN 0.268 nan 8.280 nan 0.000 0.532 132 E N 0.061 119.953 120.200 -0.514 0.000 2.152 132 E HA -0.188 8.832 4.350 7.785 0.000 0.192 132 E C 2.175 178.402 176.600 -0.621 0.000 0.983 132 E CA 1.251 57.272 56.400 -0.631 0.000 0.818 132 E CB -0.234 29.349 29.700 -0.195 0.000 0.758 132 E HN 0.620 nan 8.360 nan 0.000 0.467 133 M N -0.757 118.531 119.600 -0.521 0.000 2.115 133 M HA -0.025 9.126 4.480 7.785 0.000 0.261 133 M C -0.188 175.712 176.300 -0.667 0.000 1.079 133 M CA 1.124 56.048 55.300 -0.626 0.000 1.143 133 M CB 0.253 32.371 32.600 -0.803 0.000 1.332 133 M HN -0.168 nan 8.290 nan 0.000 0.421 134 F N -0.377 119.409 119.950 -0.272 0.000 2.436 134 F HA 0.297 9.495 4.527 7.785 0.000 0.340 134 F C -0.668 174.976 175.800 -0.260 0.000 1.113 134 F CA -0.797 57.127 58.000 -0.127 0.000 1.022 134 F CB 0.751 39.647 39.000 -0.174 0.000 1.128 134 F HN 0.030 nan 8.300 nan 0.000 0.466 135 H N 2.938 121.990 119.070 -0.030 0.000 2.680 135 H HA 0.354 9.581 4.556 7.785 0.000 0.260 135 H C -2.313 173.013 175.328 -0.003 0.000 1.328 135 H CA -1.641 54.274 56.048 -0.222 0.000 1.269 135 H CB 0.304 29.899 29.762 -0.279 0.000 1.446 135 H HN 0.340 nan 8.280 nan 0.000 0.527 136 P HA 0.262 nan 4.420 nan 0.000 0.297 136 P C 0.585 177.920 177.300 0.058 0.000 1.307 136 P CA -0.601 62.566 63.100 0.111 0.000 0.773 136 P CB 1.081 32.714 31.700 -0.111 0.000 1.265 137 A N -0.531 122.293 122.820 0.007 0.000 1.872 137 A HA 0.380 9.370 4.320 7.785 0.000 0.214 137 A C 1.084 178.442 177.584 -0.375 0.000 1.187 137 A CA 1.919 53.897 52.037 -0.099 0.000 0.614 137 A CB -1.099 17.878 19.000 -0.039 0.000 0.826 137 A HN 0.723 nan 8.150 nan 0.000 0.442 138 A N -1.885 120.631 122.820 -0.506 0.000 2.583 138 A HA 0.727 9.717 4.320 7.785 0.000 0.289 138 A C -1.172 176.184 177.584 -0.380 0.000 1.151 138 A CA -0.521 51.164 52.037 -0.587 0.000 0.695 138 A CB 0.633 19.000 19.000 -1.056 0.000 1.290 138 A HN 0.245 nan 8.150 nan 0.000 0.419 139 I N 0.279 120.661 120.570 -0.312 0.000 2.509 139 I HA 0.575 9.416 4.170 7.785 0.000 0.293 139 I C 0.411 176.443 176.117 -0.142 0.000 1.020 139 I CA -0.628 60.527 61.300 -0.241 0.000 1.088 139 I CB 2.386 40.261 38.000 -0.208 0.000 1.267 139 I HN 0.766 nan 8.210 nan 0.000 0.430 140 G N 5.086 113.877 108.800 -0.016 0.000 2.487 140 G HA2 0.574 9.205 3.960 7.785 0.000 0.314 140 G HA3 0.574 9.205 3.960 7.785 0.000 0.314 140 G C -1.005 173.791 174.900 -0.174 0.000 1.267 140 G CA -0.347 44.763 45.100 0.017 0.000 0.937 140 G HN 0.311 nan 8.290 nan 0.000 0.481 141 V N 2.998 122.761 119.914 -0.253 0.000 2.407 141 V HA 0.375 9.166 4.120 7.785 0.000 0.278 141 V C -0.818 175.069 176.094 -0.344 0.000 1.037 141 V CA -0.431 61.759 62.300 -0.184 0.000 0.900 141 V CB 0.348 32.102 31.823 -0.114 0.000 0.983 141 V HN 0.621 nan 8.190 nan 0.000 0.459 142 Y N 2.593 123.026 120.300 0.221 0.000 2.393 142 Y HA 0.719 9.940 4.550 7.785 0.000 0.341 142 Y C 0.438 176.512 175.900 0.289 0.000 0.988 142 Y CA -0.718 57.532 58.100 0.251 0.000 1.078 142 Y CB 1.787 40.352 38.460 0.174 0.000 1.203 142 Y HN 0.671 nan 8.280 nan 0.000 0.453 143 A N 2.023 125.061 122.820 0.364 0.000 2.310 143 A HA 0.726 9.717 4.320 7.785 0.000 0.299 143 A C -0.159 177.526 177.584 0.169 0.000 1.147 143 A CA -0.339 51.844 52.037 0.244 0.000 0.818 143 A CB 0.542 19.634 19.000 0.155 0.000 1.096 143 A HN 0.703 nan 8.150 nan 0.000 0.495 144 T N 1.068 115.632 114.554 0.015 0.000 2.940 144 T HA 0.300 9.321 4.350 7.785 0.000 0.288 144 T C 1.405 176.063 174.700 -0.070 0.000 1.033 144 T CA -0.254 61.747 62.100 -0.165 0.000 1.033 144 T CB 1.018 69.744 68.868 -0.237 0.000 1.079 144 T HN 0.777 nan 8.240 nan 0.000 0.496 145 C N 2.797 122.068 119.300 -0.048 0.000 2.347 145 C HA -0.139 8.991 4.460 7.785 0.000 0.270 145 C C 0.152 175.235 174.990 0.155 0.000 1.145 145 C CA 1.206 60.295 59.018 0.119 0.000 1.802 145 C CB -1.726 26.096 27.740 0.137 0.000 2.084 145 C HN 0.769 nan 8.230 nan 0.000 0.446 146 P HA 0.005 nan 4.420 nan 0.000 0.229 146 P C 1.533 178.848 177.300 0.025 0.000 1.160 146 P CA 1.263 64.376 63.100 0.022 0.000 0.777 146 P CB -0.258 31.424 31.700 -0.031 0.000 0.814 147 V N 1.003 120.930 119.914 0.023 0.000 2.295 147 V HA -0.169 8.621 4.120 7.785 0.000 0.246 147 V C 2.904 179.055 176.094 0.095 0.000 1.049 147 V CA 2.482 64.814 62.300 0.053 0.000 1.024 147 V CB -1.901 29.980 31.823 0.097 0.000 0.648 147 V HN 0.166 nan 8.190 nan 0.000 0.447 148 G N 0.139 109.018 108.800 0.132 0.000 2.480 148 G HA2 -0.240 8.391 3.960 7.785 0.000 0.216 148 G HA3 -0.240 8.391 3.960 7.785 0.000 0.216 148 G C 1.578 176.554 174.900 0.126 0.000 1.200 148 G CA 1.305 46.505 45.100 0.167 0.000 0.782 148 G HN 0.461 nan 8.290 nan 0.000 0.554 149 L N 1.095 122.381 121.223 0.106 0.000 2.017 149 L HA -0.015 8.996 4.340 7.785 0.000 0.208 149 L C 2.760 179.640 176.870 0.017 0.000 1.073 149 L CA 1.194 56.048 54.840 0.023 0.000 0.745 149 L CB -0.561 41.482 42.059 -0.027 0.000 0.894 149 L HN 0.443 nan 8.230 nan 0.000 0.432 150 I N -2.139 118.444 120.570 0.021 0.000 3.334 150 I HA 0.145 8.986 4.170 7.785 0.000 0.282 150 I C 1.330 177.469 176.117 0.036 0.000 1.313 150 I CA 0.712 62.021 61.300 0.015 0.000 1.396 150 I CB -0.824 37.180 38.000 0.007 0.000 1.054 150 I HN 0.357 nan 8.210 nan 0.000 0.495 151 G N 1.223 110.050 108.800 0.046 0.000 2.143 151 G HA2 -0.261 8.370 3.960 7.785 0.000 0.249 151 G HA3 -0.261 8.370 3.960 7.785 0.000 0.249 151 G C -0.333 174.601 174.900 0.056 0.000 0.981 151 G CA 0.262 45.390 45.100 0.047 0.000 0.665 151 G HN 0.536 nan 8.290 nan 0.000 0.528 152 D N 0.893 121.339 120.400 0.076 0.000 2.401 152 D HA 0.382 9.692 4.640 7.785 0.000 0.254 152 D C 0.119 176.460 176.300 0.067 0.000 1.192 152 D CA 0.095 54.149 54.000 0.090 0.000 0.885 152 D CB 1.023 41.923 40.800 0.167 0.000 1.147 152 D HN 0.162 nan 8.370 nan 0.000 0.478 153 D N 2.246 122.668 120.400 0.036 0.000 2.522 153 D HA 0.065 9.376 4.640 7.785 0.000 0.218 153 D C 1.350 177.644 176.300 -0.009 0.000 1.149 153 D CA -0.477 53.531 54.000 0.013 0.000 0.981 153 D CB -0.136 40.664 40.800 0.001 0.000 1.041 153 D HN 0.384 nan 8.370 nan 0.000 0.518 154 I N 0.238 120.807 120.570 -0.002 0.000 2.850 154 I HA -0.108 8.733 4.170 7.785 0.000 0.266 154 I C 1.628 177.704 176.117 -0.068 0.000 1.257 154 I CA 0.721 61.994 61.300 -0.044 0.000 1.465 154 I CB -0.217 37.780 38.000 -0.005 0.000 1.091 154 I HN 0.222 nan 8.210 nan 0.000 0.467 155 L N 0.917 122.105 121.223 -0.058 0.000 2.095 155 L HA 0.079 9.090 4.340 7.785 0.000 0.204 155 L C 2.706 179.535 176.870 -0.068 0.000 1.080 155 L CA 1.703 56.498 54.840 -0.076 0.000 0.759 155 L CB -0.480 41.535 42.059 -0.072 0.000 0.914 155 L HN 0.334 nan 8.230 nan 0.000 0.439 156 A N -0.939 121.849 122.820 -0.053 0.000 1.897 156 A HA -0.121 8.869 4.320 7.785 0.000 0.215 156 A C 2.296 179.847 177.584 -0.056 0.000 1.181 156 A CA 1.644 53.653 52.037 -0.047 0.000 0.620 156 A CB -1.163 17.817 19.000 -0.033 0.000 0.821 156 A HN 0.362 nan 8.150 nan 0.000 0.443 157 V N -1.716 118.157 119.914 -0.068 0.000 2.287 157 V HA -0.195 8.596 4.120 7.785 0.000 0.248 157 V C 2.506 178.537 176.094 -0.104 0.000 1.053 157 V CA 2.282 64.527 62.300 -0.092 0.000 1.027 157 V CB -1.596 30.155 31.823 -0.121 0.000 0.646 157 V HN 0.544 nan 8.190 nan 0.000 0.447 158 A N 0.445 123.204 122.820 -0.102 0.000 2.019 158 A HA 0.104 9.095 4.320 7.785 0.000 0.219 158 A C 2.454 179.993 177.584 -0.074 0.000 1.164 158 A CA 2.311 54.290 52.037 -0.097 0.000 0.644 158 A CB -0.976 17.972 19.000 -0.086 0.000 0.805 158 A HN 1.095 nan 8.150 nan 0.000 0.449 159 A N -1.060 121.724 122.820 -0.061 0.000 1.929 159 A HA 0.015 9.005 4.320 7.785 0.000 0.216 159 A C 2.278 179.838 177.584 -0.039 0.000 1.176 159 A CA 2.021 54.032 52.037 -0.044 0.000 0.628 159 A CB -0.919 18.057 19.000 -0.040 0.000 0.816 159 A HN 0.426 nan 8.150 nan 0.000 0.444 160 T N 0.401 114.930 114.554 -0.042 0.000 2.732 160 T HA 0.060 9.081 4.350 7.785 0.000 0.261 160 T C 2.313 176.999 174.700 -0.023 0.000 1.040 160 T CA 1.423 63.507 62.100 -0.028 0.000 1.145 160 T CB -0.607 68.245 68.868 -0.027 0.000 0.866 160 T HN 0.561 nan 8.240 nan 0.000 0.427 161 A N 1.496 124.281 122.820 -0.057 0.000 1.884 161 A HA -0.210 8.781 4.320 7.785 0.000 0.219 161 A C 2.592 180.133 177.584 -0.071 0.000 1.197 161 A CA 2.446 54.434 52.037 -0.082 0.000 0.637 161 A CB -1.374 17.529 19.000 -0.161 0.000 0.827 161 A HN 0.427 nan 8.150 nan 0.000 0.450 162 S N -0.668 114.985 115.700 -0.078 0.000 2.374 162 S HA -0.210 8.931 4.470 7.785 0.000 0.227 162 S C 1.986 176.542 174.600 -0.073 0.000 1.037 162 S CA 2.026 60.178 58.200 -0.080 0.000 1.024 162 S CB -0.288 62.885 63.200 -0.046 0.000 0.861 162 S HN 0.665 nan 8.310 nan 0.000 0.456 163 K N 0.332 120.704 120.400 -0.047 0.000 2.167 163 K HA 0.034 9.025 4.320 7.785 0.000 0.203 163 K C 2.135 178.708 176.600 -0.044 0.000 1.052 163 K CA 1.106 57.370 56.287 -0.038 0.000 0.956 163 K CB -0.040 32.446 32.500 -0.023 0.000 0.735 163 K HN 0.479 nan 8.250 nan 0.000 0.451 164 E N 0.622 120.802 120.200 -0.032 0.000 2.051 164 E HA -0.099 8.922 4.350 7.785 0.000 0.189 164 E C 1.737 178.268 176.600 -0.115 0.000 0.979 164 E CA 0.669 57.040 56.400 -0.049 0.000 0.803 164 E CB 0.042 29.737 29.700 -0.008 0.000 0.761 164 E HN 0.076 nan 8.360 nan 0.000 0.451 165 I N 0.536 121.013 120.570 -0.154 0.000 2.761 165 I HA 0.021 8.862 4.170 7.785 0.000 0.261 165 I C 0.894 176.721 176.117 -0.484 0.000 1.198 165 I CA 0.711 61.766 61.300 -0.408 0.000 1.482 165 I CB -0.600 37.161 38.000 -0.398 0.000 1.100 165 I HN 0.164 nan 8.210 nan 0.000 0.445 166 G N 2.107 110.760 108.800 -0.244 0.000 2.342 166 G HA2 -0.211 8.419 3.960 7.785 0.000 0.267 166 G HA3 -0.211 8.419 3.960 7.785 0.000 0.267 166 G C -0.285 174.523 174.900 -0.152 0.000 0.922 166 G CA 0.584 45.596 45.100 -0.147 0.000 1.342 166 G HN 0.273 nan 8.290 nan 0.000 0.430 167 I N 1.955 122.435 120.570 -0.149 0.000 2.721 167 I HA 0.434 9.274 4.170 7.785 0.000 0.292 167 I C -2.571 173.464 176.117 -0.138 0.000 1.674 167 I CA -2.013 59.216 61.300 -0.119 0.000 0.993 167 I CB 2.047 39.966 38.000 -0.135 0.000 1.448 167 I HN 0.058 nan 8.210 nan 0.000 0.500 168 P HA 0.254 nan 4.420 nan 0.000 0.267 168 P C -1.193 175.942 177.300 -0.274 0.000 1.209 168 P CA -0.035 62.953 63.100 -0.188 0.000 0.763 168 P CB 0.384 31.941 31.700 -0.238 0.000 0.816 169 V N 5.510 125.331 119.914 -0.155 0.000 2.326 169 V HA 0.180 8.971 4.120 7.785 0.000 0.281 169 V C -0.199 175.891 176.094 -0.006 0.000 1.015 169 V CA -0.554 61.663 62.300 -0.139 0.000 0.823 169 V CB 0.419 32.168 31.823 -0.124 0.000 1.009 169 V HN 0.522 nan 8.190 nan 0.000 0.436 170 H N 3.551 122.586 119.070 -0.058 0.000 2.594 170 H HA 0.662 9.888 4.556 7.784 0.000 0.304 170 H C 0.370 175.595 175.328 -0.170 0.000 1.068 170 H CA -0.405 55.589 56.048 -0.089 0.000 1.308 170 H CB 1.571 31.367 29.762 0.056 0.000 1.409 170 H HN 0.738 nan 8.280 nan 0.000 0.460 171 A N 4.175 126.896 122.820 -0.165 0.000 2.328 171 A HA 0.549 9.540 4.320 7.785 0.000 0.284 171 A C -0.887 176.470 177.584 -0.379 0.000 1.160 171 A CA -0.330 51.591 52.037 -0.194 0.000 0.818 171 A CB -0.038 18.872 19.000 -0.149 0.000 1.087 171 A HN 0.515 nan 8.150 nan 0.000 0.504 172 F N 1.328 121.170 119.950 -0.179 0.000 2.499 172 F HA 0.312 9.509 4.527 7.785 0.000 0.333 172 F C 0.422 176.202 175.800 -0.033 0.000 1.138 172 F CA -0.172 57.761 58.000 -0.113 0.000 0.945 172 F CB 2.340 41.283 39.000 -0.096 0.000 1.181 172 F HN 0.430 nan 8.300 nan 0.000 0.435 173 S N 2.261 118.011 115.700 0.083 0.000 2.411 173 S HA 0.269 9.409 4.470 7.785 0.000 0.304 173 S C -0.042 174.598 174.600 0.067 0.000 1.098 173 S CA -0.637 57.601 58.200 0.064 0.000 1.068 173 S CB -0.205 62.995 63.200 0.000 0.000 1.032 173 S HN 0.733 nan 8.310 nan 0.000 0.511 174 C N 0.959 120.322 119.300 0.105 0.000 2.955 174 C HA 0.437 9.568 4.460 7.785 0.000 0.229 174 C C 0.016 175.015 174.990 0.015 0.000 1.842 174 C CA -1.323 57.737 59.018 0.071 0.000 1.539 174 C CB -1.837 25.988 27.740 0.142 0.000 2.869 174 C HN 0.605 nan 8.230 nan 0.000 0.503 175 E N 1.173 121.283 120.200 -0.149 0.000 2.415 175 E HA 0.382 9.403 4.350 7.785 0.000 0.263 175 E C 1.579 177.964 176.600 -0.358 0.000 0.995 175 E CA 0.807 57.027 56.400 -0.299 0.000 0.915 175 E CB 0.680 30.015 29.700 -0.608 0.000 0.951 175 E HN 0.621 nan 8.360 nan 0.000 0.449 176 G N 2.658 111.348 108.800 -0.184 0.000 2.516 176 G HA2 -0.292 8.339 3.960 7.785 0.000 0.221 176 G HA3 -0.292 8.339 3.960 7.785 0.000 0.221 176 G C 0.798 175.654 174.900 -0.073 0.000 1.107 176 G CA 0.947 45.993 45.100 -0.089 0.000 0.747 176 G HN 0.724 nan 8.290 nan 0.000 0.567 177 Y N -0.291 120.019 120.300 0.017 0.000 2.496 177 Y HA 0.576 9.796 4.550 7.783 0.000 0.313 177 Y C 0.564 176.481 175.900 0.028 0.000 1.184 177 Y CA -1.356 56.755 58.100 0.019 0.000 1.275 177 Y CB -0.340 38.127 38.460 0.012 0.000 1.103 177 Y HN -0.100 nan 8.280 nan 0.000 0.513 178 K N 0.775 121.080 120.400 -0.158 0.000 2.156 178 K HA 0.553 9.543 4.320 7.785 0.000 0.254 178 K C 0.790 177.394 176.600 0.006 0.000 0.950 178 K CA -0.233 56.015 56.287 -0.065 0.000 0.849 178 K CB 1.551 33.970 32.500 -0.135 0.000 1.100 178 K HN 0.441 nan 8.250 nan 0.000 0.434 179 G N 0.408 109.238 108.800 0.049 0.000 2.556 179 G HA2 -0.327 8.304 3.960 7.785 0.000 0.283 179 G HA3 -0.327 8.304 3.960 7.785 0.000 0.283 179 G C 0.473 175.419 174.900 0.077 0.000 1.177 179 G CA 0.399 45.541 45.100 0.070 0.000 0.978 179 G HN 0.815 nan 8.290 nan 0.000 0.554 180 V N -3.356 116.608 119.914 0.084 0.000 3.392 180 V HA 0.696 9.487 4.120 7.785 0.000 0.285 180 V C 0.467 176.625 176.094 0.107 0.000 1.582 180 V CA 1.568 63.926 62.300 0.097 0.000 1.034 180 V CB -0.064 31.823 31.823 0.107 0.000 0.846 180 V HN 2.603 nan 8.190 nan 0.000 0.431 181 S N -0.234 115.519 115.700 0.088 0.000 2.656 181 S HA 0.237 9.378 4.470 7.785 0.000 0.265 181 S C 0.432 175.003 174.600 -0.048 0.000 1.132 181 S CA 0.082 58.323 58.200 0.068 0.000 0.819 181 S CB 1.105 64.419 63.200 0.191 0.000 1.119 181 S HN 0.413 nan 8.310 nan 0.000 0.476 182 Q N 0.508 120.176 119.800 -0.219 0.000 2.508 182 Q HA -0.015 8.996 4.340 7.785 0.000 0.214 182 Q C 1.425 177.085 176.000 -0.567 0.000 0.979 182 Q CA 1.791 57.326 55.803 -0.446 0.000 0.911 182 Q CB -0.608 27.768 28.738 -0.603 0.000 0.969 182 Q HN 0.579 nan 8.270 nan 0.000 0.504 183 S N 0.571 116.154 115.700 -0.195 0.000 2.423 183 S HA -0.004 9.136 4.470 7.785 0.000 0.231 183 S C 1.894 176.662 174.600 0.281 0.000 1.014 183 S CA 0.931 59.321 58.200 0.315 0.000 0.965 183 S CB -0.164 63.470 63.200 0.724 0.000 0.785 183 S HN 0.629 nan 8.310 nan 0.000 0.495 184 A N 0.629 123.532 122.820 0.139 0.000 1.969 184 A HA 0.161 9.152 4.320 7.785 0.000 0.218 184 A C 2.229 179.827 177.584 0.023 0.000 1.169 184 A CA 1.546 53.662 52.037 0.131 0.000 0.635 184 A CB -1.262 17.786 19.000 0.079 0.000 0.810 184 A HN 0.573 nan 8.150 nan 0.000 0.445 185 G N -1.138 107.579 108.800 -0.137 0.000 2.422 185 G HA2 -0.150 8.481 3.960 7.785 0.000 0.218 185 G HA3 -0.150 8.481 3.960 7.785 0.000 0.218 185 G C 1.305 176.073 174.900 -0.219 0.000 1.140 185 G CA 1.116 46.085 45.100 -0.219 0.000 0.775 185 G HN 0.750 nan 8.290 nan 0.000 0.545 186 H N -1.467 117.545 119.070 -0.097 0.000 2.326 186 H HA -0.011 9.216 4.556 7.783 0.000 0.301 186 H C 2.222 177.406 175.328 -0.240 0.000 1.081 186 H CA 1.350 57.328 56.048 -0.116 0.000 1.334 186 H CB -0.238 29.517 29.762 -0.011 0.000 1.385 186 H HN 0.466 nan 8.280 nan 0.000 0.504 187 H N 0.737 119.617 119.070 -0.318 0.000 2.290 187 H HA -0.144 9.083 4.556 7.784 0.000 0.298 187 H C 2.141 177.270 175.328 -0.332 0.000 1.087 187 H CA 1.657 57.294 56.048 -0.684 0.000 1.291 187 H CB -0.037 29.553 29.762 -0.286 0.000 1.369 187 H HN 0.237 nan 8.280 nan 0.000 0.492 188 I N 0.911 121.337 120.570 -0.239 0.000 2.151 188 I HA -0.313 8.528 4.170 7.785 0.000 0.243 188 I C 2.947 179.062 176.117 -0.005 0.000 1.080 188 I CA 1.238 62.436 61.300 -0.169 0.000 1.339 188 I CB -0.374 37.593 38.000 -0.055 0.000 1.039 188 I HN 0.364 nan 8.210 nan 0.000 0.409 189 A N 0.322 123.173 122.820 0.051 0.000 1.897 189 A HA -0.178 8.812 4.320 7.785 0.000 0.215 189 A C 2.105 179.783 177.584 0.157 0.000 1.181 189 A CA 1.503 53.665 52.037 0.208 0.000 0.620 189 A CB -0.797 18.180 19.000 -0.038 0.000 0.821 189 A HN 0.447 nan 8.150 nan 0.000 0.443 190 N N 0.263 118.955 118.700 -0.014 0.000 2.272 190 N HA -0.175 9.236 4.740 7.785 0.000 0.185 190 N C 1.108 176.607 175.510 -0.017 0.000 1.014 190 N CA 1.405 54.436 53.050 -0.031 0.000 0.870 190 N CB -0.173 38.220 38.487 -0.155 0.000 0.975 190 N HN 0.487 nan 8.380 nan 0.000 0.433 191 N N 0.312 118.974 118.700 -0.065 0.000 2.109 191 N HA -0.063 9.348 4.740 7.785 0.000 0.188 191 N C 1.780 177.248 175.510 -0.071 0.000 1.034 191 N CA 1.271 54.278 53.050 -0.071 0.000 0.846 191 N CB -0.998 37.401 38.487 -0.146 0.000 1.010 191 N HN 0.129 nan 8.380 nan 0.000 0.425 192 T N 1.445 115.938 114.554 -0.101 0.000 2.720 192 T HA -0.071 8.949 4.350 7.785 0.000 0.268 192 T C 2.156 176.796 174.700 -0.100 0.000 1.037 192 T CA 1.040 63.012 62.100 -0.212 0.000 1.144 192 T CB -0.526 68.008 68.868 -0.558 0.000 0.864 192 T HN -0.048 nan 8.240 nan 0.000 0.444 193 V N 1.875 121.826 119.914 0.062 0.000 2.214 193 V HA -0.269 8.522 4.120 7.785 0.000 0.247 193 V C 2.497 178.608 176.094 0.027 0.000 1.051 193 V CA 2.254 64.602 62.300 0.080 0.000 1.003 193 V CB -0.806 31.084 31.823 0.112 0.000 0.635 193 V HN 0.392 nan 8.190 nan 0.000 0.447 194 M N 0.725 120.343 119.600 0.030 0.000 2.113 194 M HA -0.218 8.933 4.480 7.785 0.000 0.255 194 M C 1.984 178.296 176.300 0.019 0.000 1.073 194 M CA 2.791 58.113 55.300 0.036 0.000 1.091 194 M CB -1.284 31.338 32.600 0.037 0.000 1.309 194 M HN 0.519 nan 8.290 nan 0.000 0.407 195 T N 0.809 115.351 114.554 -0.020 0.000 2.571 195 T HA -0.097 8.924 4.350 7.785 0.000 0.255 195 T C 1.072 175.755 174.700 -0.029 0.000 1.100 195 T CA 1.549 63.630 62.100 -0.033 0.000 1.199 195 T CB -0.770 68.055 68.868 -0.071 0.000 0.870 195 T HN 0.613 nan 8.240 nan 0.000 0.399 196 D N 0.814 121.164 120.400 -0.085 0.000 2.395 196 D HA 0.197 9.508 4.640 7.785 0.000 0.226 196 D C 1.180 177.485 176.300 0.007 0.000 1.146 196 D CA -0.019 53.941 54.000 -0.066 0.000 0.830 196 D CB -0.002 40.702 40.800 -0.160 0.000 0.958 196 D HN 0.590 nan 8.370 nan 0.000 0.501 197 I N -2.880 117.700 120.570 0.017 0.000 4.547 197 I HA 0.250 9.091 4.170 7.785 0.000 0.303 197 I C -0.048 176.049 176.117 -0.033 0.000 1.188 197 I CA -0.247 61.057 61.300 0.006 0.000 1.320 197 I CB 0.535 38.538 38.000 0.005 0.000 1.495 197 I HN -0.278 nan 8.210 nan 0.000 0.462 198 I N 3.326 123.899 120.570 0.006 0.000 2.648 198 I HA 0.312 9.153 4.170 7.785 0.000 0.284 198 I C 1.493 177.657 176.117 0.079 0.000 1.153 198 I CA 1.229 62.546 61.300 0.029 0.000 1.426 198 I CB 0.374 38.424 38.000 0.084 0.000 1.381 198 I HN 0.704 nan 8.210 nan 0.000 0.571 199 G N 5.024 113.848 108.800 0.040 0.000 2.345 199 G HA2 -0.208 8.423 3.960 7.785 0.000 0.218 199 G HA3 -0.208 8.423 3.960 7.785 0.000 0.218 199 G C 0.242 175.173 174.900 0.052 0.000 1.058 199 G CA -0.570 44.579 45.100 0.082 0.000 0.632 199 G HN 0.501 nan 8.290 nan 0.000 0.508 200 K N 2.009 122.437 120.400 0.046 0.000 2.412 200 K HA 0.543 9.533 4.320 7.785 0.000 0.281 200 K C 0.668 177.280 176.600 0.019 0.000 1.027 200 K CA 0.814 57.127 56.287 0.043 0.000 0.989 200 K CB 0.865 33.397 32.500 0.054 0.000 0.935 200 K HN 1.779 nan 8.250 nan 0.000 0.475 201 G N 1.415 110.231 108.800 0.026 0.000 2.347 201 G HA2 -0.157 8.474 3.960 7.785 0.000 0.477 201 G HA3 -0.157 8.474 3.960 7.785 0.000 0.477 201 G C -0.107 174.801 174.900 0.013 0.000 1.349 201 G CA -0.126 44.985 45.100 0.018 0.000 1.000 201 G HN 0.611 nan 8.290 nan 0.000 0.605 202 N N -0.526 118.182 118.700 0.013 0.000 2.486 202 N HA 0.022 9.432 4.740 7.785 0.000 0.242 202 N C 0.900 176.413 175.510 0.004 0.000 1.083 202 N CA 0.701 53.758 53.050 0.011 0.000 0.844 202 N CB 0.164 38.662 38.487 0.020 0.000 1.527 202 N HN 0.634 nan 8.380 nan 0.000 0.462 203 K N 2.209 122.616 120.400 0.010 0.000 2.325 203 K HA -0.136 8.854 4.320 7.785 0.000 0.258 203 K C -0.897 175.703 176.600 0.000 0.000 1.250 203 K CA 0.390 56.684 56.287 0.011 0.000 1.260 203 K CB -0.313 32.201 32.500 0.025 0.000 0.785 203 K HN 0.412 nan 8.250 nan 0.000 0.501 204 E N 3.061 123.257 120.200 -0.006 0.000 2.418 204 E HA -0.054 8.966 4.350 7.785 0.000 0.261 204 E C 0.108 176.693 176.600 -0.025 0.000 1.070 204 E CA -0.189 56.201 56.400 -0.016 0.000 0.931 204 E CB 0.390 30.081 29.700 -0.016 0.000 0.954 204 E HN 0.561 nan 8.360 nan 0.000 0.439 205 Q N 1.087 120.870 119.800 -0.029 0.000 2.354 205 Q HA 0.137 9.147 4.340 7.785 0.000 0.244 205 Q C -0.549 175.410 176.000 -0.069 0.000 0.969 205 Q CA -0.283 55.502 55.803 -0.030 0.000 0.885 205 Q CB 0.630 29.358 28.738 -0.017 0.000 1.241 205 Q HN 0.500 nan 8.270 nan 0.000 0.461 206 K N 1.715 122.041 120.400 -0.123 0.000 2.245 206 K HA 0.403 9.394 4.320 7.785 0.000 0.234 206 K C -0.790 175.776 176.600 -0.057 0.000 1.021 206 K CA -0.885 55.301 56.287 -0.168 0.000 0.898 206 K CB 1.077 33.307 32.500 -0.451 0.000 1.163 206 K HN 0.416 nan 8.250 nan 0.000 0.459 207 K N 0.826 121.197 120.400 -0.048 0.000 2.237 207 K HA 0.083 9.073 4.320 7.785 0.000 0.270 207 K C -0.805 175.818 176.600 0.039 0.000 1.015 207 K CA 0.020 56.236 56.287 -0.117 0.000 0.949 207 K CB 0.113 32.503 32.500 -0.183 0.000 0.976 207 K HN 0.500 nan 8.250 nan 0.000 0.472 208 Y N -1.304 119.101 120.300 0.176 0.000 4.177 208 Y HA -0.272 8.949 4.550 7.784 0.000 0.227 208 Y C 0.065 176.141 175.900 0.294 0.000 1.154 208 Y CA 0.072 58.266 58.100 0.155 0.000 1.887 208 Y CB -2.448 35.992 38.460 -0.033 0.000 1.594 208 Y HN 0.419 nan 8.280 nan 0.000 0.668 209 S N 0.553 116.474 115.700 0.369 0.000 2.488 209 S HA 0.444 9.584 4.470 7.785 0.000 0.278 209 S C 0.266 175.049 174.600 0.305 0.000 1.259 209 S CA -0.272 58.147 58.200 0.363 0.000 1.061 209 S CB 0.442 63.824 63.200 0.303 0.000 0.910 209 S HN 0.270 nan 8.310 nan 0.000 0.491 210 I N 4.433 125.121 120.570 0.198 0.000 2.693 210 I HA 0.445 9.286 4.170 7.785 0.000 0.303 210 I C -0.426 175.722 176.117 0.052 0.000 1.025 210 I CA -0.501 60.869 61.300 0.116 0.000 1.086 210 I CB 1.836 39.834 38.000 -0.004 0.000 1.268 210 I HN 0.459 nan 8.210 nan 0.000 0.440 211 N N 4.103 122.826 118.700 0.040 0.000 2.314 211 N HA 0.443 9.854 4.740 7.785 0.000 0.294 211 N C -1.382 174.131 175.510 0.006 0.000 1.029 211 N CA -0.389 52.666 53.050 0.008 0.000 0.845 211 N CB 2.567 41.056 38.487 0.004 0.000 1.321 211 N HN 0.162 nan 8.380 nan 0.000 0.481 212 V N 3.416 123.325 119.914 -0.009 0.000 2.364 212 V HA 0.369 9.159 4.120 7.785 0.000 0.272 212 V C 0.152 176.210 176.094 -0.061 0.000 1.036 212 V CA -0.530 61.774 62.300 0.007 0.000 0.880 212 V CB 0.882 32.730 31.823 0.042 0.000 0.991 212 V HN 0.406 nan 8.190 nan 0.000 0.460 213 L N 4.454 125.633 121.223 -0.074 0.000 2.295 213 L HA 0.627 9.638 4.340 7.785 0.000 0.285 213 L C 0.999 177.763 176.870 -0.178 0.000 1.035 213 L CA -0.212 54.553 54.840 -0.126 0.000 0.806 213 L CB 1.391 43.381 42.059 -0.115 0.000 1.214 213 L HN 0.895 nan 8.230 nan 0.000 0.426 214 G N 2.426 111.064 108.800 -0.269 0.000 2.401 214 G HA2 -0.199 8.431 3.960 7.785 0.000 0.283 214 G HA3 -0.199 8.431 3.960 7.785 0.000 0.283 214 G C -0.351 174.269 174.900 -0.467 0.000 1.117 214 G CA -0.121 44.770 45.100 -0.350 0.000 1.051 214 G HN 0.674 nan 8.290 nan 0.000 0.510 215 E N -0.236 119.542 120.200 -0.704 0.000 2.409 215 E HA 0.548 9.569 4.350 7.785 0.000 0.259 215 E C 0.235 176.497 176.600 -0.563 0.000 0.932 215 E CA -1.078 55.050 56.400 -0.452 0.000 0.809 215 E CB 0.172 29.755 29.700 -0.195 0.000 1.341 215 E HN 0.282 nan 8.360 nan 0.000 0.405 216 Y N 2.851 123.109 120.300 -0.071 0.000 2.477 216 Y HA 0.178 9.399 4.550 7.785 0.000 0.303 216 Y C 0.844 176.705 175.900 -0.064 0.000 1.202 216 Y CA 0.061 58.106 58.100 -0.093 0.000 1.282 216 Y CB -0.501 37.901 38.460 -0.096 0.000 1.071 216 Y HN 0.568 nan 8.280 nan 0.000 0.510 217 N N 1.077 119.735 118.700 -0.069 0.000 2.650 217 N HA -0.225 9.186 4.740 7.785 0.000 0.272 217 N C -1.240 174.222 175.510 -0.078 0.000 1.058 217 N CA 0.123 53.077 53.050 -0.160 0.000 0.765 217 N CB -1.027 37.218 38.487 -0.404 0.000 0.902 217 N HN 0.209 nan 8.380 nan 0.000 0.551 218 I N 0.930 121.501 120.570 0.001 0.000 2.395 218 I HA 0.352 9.193 4.170 7.785 0.000 0.289 218 I C 1.674 177.777 176.117 -0.024 0.000 1.023 218 I CA 0.624 61.879 61.300 -0.074 0.000 1.350 218 I CB 0.761 38.603 38.000 -0.262 0.000 1.409 218 I HN 0.525 nan 8.210 nan 0.000 0.507 219 G N 4.755 113.538 108.800 -0.028 0.000 2.341 219 G HA2 -0.043 8.588 3.960 7.785 0.000 0.292 219 G HA3 -0.043 8.588 3.960 7.785 0.000 0.292 219 G C 1.071 176.051 174.900 0.133 0.000 1.021 219 G CA 0.735 45.900 45.100 0.109 0.000 0.905 219 G HN 1.682 nan 8.290 nan 0.000 0.508 220 G N -0.894 107.912 108.800 0.011 0.000 2.267 220 G HA2 -0.347 8.284 3.960 7.785 0.000 0.257 220 G HA3 -0.347 8.284 3.960 7.785 0.000 0.257 220 G C 1.149 176.066 174.900 0.030 0.000 0.998 220 G CA 0.890 46.022 45.100 0.053 0.000 0.620 220 G HN 0.721 nan 8.290 nan 0.000 0.529 221 D N 0.946 121.387 120.400 0.068 0.000 2.248 221 D HA -0.264 9.046 4.640 7.785 0.000 0.189 221 D C 2.634 178.926 176.300 -0.014 0.000 1.011 221 D CA 2.577 56.617 54.000 0.066 0.000 0.868 221 D CB -0.779 40.087 40.800 0.111 0.000 0.931 221 D HN 0.930 nan 8.370 nan 0.000 0.449 222 A N 0.619 123.366 122.820 -0.122 0.000 1.930 222 A HA -0.156 8.835 4.320 7.785 0.000 0.217 222 A C 2.071 179.642 177.584 -0.022 0.000 1.175 222 A CA 1.061 53.018 52.037 -0.134 0.000 0.627 222 A CB -0.932 17.937 19.000 -0.219 0.000 0.815 222 A HN 0.253 nan 8.150 nan 0.000 0.443 223 W N 0.279 121.581 121.300 0.003 0.000 2.364 223 W HA -0.103 9.229 4.660 7.786 0.000 0.281 223 W C 2.117 178.629 176.519 -0.011 0.000 1.219 223 W CA 1.478 58.823 57.345 0.000 0.000 1.220 223 W CB -0.726 28.748 29.460 0.024 0.000 1.127 223 W HN 0.569 nan 8.180 nan 0.000 0.556 224 E N 0.110 120.418 120.200 0.180 0.000 2.107 224 E HA -0.150 8.871 4.350 7.785 0.000 0.191 224 E C 2.071 178.667 176.600 -0.006 0.000 0.982 224 E CA 1.499 57.958 56.400 0.098 0.000 0.809 224 E CB -0.609 29.152 29.700 0.101 0.000 0.756 224 E HN 0.193 nan 8.360 nan 0.000 0.459 225 M N 0.226 119.754 119.600 -0.120 0.000 2.077 225 M HA -0.073 9.078 4.480 7.785 0.000 0.261 225 M C 2.032 178.183 176.300 -0.248 0.000 1.070 225 M CA 1.942 57.025 55.300 -0.362 0.000 1.125 225 M CB -0.432 31.791 32.600 -0.629 0.000 1.339 225 M HN 0.054 nan 8.290 nan 0.000 0.409 226 D N 0.410 120.730 120.400 -0.132 0.000 2.221 226 D HA -0.191 9.119 4.640 7.785 0.000 0.204 226 D C 1.962 178.265 176.300 0.004 0.000 0.982 226 D CA 1.238 55.210 54.000 -0.048 0.000 0.857 226 D CB -0.063 40.743 40.800 0.010 0.000 0.934 226 D HN 0.191 nan 8.370 nan 0.000 0.475 227 R N -0.126 120.391 120.500 0.029 0.000 2.094 227 R HA -0.149 8.862 4.340 7.785 0.000 0.239 227 R C 1.992 178.312 176.300 0.033 0.000 1.137 227 R CA 1.939 58.062 56.100 0.039 0.000 0.943 227 R CB -0.347 29.989 30.300 0.061 0.000 0.850 227 R HN 0.182 nan 8.270 nan 0.000 0.433 228 V N 1.139 121.075 119.914 0.037 0.000 2.667 228 V HA -0.175 8.615 4.120 7.785 0.000 0.252 228 V C 2.207 178.341 176.094 0.068 0.000 1.065 228 V CA 1.391 63.735 62.300 0.074 0.000 1.083 228 V CB -0.324 31.592 31.823 0.154 0.000 0.692 228 V HN 0.317 nan 8.190 nan 0.000 0.468 229 L N -0.660 120.590 121.223 0.045 0.000 2.202 229 L HA 0.022 9.033 4.340 7.785 0.000 0.205 229 L C 2.475 179.412 176.870 0.112 0.000 1.083 229 L CA 0.860 55.781 54.840 0.136 0.000 0.790 229 L CB -0.478 41.632 42.059 0.085 0.000 0.942 229 L HN 0.231 nan 8.230 nan 0.000 0.452 230 E N 0.693 120.925 120.200 0.053 0.000 2.097 230 E HA -0.235 8.785 4.350 7.785 0.000 0.196 230 E C 2.105 178.705 176.600 0.000 0.000 1.000 230 E CA 1.153 57.573 56.400 0.034 0.000 0.804 230 E CB 0.092 29.808 29.700 0.026 0.000 0.740 230 E HN 0.084 nan 8.360 nan 0.000 0.454 231 K N -0.056 120.344 120.400 0.000 0.000 2.360 231 K HA -0.115 8.876 4.320 7.785 0.000 0.201 231 K C 1.640 178.202 176.600 -0.063 0.000 1.046 231 K CA 0.914 57.187 56.287 -0.023 0.000 0.940 231 K CB 0.007 32.506 32.500 -0.002 0.000 0.748 231 K HN 0.328 nan 8.250 nan 0.000 0.465 232 I N -1.848 118.668 120.570 -0.091 0.000 3.526 232 I HA 0.044 8.885 4.170 7.785 0.000 0.294 232 I C 1.137 177.011 176.117 -0.405 0.000 1.229 232 I CA 0.605 61.763 61.300 -0.237 0.000 1.408 232 I CB 0.585 38.432 38.000 -0.255 0.000 1.127 232 I HN 0.205 nan 8.210 nan 0.000 0.439 233 G N 0.199 108.801 108.800 -0.330 0.000 2.173 233 G HA2 -0.185 8.446 3.960 7.785 0.000 0.142 233 G HA3 -0.185 8.446 3.960 7.785 0.000 0.142 233 G C -0.257 174.450 174.900 -0.321 0.000 1.019 233 G CA -0.709 44.176 45.100 -0.359 0.000 0.699 233 G HN 0.094 nan 8.290 nan 0.000 0.495 234 Y N 1.231 121.459 120.300 -0.121 0.000 2.301 234 Y HA 0.558 9.779 4.550 7.785 0.000 0.325 234 Y C 0.861 176.810 175.900 0.081 0.000 1.203 234 Y CA -0.835 57.257 58.100 -0.013 0.000 1.255 234 Y CB 0.813 39.246 38.460 -0.045 0.000 1.232 234 Y HN 0.230 nan 8.280 nan 0.000 0.501 235 H N 3.580 122.806 119.070 0.260 0.000 2.690 235 H HA 0.301 9.528 4.556 7.785 0.000 0.280 235 H C -0.986 174.426 175.328 0.139 0.000 1.138 235 H CA -0.522 55.625 56.048 0.166 0.000 1.241 235 H CB 0.721 30.574 29.762 0.152 0.000 1.394 235 H HN 0.572 nan 8.280 nan 0.000 0.489 236 V N 6.292 126.052 119.914 -0.256 0.000 2.397 236 V HA -0.001 8.790 4.120 7.785 0.000 0.262 236 V C 1.129 176.987 176.094 -0.393 0.000 1.047 236 V CA 0.271 62.445 62.300 -0.209 0.000 1.003 236 V CB 0.314 32.078 31.823 -0.097 0.000 1.037 236 V HN 0.902 nan 8.190 nan 0.000 0.480 237 N N 5.216 123.755 118.700 -0.268 0.000 2.106 237 N HA 0.047 9.458 4.740 7.785 0.000 0.188 237 N C 0.419 175.904 175.510 -0.042 0.000 1.029 237 N CA 1.116 54.100 53.050 -0.110 0.000 0.848 237 N CB 0.219 38.749 38.487 0.073 0.000 1.007 237 N HN 0.871 nan 8.380 nan 0.000 0.423 238 A N 0.256 123.052 122.820 -0.040 0.000 2.465 238 A HA 0.434 9.424 4.320 7.785 0.000 0.292 238 A C -1.002 176.556 177.584 -0.044 0.000 1.041 238 A CA -0.545 51.475 52.037 -0.029 0.000 0.718 238 A CB 1.451 20.439 19.000 -0.021 0.000 1.266 238 A HN 0.111 nan 8.150 nan 0.000 0.403 239 T N 2.458 116.982 114.554 -0.050 0.000 2.780 239 T HA 0.424 9.444 4.350 7.785 0.000 0.294 239 T C -0.266 174.367 174.700 -0.111 0.000 0.949 239 T CA 0.173 62.222 62.100 -0.085 0.000 1.074 239 T CB 0.227 69.039 68.868 -0.092 0.000 0.910 239 T HN 0.395 nan 8.240 nan 0.000 0.501 240 L N 6.027 127.157 121.223 -0.155 0.000 2.328 240 L HA 0.348 9.358 4.340 7.785 0.000 0.280 240 L C 1.032 177.708 176.870 -0.323 0.000 1.111 240 L CA 0.818 55.557 54.840 -0.168 0.000 0.909 240 L CB -0.927 41.055 42.059 -0.129 0.000 1.277 240 L HN 1.185 nan 8.230 nan 0.000 0.433 241 T N -0.143 114.285 114.554 -0.210 0.000 4.388 241 T HA -0.008 9.012 4.350 7.785 0.000 0.145 241 T C 0.972 175.589 174.700 -0.139 0.000 1.770 241 T CA 0.011 62.017 62.100 -0.157 0.000 1.175 241 T CB -1.717 67.069 68.868 -0.136 0.000 2.605 241 T HN 1.665 nan 8.240 nan 0.000 0.224 242 G N 2.234 110.966 108.800 -0.113 0.000 5.306 242 G HA2 -0.289 8.342 3.960 7.785 0.000 0.318 242 G HA3 -0.289 8.342 3.960 7.785 0.000 0.318 242 G C 0.175 175.097 174.900 0.037 0.000 1.413 242 G CA 1.525 46.589 45.100 -0.060 0.000 0.981 242 G HN 1.894 nan 8.290 nan 0.000 0.788 243 D N 1.701 122.110 120.400 0.015 0.000 2.963 243 D HA 0.641 9.952 4.640 7.785 0.000 0.361 243 D C 0.326 176.703 176.300 0.129 0.000 1.317 243 D CA 0.783 54.872 54.000 0.147 0.000 0.832 243 D CB -0.059 40.903 40.800 0.269 0.000 1.135 243 D HN 0.790 nan 8.370 nan 0.000 0.476 244 A N 0.427 123.304 122.820 0.094 0.000 2.305 244 A HA 0.635 9.625 4.320 7.785 0.000 0.322 244 A C 0.504 178.164 177.584 0.127 0.000 1.187 244 A CA -0.465 51.622 52.037 0.083 0.000 0.825 244 A CB 0.996 20.020 19.000 0.040 0.000 1.164 244 A HN 0.244 nan 8.150 nan 0.000 0.498 245 T N 1.245 115.873 114.554 0.124 0.000 2.904 245 T HA 0.210 9.231 4.350 7.785 0.000 0.290 245 T C 0.973 175.785 174.700 0.185 0.000 1.018 245 T CA 0.284 62.477 62.100 0.155 0.000 1.075 245 T CB 0.385 69.330 68.868 0.127 0.000 0.986 245 T HN 0.590 nan 8.240 nan 0.000 0.523 246 Y N 1.900 122.257 120.300 0.094 0.000 2.274 246 Y HA -0.126 9.094 4.550 7.784 0.000 0.290 246 Y C 2.017 177.966 175.900 0.082 0.000 1.145 246 Y CA 1.626 59.783 58.100 0.094 0.000 1.203 246 Y CB 0.062 38.572 38.460 0.084 0.000 0.984 246 Y HN 0.634 nan 8.280 nan 0.000 0.533 247 E N 0.217 120.531 120.200 0.190 0.000 2.268 247 E HA -0.112 8.909 4.350 7.785 0.000 0.195 247 E C 1.904 178.523 176.600 0.032 0.000 0.995 247 E CA 1.023 57.482 56.400 0.099 0.000 0.836 247 E CB -0.127 29.656 29.700 0.139 0.000 0.763 247 E HN 0.408 nan 8.360 nan 0.000 0.491 248 K N -0.139 120.284 120.400 0.040 0.000 2.211 248 K HA 0.028 9.019 4.320 7.785 0.000 0.201 248 K C 1.724 178.318 176.600 -0.010 0.000 1.052 248 K CA 0.367 56.670 56.287 0.027 0.000 0.973 248 K CB 0.384 32.913 32.500 0.049 0.000 0.766 248 K HN -0.028 nan 8.250 nan 0.000 0.466 249 V N 1.262 121.155 119.914 -0.036 0.000 2.270 249 V HA -0.254 8.537 4.120 7.785 0.000 0.245 249 V C 2.217 178.250 176.094 -0.102 0.000 1.043 249 V CA 1.603 63.865 62.300 -0.064 0.000 1.014 249 V CB -0.637 31.142 31.823 -0.073 0.000 0.645 249 V HN 0.358 nan 8.190 nan 0.000 0.447 250 Q N 0.488 120.175 119.800 -0.189 0.000 2.197 250 Q HA -0.228 8.783 4.340 7.785 0.000 0.211 250 Q C 1.009 176.961 176.000 -0.079 0.000 0.993 250 Q CA 1.708 57.414 55.803 -0.163 0.000 0.883 250 Q CB -0.178 28.450 28.738 -0.183 0.000 0.916 250 Q HN 0.663 nan 8.270 nan 0.000 0.418 251 N N -0.868 117.798 118.700 -0.056 0.000 2.453 251 N HA 0.181 9.592 4.740 7.785 0.000 0.270 251 N C -0.141 175.341 175.510 -0.046 0.000 1.195 251 N CA 0.185 53.207 53.050 -0.046 0.000 0.902 251 N CB 1.068 39.546 38.487 -0.015 0.000 1.186 251 N HN 0.124 nan 8.380 nan 0.000 0.510 252 A N 0.724 123.513 122.820 -0.052 0.000 2.235 252 A HA -0.087 8.904 4.320 7.785 0.000 0.208 252 A C 1.270 178.814 177.584 -0.068 0.000 1.172 252 A CA 0.552 52.565 52.037 -0.039 0.000 0.786 252 A CB -0.027 18.959 19.000 -0.024 0.000 0.804 252 A HN 0.234 nan 8.150 nan 0.000 0.479 253 D N -1.111 119.196 120.400 -0.155 0.000 2.328 253 D HA 0.073 9.383 4.640 7.785 0.000 0.221 253 D C 0.047 176.232 176.300 -0.192 0.000 1.072 253 D CA 0.179 54.009 54.000 -0.284 0.000 0.850 253 D CB -0.016 40.325 40.800 -0.766 0.000 0.922 253 D HN 0.087 nan 8.370 nan 0.000 0.516 254 K N 0.822 121.168 120.400 -0.089 0.000 2.997 254 K HA 0.549 9.539 4.320 7.785 0.000 0.249 254 K C -0.332 176.291 176.600 0.038 0.000 1.284 254 K CA -0.289 55.980 56.287 -0.030 0.000 1.245 254 K CB 0.905 33.404 32.500 -0.001 0.000 1.670 254 K HN 0.224 nan 8.250 nan 0.000 0.385 255 A N -0.595 122.236 122.820 0.019 0.000 2.681 255 A HA 0.611 9.602 4.320 7.785 0.000 0.278 255 A C -0.365 177.254 177.584 0.057 0.000 1.272 255 A CA -0.419 51.659 52.037 0.068 0.000 0.750 255 A CB 1.130 20.159 19.000 0.048 0.000 1.351 255 A HN 0.272 nan 8.150 nan 0.000 0.514 256 D N -2.063 118.381 120.400 0.073 0.000 1.924 256 D HA 0.242 9.553 4.640 7.785 0.000 0.371 256 D C -0.640 175.622 176.300 -0.063 0.000 1.086 256 D CA 0.326 54.331 54.000 0.009 0.000 0.982 256 D CB 0.739 41.612 40.800 0.121 0.000 1.872 256 D HN 0.297 nan 8.370 nan 0.000 0.543 257 L N 1.293 122.529 121.223 0.022 0.000 2.371 257 L HA 0.431 9.442 4.340 7.785 0.000 0.262 257 L C -1.030 175.885 176.870 0.074 0.000 1.006 257 L CA -0.712 54.141 54.840 0.022 0.000 0.818 257 L CB 2.509 44.596 42.059 0.048 0.000 1.354 257 L HN -0.171 nan 8.230 nan 0.000 0.415 258 N N 2.247 121.004 118.700 0.096 0.000 2.362 258 N HA 0.537 9.948 4.740 7.785 0.000 0.298 258 N C -1.229 174.338 175.510 0.096 0.000 1.048 258 N CA -0.423 52.680 53.050 0.088 0.000 0.858 258 N CB 2.338 40.879 38.487 0.090 0.000 1.218 258 N HN 0.295 nan 8.380 nan 0.000 0.488 259 L N 2.135 123.390 121.223 0.054 0.000 2.356 259 L HA 0.323 9.333 4.340 7.785 0.000 0.264 259 L C -0.260 176.602 176.870 -0.013 0.000 1.029 259 L CA -0.583 54.276 54.840 0.033 0.000 0.897 259 L CB 1.247 43.326 42.059 0.033 0.000 1.256 259 L HN 0.192 nan 8.230 nan 0.000 0.444 260 V N 2.834 122.739 119.914 -0.016 0.000 2.425 260 V HA -0.036 8.755 4.120 7.785 0.000 0.276 260 V C 1.091 177.110 176.094 -0.124 0.000 1.017 260 V CA 0.176 62.410 62.300 -0.109 0.000 1.062 260 V CB 1.007 32.714 31.823 -0.194 0.000 0.997 260 V HN 0.815 nan 8.190 nan 0.000 0.476 261 Q N 4.374 124.099 119.800 -0.126 0.000 2.084 261 Q HA 0.021 9.031 4.340 7.785 0.000 0.194 261 Q C 1.152 177.066 176.000 -0.144 0.000 0.969 261 Q CA 1.081 56.807 55.803 -0.128 0.000 0.829 261 Q CB 0.041 28.748 28.738 -0.051 0.000 0.904 261 Q HN 0.766 nan 8.270 nan 0.000 0.464 262 C N 2.493 121.720 119.300 -0.122 0.000 2.246 262 C HA 0.306 9.437 4.460 7.785 0.000 0.329 262 C C 1.506 176.377 174.990 -0.199 0.000 1.221 262 C CA -0.545 58.397 59.018 -0.127 0.000 1.697 262 C CB -0.673 27.057 27.740 -0.017 0.000 2.312 262 C HN 0.723 nan 8.230 nan 0.000 0.509 263 H N 3.882 122.726 119.070 -0.378 0.000 2.395 263 H HA -0.053 9.173 4.556 7.784 0.000 0.299 263 H C 2.042 177.156 175.328 -0.356 0.000 1.070 263 H CA 1.749 57.538 56.048 -0.432 0.000 1.356 263 H CB 0.128 29.519 29.762 -0.618 0.000 1.401 263 H HN 0.720 nan 8.280 nan 0.000 0.524 264 R N 1.201 121.431 120.500 -0.449 0.000 2.148 264 R HA -0.069 8.942 4.340 7.785 0.000 0.227 264 R C 2.292 178.367 176.300 -0.375 0.000 1.103 264 R CA 1.573 57.398 56.100 -0.459 0.000 0.983 264 R CB -0.328 29.769 30.300 -0.339 0.000 0.874 264 R HN 0.402 nan 8.270 nan 0.000 0.451 265 S N -1.872 113.607 115.700 -0.368 0.000 2.492 265 S HA 0.126 9.267 4.470 7.785 0.000 0.218 265 S C 1.301 175.891 174.600 -0.017 0.000 1.016 265 S CA 0.049 58.042 58.200 -0.346 0.000 0.916 265 S CB 0.297 63.187 63.200 -0.517 0.000 0.791 265 S HN 0.227 nan 8.310 nan 0.000 0.513 266 I N 2.860 123.369 120.570 -0.102 0.000 4.225 266 I HA 0.206 9.047 4.170 7.785 0.000 0.327 266 I C 1.372 177.369 176.117 -0.200 0.000 1.422 266 I CA -0.210 61.056 61.300 -0.056 0.000 1.150 266 I CB 0.304 38.245 38.000 -0.099 0.000 1.192 266 I HN 0.282 nan 8.210 nan 0.000 0.440 267 N N 0.308 118.746 118.700 -0.437 0.000 2.364 267 N HA -0.264 9.146 4.740 7.785 0.000 0.183 267 N C 1.412 176.653 175.510 -0.448 0.000 1.022 267 N CA 1.607 54.266 53.050 -0.652 0.000 0.883 267 N CB -0.477 37.461 38.487 -0.914 0.000 0.965 267 N HN 0.397 nan 8.380 nan 0.000 0.438 268 Y N 1.086 121.255 120.300 -0.218 0.000 2.220 268 Y HA 0.138 9.358 4.550 7.783 0.000 0.291 268 Y C 2.573 178.427 175.900 -0.077 0.000 1.129 268 Y CA 0.502 58.545 58.100 -0.094 0.000 1.161 268 Y CB -0.305 38.152 38.460 -0.005 0.000 0.997 268 Y HN -0.028 nan 8.280 nan 0.000 0.522 269 I N -0.412 120.215 120.570 0.095 0.000 2.277 269 I HA -0.231 8.610 4.170 7.785 0.000 0.243 269 I C 2.614 178.699 176.117 -0.054 0.000 1.094 269 I CA 0.928 62.246 61.300 0.029 0.000 1.393 269 I CB -0.604 37.413 38.000 0.028 0.000 1.078 269 I HN 0.205 nan 8.210 nan 0.000 0.417 270 A N 0.579 123.267 122.820 -0.221 0.000 1.915 270 A HA -0.315 8.675 4.320 7.785 0.000 0.220 270 A C 2.192 179.653 177.584 -0.205 0.000 1.198 270 A CA 2.235 54.026 52.037 -0.410 0.000 0.647 270 A CB -0.741 17.605 19.000 -1.091 0.000 0.825 270 A HN 0.489 nan 8.150 nan 0.000 0.456 271 E N -1.106 119.011 120.200 -0.139 0.000 2.046 271 E HA -0.118 8.903 4.350 7.785 0.000 0.190 271 E C 2.142 178.809 176.600 0.113 0.000 0.982 271 E CA 1.330 57.792 56.400 0.103 0.000 0.800 271 E CB -0.235 29.511 29.700 0.078 0.000 0.756 271 E HN 0.693 nan 8.360 nan 0.000 0.449 272 M N -0.081 119.563 119.600 0.074 0.000 2.374 272 M HA -0.097 9.053 4.480 7.785 0.000 0.264 272 M C 2.206 178.541 176.300 0.058 0.000 1.067 272 M CA 1.073 56.411 55.300 0.064 0.000 1.103 272 M CB -0.047 32.588 32.600 0.059 0.000 1.402 272 M HN 0.157 nan 8.290 nan 0.000 0.444 273 M N -0.658 119.002 119.600 0.101 0.000 2.193 273 M HA -0.160 8.991 4.480 7.785 0.000 0.265 273 M C 2.037 178.445 176.300 0.179 0.000 1.071 273 M CA 1.402 56.804 55.300 0.169 0.000 1.140 273 M CB -0.324 32.394 32.600 0.197 0.000 1.369 273 M HN 0.234 nan 8.290 nan 0.000 0.423 274 E N -0.076 120.233 120.200 0.181 0.000 2.058 274 E HA -0.194 8.827 4.350 7.785 0.000 0.194 274 E C 1.590 178.305 176.600 0.192 0.000 0.997 274 E CA 2.024 58.533 56.400 0.182 0.000 0.801 274 E CB 0.147 29.987 29.700 0.233 0.000 0.746 274 E HN 0.423 nan 8.360 nan 0.000 0.450 275 T N 0.351 115.006 114.554 0.167 0.000 2.732 275 T HA -0.123 8.898 4.350 7.785 0.000 0.261 275 T C 1.873 176.681 174.700 0.180 0.000 1.040 275 T CA 1.387 63.584 62.100 0.162 0.000 1.145 275 T CB -0.178 68.733 68.868 0.072 0.000 0.866 275 T HN 0.103 nan 8.240 nan 0.000 0.427 276 K N -0.358 120.035 120.400 -0.012 0.000 2.103 276 K HA -0.042 8.949 4.320 7.785 0.000 0.204 276 K C 1.333 177.882 176.600 -0.085 0.000 1.052 276 K CA 1.224 57.380 56.287 -0.219 0.000 0.945 276 K CB 0.045 32.143 32.500 -0.670 0.000 0.722 276 K HN 0.413 nan 8.250 nan 0.000 0.443 277 Y N -1.806 118.595 120.300 0.169 0.000 2.426 277 Y HA 0.305 9.526 4.550 7.784 0.000 0.249 277 Y C 1.000 176.643 175.900 -0.428 0.000 1.103 277 Y CA -0.022 58.046 58.100 -0.054 0.000 1.256 277 Y CB 1.303 39.748 38.460 -0.027 0.000 1.208 277 Y HN 0.176 nan 8.280 nan 0.000 0.519 278 G N 1.422 110.089 108.800 -0.220 0.000 2.142 278 G HA2 -0.259 8.372 3.960 7.785 0.000 0.225 278 G HA3 -0.259 8.372 3.960 7.785 0.000 0.225 278 G C -0.174 174.663 174.900 -0.105 0.000 1.015 278 G CA 0.045 44.957 45.100 -0.313 0.000 0.716 278 G HN 0.316 nan 8.290 nan 0.000 0.508 279 I N 2.080 122.662 120.570 0.019 0.000 2.276 279 I HA 0.265 9.106 4.170 7.785 0.000 0.290 279 I C -1.620 174.550 176.117 0.089 0.000 1.109 279 I CA -2.224 59.100 61.300 0.041 0.000 1.229 279 I CB 0.808 38.855 38.000 0.078 0.000 1.452 279 I HN -0.048 nan 8.210 nan 0.000 0.497 280 P HA -0.007 nan 4.420 nan 0.000 0.271 280 P C -0.769 176.626 177.300 0.159 0.000 1.216 280 P CA -0.055 63.084 63.100 0.065 0.000 0.776 280 P CB 0.718 32.398 31.700 -0.034 0.000 0.881 281 W N 3.939 125.230 121.300 -0.015 0.000 2.509 281 W HA 0.683 10.014 4.660 7.784 0.000 0.351 281 W C -1.613 174.887 176.519 -0.032 0.000 1.107 281 W CA -1.122 56.210 57.345 -0.020 0.000 1.264 281 W CB 0.751 30.207 29.460 -0.008 0.000 1.312 281 W HN 0.134 nan 8.180 nan 0.000 0.608 282 I N 2.531 123.294 120.570 0.322 0.000 2.785 282 I HA 0.204 9.045 4.170 7.785 0.000 0.302 282 I C -0.553 175.738 176.117 0.290 0.000 1.069 282 I CA -1.073 60.295 61.300 0.113 0.000 1.045 282 I CB 2.549 40.570 38.000 0.035 0.000 1.236 282 I HN 0.372 nan 8.210 nan 0.000 0.429 283 K N 5.118 125.613 120.400 0.159 0.000 2.201 283 K HA 0.398 9.388 4.320 7.785 0.000 0.278 283 K C -0.796 175.774 176.600 -0.049 0.000 1.027 283 K CA -0.241 56.124 56.287 0.130 0.000 0.909 283 K CB 0.667 33.229 32.500 0.103 0.000 1.062 283 K HN 0.687 nan 8.250 nan 0.000 0.465 284 C N 2.527 121.737 119.300 -0.150 0.000 2.667 284 C HA 0.810 9.941 4.460 7.785 0.000 0.323 284 C C -1.038 173.713 174.990 -0.399 0.000 1.214 284 C CA -0.936 57.879 59.018 -0.339 0.000 1.721 284 C CB 1.161 28.633 27.740 -0.448 0.000 2.275 284 C HN 0.894 nan 8.230 nan 0.000 0.491 285 N N 0.785 119.163 118.700 -0.535 0.000 2.594 285 N HA 0.454 9.865 4.740 7.785 0.000 0.280 285 N C -1.227 174.024 175.510 -0.432 0.000 1.156 285 N CA -0.540 52.268 53.050 -0.404 0.000 0.831 285 N CB 0.553 38.858 38.487 -0.304 0.000 1.379 285 N HN 0.619 nan 8.380 nan 0.000 0.536 286 F N 2.661 122.502 119.950 -0.182 0.000 2.713 286 F HA 0.474 9.671 4.527 7.784 0.000 0.294 286 F C 0.125 175.770 175.800 -0.259 0.000 1.152 286 F CA -0.260 57.620 58.000 -0.199 0.000 1.385 286 F CB 0.052 38.966 39.000 -0.143 0.000 0.981 286 F HN 0.372 nan 8.300 nan 0.000 0.514 287 I N 0.045 120.496 120.570 -0.199 0.000 2.418 287 I HA 0.583 9.424 4.170 7.785 0.000 0.287 287 I C 0.376 176.245 176.117 -0.412 0.000 1.008 287 I CA -0.552 60.526 61.300 -0.370 0.000 1.104 287 I CB 1.248 38.900 38.000 -0.580 0.000 1.264 287 I HN 0.215 nan 8.210 nan 0.000 0.438 288 G N 3.730 112.300 108.800 -0.383 0.000 2.705 288 G HA2 -0.126 8.505 3.960 7.785 0.000 0.686 288 G HA3 -0.126 8.505 3.960 7.785 0.000 0.686 288 G C 0.195 174.946 174.900 -0.249 0.000 1.285 288 G CA -0.524 44.375 45.100 -0.335 0.000 0.800 288 G HN 0.407 nan 8.290 nan 0.000 0.611 289 V N 1.307 121.124 119.914 -0.163 0.000 2.270 289 V HA -0.135 8.655 4.120 7.785 0.000 0.245 289 V C 2.665 178.699 176.094 -0.100 0.000 1.043 289 V CA 2.742 64.975 62.300 -0.111 0.000 1.014 289 V CB -0.637 31.214 31.823 0.047 0.000 0.645 289 V HN 0.813 nan 8.190 nan 0.000 0.447 290 D N 0.935 121.281 120.400 -0.091 0.000 2.116 290 D HA -0.166 9.145 4.640 7.785 0.000 0.193 290 D C 2.207 178.446 176.300 -0.102 0.000 0.998 290 D CA 1.836 55.791 54.000 -0.074 0.000 0.836 290 D CB -0.799 39.951 40.800 -0.084 0.000 0.951 290 D HN 0.478 nan 8.370 nan 0.000 0.449 291 G N 1.049 109.753 108.800 -0.160 0.000 2.476 291 G HA2 -0.241 8.390 3.960 7.785 0.000 0.218 291 G HA3 -0.241 8.390 3.960 7.785 0.000 0.218 291 G C 1.851 176.645 174.900 -0.177 0.000 1.164 291 G CA 0.712 45.698 45.100 -0.190 0.000 0.768 291 G HN 0.283 nan 8.290 nan 0.000 0.560 292 I N 1.037 121.503 120.570 -0.172 0.000 2.179 292 I HA -0.169 8.671 4.170 7.785 0.000 0.242 292 I C 2.988 179.082 176.117 -0.037 0.000 1.088 292 I CA 1.304 62.529 61.300 -0.125 0.000 1.357 292 I CB -0.463 37.340 38.000 -0.329 0.000 1.051 292 I HN 0.188 nan 8.210 nan 0.000 0.409 293 V N -1.175 118.737 119.914 -0.004 0.000 2.407 293 V HA -0.226 8.565 4.120 7.785 0.000 0.248 293 V C 2.064 178.189 176.094 0.052 0.000 1.055 293 V CA 1.666 64.017 62.300 0.084 0.000 1.049 293 V CB -1.006 30.876 31.823 0.098 0.000 0.662 293 V HN 0.426 nan 8.190 nan 0.000 0.455 294 E N 0.786 120.984 120.200 -0.003 0.000 2.047 294 E HA -0.133 8.887 4.350 7.785 0.000 0.191 294 E C 2.361 178.942 176.600 -0.031 0.000 0.987 294 E CA 1.836 58.225 56.400 -0.018 0.000 0.799 294 E CB -0.467 29.204 29.700 -0.048 0.000 0.752 294 E HN 0.658 nan 8.360 nan 0.000 0.449 295 T N 1.664 116.166 114.554 -0.087 0.000 2.759 295 T HA -0.133 8.888 4.350 7.785 0.000 0.269 295 T C 1.670 176.365 174.700 -0.007 0.000 1.042 295 T CA 0.724 62.735 62.100 -0.149 0.000 1.140 295 T CB -0.030 68.580 68.868 -0.431 0.000 0.864 295 T HN 0.010 nan 8.240 nan 0.000 0.455 296 L N 0.890 122.167 121.223 0.091 0.000 2.072 296 L HA 0.093 9.104 4.340 7.785 0.000 0.205 296 L C 2.562 179.524 176.870 0.153 0.000 1.079 296 L CA 1.588 56.536 54.840 0.179 0.000 0.752 296 L CB -0.986 41.209 42.059 0.227 0.000 0.906 296 L HN 0.253 nan 8.230 nan 0.000 0.436 297 R N -0.247 120.317 120.500 0.106 0.000 2.092 297 R HA -0.130 8.880 4.340 7.785 0.000 0.231 297 R C 1.775 178.127 176.300 0.087 0.000 1.119 297 R CA 1.151 57.307 56.100 0.093 0.000 0.970 297 R CB -0.225 30.114 30.300 0.065 0.000 0.864 297 R HN 0.414 nan 8.270 nan 0.000 0.440 298 D N 1.376 121.810 120.400 0.058 0.000 2.084 298 D HA -0.189 9.121 4.640 7.785 0.000 0.194 298 D C 2.072 178.422 176.300 0.084 0.000 0.990 298 D CA 1.768 55.794 54.000 0.043 0.000 0.826 298 D CB -0.253 40.547 40.800 -0.001 0.000 0.971 298 D HN 0.327 nan 8.370 nan 0.000 0.453 299 M N -0.203 119.464 119.600 0.112 0.000 2.229 299 M HA 0.099 9.250 4.480 7.785 0.000 0.264 299 M C 2.181 178.710 176.300 0.380 0.000 1.063 299 M CA 1.557 56.977 55.300 0.201 0.000 1.114 299 M CB -0.279 32.398 32.600 0.129 0.000 1.387 299 M HN -0.113 nan 8.290 nan 0.000 0.420 300 A N 1.501 124.513 122.820 0.320 0.000 2.015 300 A HA -0.064 8.927 4.320 7.785 0.000 0.219 300 A C 2.169 179.911 177.584 0.262 0.000 1.163 300 A CA 1.358 53.592 52.037 0.329 0.000 0.646 300 A CB -0.452 18.678 19.000 0.216 0.000 0.806 300 A HN 0.622 nan 8.150 nan 0.000 0.448 301 K N -0.885 119.625 120.400 0.183 0.000 2.167 301 K HA -0.042 8.948 4.320 7.785 0.000 0.203 301 K C 1.902 178.569 176.600 0.111 0.000 1.052 301 K CA 1.156 57.516 56.287 0.123 0.000 0.956 301 K CB -0.302 32.240 32.500 0.071 0.000 0.735 301 K HN 0.545 nan 8.250 nan 0.000 0.451 302 C N 0.532 119.902 119.300 0.116 0.000 2.457 302 C HA 0.048 9.179 4.460 7.785 0.000 0.278 302 C C 1.299 176.276 174.990 -0.021 0.000 1.309 302 C CA -0.188 58.840 59.018 0.017 0.000 1.735 302 C CB -0.662 27.063 27.740 -0.026 0.000 1.992 302 C HN 0.163 nan 8.230 nan 0.000 0.493 303 F N 1.982 122.002 119.950 0.117 0.000 2.406 303 F HA 0.182 9.379 4.527 7.784 0.000 0.327 303 F C 1.137 177.006 175.800 0.116 0.000 1.153 303 F CA 0.082 58.171 58.000 0.148 0.000 1.218 303 F CB 0.445 39.608 39.000 0.272 0.000 1.215 303 F HN 0.222 nan 8.300 nan 0.000 0.570 304 D N -1.267 119.317 120.400 0.307 0.000 2.249 304 D HA -0.049 9.262 4.640 7.785 0.000 0.205 304 D C -0.308 176.092 176.300 0.167 0.000 0.962 304 D CA 0.656 54.763 54.000 0.178 0.000 0.860 304 D CB -0.101 40.774 40.800 0.125 0.000 0.955 304 D HN 0.455 nan 8.370 nan 0.000 0.505 305 D N 0.040 120.563 120.400 0.204 0.000 2.350 305 D HA 0.088 9.398 4.640 7.785 0.000 0.245 305 D C -1.964 174.386 176.300 0.083 0.000 1.036 305 D CA -2.000 52.082 54.000 0.136 0.000 0.848 305 D CB 2.918 43.810 40.800 0.154 0.000 1.307 305 D HN -0.151 nan 8.370 nan 0.000 0.469 306 P HA -0.158 nan 4.420 nan 0.000 0.222 306 P C 1.038 178.339 177.300 0.002 0.000 1.147 306 P CA 0.951 64.068 63.100 0.028 0.000 0.790 306 P CB 0.550 32.266 31.700 0.026 0.000 0.780 307 E N 0.542 120.739 120.200 -0.005 0.000 2.028 307 E HA -0.134 8.887 4.350 7.785 0.000 0.190 307 E C 1.979 178.525 176.600 -0.090 0.000 0.984 307 E CA 0.734 57.110 56.400 -0.039 0.000 0.800 307 E CB -1.262 28.418 29.700 -0.033 0.000 0.758 307 E HN 0.098 nan 8.360 nan 0.000 0.448 308 L N 0.122 121.275 121.223 -0.118 0.000 2.141 308 L HA -0.064 8.946 4.340 7.785 0.000 0.209 308 L C 2.039 178.840 176.870 -0.116 0.000 1.094 308 L CA 1.924 56.631 54.840 -0.221 0.000 0.763 308 L CB -0.625 41.265 42.059 -0.282 0.000 0.908 308 L HN 0.124 nan 8.230 nan 0.000 0.437 309 T N -0.767 113.771 114.554 -0.027 0.000 2.857 309 T HA -0.163 8.857 4.350 7.785 0.000 0.266 309 T C 1.863 176.556 174.700 -0.011 0.000 1.048 309 T CA 1.452 63.556 62.100 0.007 0.000 1.139 309 T CB -0.079 68.811 68.868 0.037 0.000 0.874 309 T HN 0.304 nan 8.240 nan 0.000 0.455 310 K N 1.290 121.675 120.400 -0.025 0.000 2.002 310 K HA -0.120 8.871 4.320 7.785 0.000 0.209 310 K C 2.630 179.204 176.600 -0.043 0.000 1.048 310 K CA 1.109 57.380 56.287 -0.027 0.000 0.930 310 K CB -0.040 32.443 32.500 -0.029 0.000 0.714 310 K HN 0.314 nan 8.250 nan 0.000 0.438 311 R N -0.239 120.216 120.500 -0.075 0.000 2.096 311 R HA -0.092 8.918 4.340 7.785 0.000 0.235 311 R C 1.987 178.244 176.300 -0.072 0.000 1.127 311 R CA 1.754 57.800 56.100 -0.089 0.000 0.968 311 R CB -1.163 29.052 30.300 -0.141 0.000 0.861 311 R HN 0.072 nan 8.270 nan 0.000 0.440 312 T N 1.556 116.072 114.554 -0.062 0.000 2.635 312 T HA -0.132 8.889 4.350 7.785 0.000 0.267 312 T C 1.634 176.344 174.700 0.016 0.000 1.040 312 T CA 1.765 63.865 62.100 -0.001 0.000 1.156 312 T CB -0.163 68.730 68.868 0.042 0.000 0.863 312 T HN 0.311 nan 8.240 nan 0.000 0.430 313 E N 0.957 121.163 120.200 0.009 0.000 2.110 313 E HA -0.109 8.912 4.350 7.785 0.000 0.193 313 E C 2.238 178.834 176.600 -0.007 0.000 0.988 313 E CA 1.010 57.416 56.400 0.011 0.000 0.804 313 E CB -0.215 29.490 29.700 0.009 0.000 0.745 313 E HN 0.633 nan 8.360 nan 0.000 0.458 314 E N 0.311 120.498 120.200 -0.022 0.000 2.017 314 E HA -0.136 8.885 4.350 7.785 0.000 0.193 314 E C 2.162 178.733 176.600 -0.048 0.000 0.997 314 E CA 1.286 57.665 56.400 -0.035 0.000 0.804 314 E CB -0.192 29.483 29.700 -0.042 0.000 0.757 314 E HN 0.059 nan 8.360 nan 0.000 0.448 315 V N 1.422 121.307 119.914 -0.049 0.000 2.626 315 V HA -0.186 8.605 4.120 7.785 0.000 0.252 315 V C 1.902 177.938 176.094 -0.098 0.000 1.067 315 V CA 1.054 63.313 62.300 -0.068 0.000 1.081 315 V CB -0.332 31.465 31.823 -0.043 0.000 0.686 315 V HN 0.277 nan 8.190 nan 0.000 0.468 316 I N 0.641 121.190 120.570 -0.035 0.000 2.099 316 I HA -0.228 8.613 4.170 7.785 0.000 0.239 316 I C 2.807 178.863 176.117 -0.102 0.000 1.066 316 I CA 2.018 63.316 61.300 -0.005 0.000 1.324 316 I CB -1.467 36.579 38.000 0.077 0.000 1.037 316 I HN 0.440 nan 8.210 nan 0.000 0.401 317 A N 0.435 123.217 122.820 -0.063 0.000 1.851 317 A HA -0.291 8.700 4.320 7.785 0.000 0.216 317 A C 2.334 179.855 177.584 -0.104 0.000 1.195 317 A CA 2.108 54.109 52.037 -0.061 0.000 0.622 317 A CB -0.994 17.983 19.000 -0.037 0.000 0.831 317 A HN 0.541 nan 8.150 nan 0.000 0.444 318 E N -0.642 119.490 120.200 -0.114 0.000 2.114 318 E HA -0.285 8.736 4.350 7.785 0.000 0.199 318 E C 1.896 178.387 176.600 -0.181 0.000 1.008 318 E CA 1.673 58.000 56.400 -0.122 0.000 0.810 318 E CB -0.136 29.500 29.700 -0.107 0.000 0.739 318 E HN 0.571 nan 8.360 nan 0.000 0.456 319 E N 0.675 120.682 120.200 -0.321 0.000 2.015 319 E HA -0.161 8.860 4.350 7.785 0.000 0.191 319 E C 2.241 178.568 176.600 -0.455 0.000 0.991 319 E CA 1.076 57.143 56.400 -0.555 0.000 0.802 319 E CB -0.478 28.466 29.700 -1.260 0.000 0.759 319 E HN 0.480 nan 8.360 nan 0.000 0.447 320 I N 0.201 120.550 120.570 -0.370 0.000 2.546 320 I HA -0.142 8.699 4.170 7.785 0.000 0.255 320 I C 2.068 178.167 176.117 -0.031 0.000 1.163 320 I CA 1.145 62.395 61.300 -0.083 0.000 1.457 320 I CB -0.001 38.044 38.000 0.075 0.000 1.092 320 I HN -0.031 nan 8.210 nan 0.000 0.434 321 A N 1.072 123.857 122.820 -0.059 0.000 1.902 321 A HA -0.129 8.861 4.320 7.785 0.000 0.217 321 A C 2.512 180.080 177.584 -0.027 0.000 1.181 321 A CA 1.665 53.683 52.037 -0.032 0.000 0.623 321 A CB -1.058 17.919 19.000 -0.038 0.000 0.818 321 A HN 0.577 nan 8.150 nan 0.000 0.443 322 A N -0.085 122.710 122.820 -0.041 0.000 1.902 322 A HA -0.082 8.909 4.320 7.785 0.000 0.217 322 A C 1.871 179.458 177.584 0.006 0.000 1.181 322 A CA 1.680 53.705 52.037 -0.020 0.000 0.623 322 A CB -0.473 18.511 19.000 -0.026 0.000 0.818 322 A HN 0.394 nan 8.150 nan 0.000 0.443 323 I N -0.132 120.455 120.570 0.029 0.000 2.756 323 I HA -0.151 8.690 4.170 7.785 0.000 0.262 323 I C 2.356 178.506 176.117 0.055 0.000 1.225 323 I CA 1.128 62.479 61.300 0.085 0.000 1.472 323 I CB -1.333 36.770 38.000 0.172 0.000 1.094 323 I HN 0.368 nan 8.210 nan 0.000 0.454 324 Q N 1.682 121.501 119.800 0.031 0.000 1.956 324 Q HA -0.226 8.785 4.340 7.785 0.000 0.208 324 Q C 1.766 177.755 176.000 -0.017 0.000 0.998 324 Q CA 2.128 57.943 55.803 0.020 0.000 0.855 324 Q CB -0.374 28.372 28.738 0.013 0.000 0.928 324 Q HN 0.466 nan 8.270 nan 0.000 0.418 325 D N 0.024 120.403 120.400 -0.035 0.000 2.228 325 D HA -0.166 9.145 4.640 7.785 0.000 0.203 325 D C 1.137 177.368 176.300 -0.115 0.000 0.988 325 D CA 1.190 55.159 54.000 -0.053 0.000 0.864 325 D CB -0.032 40.740 40.800 -0.047 0.000 0.928 325 D HN 0.375 nan 8.370 nan 0.000 0.469 326 D N 0.562 120.837 120.400 -0.208 0.000 2.120 326 D HA -0.004 9.307 4.640 7.785 0.000 0.202 326 D C 2.527 178.360 176.300 -0.779 0.000 0.972 326 D CA 0.081 53.761 54.000 -0.534 0.000 0.837 326 D CB -0.153 40.301 40.800 -0.577 0.000 0.989 326 D HN 0.181 nan 8.370 nan 0.000 0.469 327 L N 0.996 122.014 121.223 -0.341 0.000 1.997 327 L HA -0.272 8.739 4.340 7.785 0.000 0.216 327 L C 2.044 178.919 176.870 0.009 0.000 1.074 327 L CA 1.486 56.325 54.840 -0.001 0.000 0.763 327 L CB -0.410 41.735 42.059 0.144 0.000 0.890 327 L HN -0.026 nan 8.230 nan 0.000 0.434 328 D N -1.291 119.096 120.400 -0.022 0.000 2.106 328 D HA -0.276 9.035 4.640 7.785 0.000 0.191 328 D C 1.852 178.150 176.300 -0.004 0.000 0.997 328 D CA 1.573 55.579 54.000 0.011 0.000 0.834 328 D CB -0.340 40.466 40.800 0.011 0.000 0.956 328 D HN 0.339 nan 8.370 nan 0.000 0.448 329 Y N 0.590 120.776 120.300 -0.190 0.000 2.114 329 Y HA -0.295 8.926 4.550 7.785 0.000 0.282 329 Y C 1.916 177.782 175.900 -0.057 0.000 1.165 329 Y CA 1.441 59.443 58.100 -0.163 0.000 1.148 329 Y CB -0.567 37.728 38.460 -0.275 0.000 0.972 329 Y HN -0.092 nan 8.280 nan 0.000 0.504 330 F N 0.974 120.693 119.950 -0.384 0.000 2.095 330 F HA -0.192 9.006 4.527 7.786 0.000 0.298 330 F C 2.318 177.857 175.800 -0.435 0.000 1.104 330 F CA 1.622 59.252 58.000 -0.617 0.000 1.232 330 F CB -1.117 37.435 39.000 -0.747 0.000 0.987 330 F HN 0.082 nan 8.300 nan 0.000 0.475 331 K N 0.198 120.606 120.400 0.012 0.000 2.057 331 K HA -0.228 8.763 4.320 7.785 0.000 0.207 331 K C 1.937 178.534 176.600 -0.006 0.000 1.049 331 K CA 1.778 58.109 56.287 0.073 0.000 0.931 331 K CB -0.426 32.143 32.500 0.115 0.000 0.714 331 K HN 0.428 nan 8.250 nan 0.000 0.440 332 E N 1.296 121.457 120.200 -0.066 0.000 2.208 332 E HA -0.137 8.884 4.350 7.785 0.000 0.193 332 E C 1.545 178.102 176.600 -0.072 0.000 0.988 332 E CA 1.043 57.409 56.400 -0.056 0.000 0.828 332 E CB 0.147 29.818 29.700 -0.049 0.000 0.763 332 E HN 0.049 nan 8.360 nan 0.000 0.478 333 K N -0.193 120.115 120.400 -0.154 0.000 2.243 333 K HA 0.027 9.017 4.320 7.785 0.000 0.201 333 K C 1.244 177.887 176.600 0.071 0.000 1.051 333 K CA 0.519 56.782 56.287 -0.040 0.000 0.970 333 K CB 0.273 32.707 32.500 -0.109 0.000 0.755 333 K HN 0.226 nan 8.250 nan 0.000 0.465 334 L N 1.321 122.540 121.223 -0.007 0.000 2.731 334 L HA 0.080 9.090 4.340 7.785 0.000 0.240 334 L C 0.479 177.372 176.870 0.039 0.000 1.120 334 L CA 0.372 55.215 54.840 0.006 0.000 0.913 334 L CB -0.033 42.012 42.059 -0.024 0.000 1.213 334 L HN 0.129 nan 8.230 nan 0.000 0.515 335 Q N -0.528 119.299 119.800 0.044 0.000 2.361 335 Q HA 0.401 9.411 4.340 7.785 0.000 0.276 335 Q C 0.998 177.016 176.000 0.029 0.000 1.022 335 Q CA 0.592 56.423 55.803 0.047 0.000 0.898 335 Q CB 0.305 29.070 28.738 0.044 0.000 1.246 335 Q HN 0.222 nan 8.270 nan 0.000 0.410 336 G N 1.481 110.296 108.800 0.024 0.000 2.195 336 G HA2 -0.258 8.372 3.960 7.785 0.000 0.246 336 G HA3 -0.258 8.372 3.960 7.785 0.000 0.246 336 G C -0.051 174.849 174.900 -0.000 0.000 0.984 336 G CA 0.157 45.264 45.100 0.012 0.000 0.633 336 G HN 0.545 nan 8.290 nan 0.000 0.525 337 K N 0.982 121.381 120.400 -0.001 0.000 2.107 337 K HA 0.573 9.563 4.320 7.785 0.000 0.251 337 K C 0.395 176.987 176.600 -0.013 0.000 1.012 337 K CA 0.481 56.756 56.287 -0.019 0.000 0.920 337 K CB 0.746 33.227 32.500 -0.031 0.000 1.033 337 K HN 0.352 nan 8.250 nan 0.000 0.478 338 T N -1.836 112.703 114.554 -0.024 0.000 2.861 338 T HA 0.698 9.718 4.350 7.785 0.000 0.287 338 T C -0.739 173.954 174.700 -0.012 0.000 1.003 338 T CA -1.050 61.035 62.100 -0.025 0.000 0.977 338 T CB 1.781 70.631 68.868 -0.029 0.000 0.996 338 T HN 0.567 nan 8.240 nan 0.000 0.448 339 A N 1.320 124.144 122.820 0.007 0.000 2.354 339 A HA 0.808 9.799 4.320 7.785 0.000 0.321 339 A C -0.339 177.204 177.584 -0.068 0.000 1.125 339 A CA -0.820 51.255 52.037 0.065 0.000 0.799 339 A CB 1.068 20.226 19.000 0.264 0.000 1.293 339 A HN 1.080 nan 8.150 nan 0.000 0.452 340 C N 0.549 119.708 119.300 -0.235 0.000 2.614 340 C HA 0.802 9.933 4.460 7.785 0.000 0.320 340 C C -0.529 174.205 174.990 -0.428 0.000 1.200 340 C CA -0.510 58.229 59.018 -0.465 0.000 1.700 340 C CB 0.671 27.825 27.740 -0.977 0.000 2.275 340 C HN 0.744 nan 8.230 nan 0.000 0.492 341 L N 2.132 123.208 121.223 -0.246 0.000 2.408 341 L HA 0.577 9.587 4.340 7.785 0.000 0.268 341 L C -1.349 175.570 176.870 0.081 0.000 0.986 341 L CA -0.637 54.181 54.840 -0.038 0.000 0.820 341 L CB 1.521 43.556 42.059 -0.039 0.000 1.303 341 L HN 0.607 nan 8.230 nan 0.000 0.411 342 Y N 3.216 123.548 120.300 0.052 0.000 2.325 342 Y HA 0.622 9.855 4.550 7.805 0.000 0.336 342 Y C -1.276 174.736 175.900 0.186 0.000 1.130 342 Y CA -0.791 57.388 58.100 0.131 0.000 1.264 342 Y CB 0.972 39.573 38.460 0.235 0.000 1.128 342 Y HN 0.331 nan 8.280 nan 0.000 0.469 343 V N 3.067 122.992 119.914 0.018 0.000 3.707 343 V HA 0.898 9.689 4.120 7.785 0.000 0.293 343 V C 0.682 176.701 176.094 -0.124 0.000 1.307 343 V CA -0.383 61.812 62.300 -0.175 0.000 0.971 343 V CB 1.006 32.694 31.823 -0.225 0.000 1.263 343 V HN 0.719 nan 8.190 nan 0.000 0.473 344 G N -1.692 107.031 108.800 -0.129 0.000 2.828 344 G HA2 0.514 9.145 3.960 7.785 0.000 0.244 344 G HA3 0.514 9.145 3.960 7.785 0.000 0.244 344 G C 0.999 175.436 174.900 -0.771 0.000 1.365 344 G CA 0.141 45.077 45.100 -0.273 0.000 1.041 344 G HN 1.423 nan 8.290 nan 0.000 0.560 345 G N -0.275 107.483 108.800 -1.736 0.000 3.366 345 G HA2 -0.397 8.233 3.960 7.785 0.000 0.399 345 G HA3 -0.397 8.233 3.960 7.785 0.000 0.399 345 G C 1.458 175.602 174.900 -1.259 0.000 2.151 345 G CA 2.376 46.681 45.100 -1.325 0.000 2.443 345 G HN 1.436 nan 8.290 nan 0.000 0.925 346 S N -2.021 113.214 115.700 -0.775 0.000 2.615 346 S HA 0.210 9.351 4.470 7.785 0.000 0.277 346 S C 1.631 176.213 174.600 -0.031 0.000 1.068 346 S CA 0.318 58.256 58.200 -0.438 0.000 1.315 346 S CB 0.504 63.567 63.200 -0.228 0.000 1.193 346 S HN 0.425 nan 8.310 nan 0.000 0.656 347 R N 1.357 121.867 120.500 0.017 0.000 2.276 347 R HA 0.159 9.170 4.340 7.785 0.000 0.203 347 R C 1.378 177.803 176.300 0.209 0.000 1.017 347 R CA 0.846 57.038 56.100 0.153 0.000 1.010 347 R CB -0.086 30.240 30.300 0.044 0.000 0.900 347 R HN 0.186 nan 8.270 nan 0.000 0.469 348 S N -0.533 115.359 115.700 0.320 0.000 2.453 348 S HA -0.121 9.020 4.470 7.785 0.000 0.231 348 S C 1.502 176.225 174.600 0.205 0.000 1.005 348 S CA 0.710 59.034 58.200 0.208 0.000 0.949 348 S CB -0.174 63.100 63.200 0.124 0.000 0.774 348 S HN 0.509 nan 8.310 nan 0.000 0.510 349 H N 1.337 120.525 119.070 0.196 0.000 2.388 349 H HA -0.043 9.183 4.556 7.784 0.000 0.304 349 H C 2.213 177.551 175.328 0.016 0.000 1.049 349 H CA 1.589 57.703 56.048 0.110 0.000 1.371 349 H CB 0.017 29.909 29.762 0.216 0.000 1.436 349 H HN 0.488 nan 8.280 nan 0.000 0.544 350 T N -0.799 113.673 114.554 -0.136 0.000 2.746 350 T HA -0.197 8.824 4.350 7.785 0.000 0.267 350 T C 1.661 176.086 174.700 -0.459 0.000 1.039 350 T CA 1.193 63.081 62.100 -0.353 0.000 1.142 350 T CB -1.032 67.670 68.868 -0.276 0.000 0.866 350 T HN 0.328 nan 8.240 nan 0.000 0.444 351 Y N 1.127 121.236 120.300 -0.318 0.000 2.680 351 Y HA 0.206 9.427 4.550 7.786 0.000 0.303 351 Y C 2.420 178.079 175.900 -0.401 0.000 1.166 351 Y CA 0.252 58.086 58.100 -0.444 0.000 1.344 351 Y CB -0.803 37.352 38.460 -0.509 0.000 1.002 351 Y HN 0.213 nan 8.280 nan 0.000 0.537 352 M N -0.503 118.965 119.600 -0.221 0.000 2.160 352 M HA -0.146 9.005 4.480 7.785 0.000 0.264 352 M C 2.119 178.283 176.300 -0.227 0.000 1.073 352 M CA 1.784 56.973 55.300 -0.186 0.000 1.142 352 M CB -0.409 32.129 32.600 -0.104 0.000 1.358 352 M HN 0.398 nan 8.290 nan 0.000 0.422 353 N N 1.035 119.579 118.700 -0.260 0.000 2.149 353 N HA -0.251 9.159 4.740 7.785 0.000 0.188 353 N C 1.618 176.953 175.510 -0.292 0.000 1.019 353 N CA 1.861 54.767 53.050 -0.241 0.000 0.857 353 N CB -0.435 37.910 38.487 -0.237 0.000 0.997 353 N HN 0.294 nan 8.380 nan 0.000 0.426 354 M N -0.552 118.812 119.600 -0.394 0.000 2.099 354 M HA 0.059 9.210 4.480 7.785 0.000 0.262 354 M C 1.489 177.361 176.300 -0.713 0.000 1.067 354 M CA 1.285 56.258 55.300 -0.546 0.000 1.124 354 M CB -0.217 32.029 32.600 -0.590 0.000 1.353 354 M HN 0.211 nan 8.290 nan 0.000 0.410 355 L N 0.328 121.285 121.223 -0.443 0.000 2.217 355 L HA -0.051 8.960 4.340 7.785 0.000 0.211 355 L C 2.139 178.878 176.870 -0.218 0.000 1.107 355 L CA 1.700 56.362 54.840 -0.297 0.000 0.783 355 L CB -0.898 41.077 42.059 -0.141 0.000 0.919 355 L HN 0.332 nan 8.230 nan 0.000 0.442 356 K N -1.182 119.097 120.400 -0.201 0.000 2.057 356 K HA -0.105 8.885 4.320 7.785 0.000 0.207 356 K C 2.119 178.661 176.600 -0.096 0.000 1.049 356 K CA 1.435 57.651 56.287 -0.118 0.000 0.931 356 K CB -0.178 32.261 32.500 -0.102 0.000 0.714 356 K HN 0.166 nan 8.250 nan 0.000 0.440 357 S N 0.457 116.047 115.700 -0.183 0.000 2.420 357 S HA -0.121 9.020 4.470 7.785 0.000 0.237 357 S C 1.052 175.726 174.600 0.123 0.000 1.023 357 S CA 1.143 59.283 58.200 -0.100 0.000 0.991 357 S CB -0.166 62.901 63.200 -0.221 0.000 0.792 357 S HN 0.194 nan 8.310 nan 0.000 0.488 358 F N 0.008 119.985 119.950 0.045 0.000 2.678 358 F HA 0.391 9.588 4.527 7.784 0.000 0.305 358 F C 1.778 177.591 175.800 0.021 0.000 1.090 358 F CA -0.655 57.373 58.000 0.047 0.000 1.272 358 F CB -0.747 38.274 39.000 0.036 0.000 1.060 358 F HN 0.224 nan 8.300 nan 0.000 0.576 359 G N 0.831 109.719 108.800 0.147 0.000 2.143 359 G HA2 -0.235 8.396 3.960 7.785 0.000 0.248 359 G HA3 -0.235 8.396 3.960 7.785 0.000 0.248 359 G C 0.001 174.934 174.900 0.055 0.000 0.991 359 G CA 0.179 45.326 45.100 0.079 0.000 0.689 359 G HN 0.161 nan 8.290 nan 0.000 0.522 360 V N 0.114 120.066 119.914 0.062 0.000 2.567 360 V HA 0.474 9.264 4.120 7.785 0.000 0.289 360 V C 0.250 176.329 176.094 -0.026 0.000 1.049 360 V CA -0.265 62.059 62.300 0.039 0.000 0.969 360 V CB 1.728 33.611 31.823 0.099 0.000 0.995 360 V HN 0.303 nan 8.190 nan 0.000 0.471 361 D N 1.921 122.289 120.400 -0.054 0.000 2.329 361 D HA 0.355 9.666 4.640 7.785 0.000 0.232 361 D C -0.382 175.811 176.300 -0.179 0.000 1.088 361 D CA -0.072 53.840 54.000 -0.147 0.000 0.835 361 D CB 0.988 41.700 40.800 -0.146 0.000 1.078 361 D HN 0.560 nan 8.370 nan 0.000 0.495 362 S N 3.085 118.648 115.700 -0.227 0.000 2.494 362 S HA 0.116 9.257 4.470 7.785 0.000 0.312 362 S C 1.492 175.921 174.600 -0.284 0.000 1.121 362 S CA -0.446 57.640 58.200 -0.189 0.000 1.068 362 S CB 0.385 63.498 63.200 -0.145 0.000 1.141 362 S HN 0.438 nan 8.310 nan 0.000 0.527 363 L N 2.766 123.883 121.223 -0.176 0.000 2.044 363 L HA 0.047 9.057 4.340 7.785 0.000 0.205 363 L C 0.514 177.413 176.870 0.049 0.000 1.075 363 L CA 0.864 55.691 54.840 -0.022 0.000 0.747 363 L CB -0.149 41.925 42.059 0.025 0.000 0.903 363 L HN 0.396 nan 8.230 nan 0.000 0.435 364 V N -1.217 118.676 119.914 -0.034 0.000 2.914 364 V HA 0.849 9.640 4.120 7.785 0.000 0.314 364 V C -0.405 175.637 176.094 -0.087 0.000 1.084 364 V CA -0.527 61.748 62.300 -0.041 0.000 0.963 364 V CB 1.738 33.534 31.823 -0.045 0.000 1.025 364 V HN 0.190 nan 8.190 nan 0.000 0.432 365 A N 1.681 124.459 122.820 -0.070 0.000 2.599 365 A HA 1.044 10.035 4.320 7.785 0.000 0.290 365 A C -0.392 177.141 177.584 -0.084 0.000 1.101 365 A CA -0.062 51.924 52.037 -0.085 0.000 0.674 365 A CB 1.948 20.888 19.000 -0.100 0.000 1.277 365 A HN 1.929 nan 8.150 nan 0.000 0.419 366 G N -1.080 107.653 108.800 -0.111 0.000 2.338 366 G HA2 0.613 9.243 3.960 7.785 0.000 0.295 366 G HA3 0.613 9.243 3.960 7.785 0.000 0.295 366 G C -1.888 172.985 174.900 -0.045 0.000 1.461 366 G CA -0.626 44.414 45.100 -0.100 0.000 0.817 366 G HN 0.813 nan 8.290 nan 0.000 0.556 367 F N 0.074 120.230 119.950 0.343 0.000 2.538 367 F HA 0.507 9.706 4.527 7.787 0.000 0.325 367 F C 1.457 177.469 175.800 0.354 0.000 1.066 367 F CA -1.172 56.928 58.000 0.167 0.000 0.946 367 F CB 2.255 41.157 39.000 -0.164 0.000 1.199 367 F HN 0.712 nan 8.300 nan 0.000 0.473 368 E N 0.325 120.759 120.200 0.390 0.000 2.472 368 E HA 0.029 9.049 4.350 7.785 0.000 0.196 368 E C 0.328 177.182 176.600 0.422 0.000 1.033 368 E CA 0.597 57.255 56.400 0.430 0.000 0.886 368 E CB -0.044 29.802 29.700 0.242 0.000 0.944 368 E HN 0.630 nan 8.360 nan 0.000 0.492 369 F N -1.378 118.741 119.950 0.281 0.000 3.031 369 F HA 0.585 9.781 4.527 7.782 0.000 0.365 369 F C 0.231 176.192 175.800 0.267 0.000 1.128 369 F CA -0.675 57.467 58.000 0.236 0.000 1.068 369 F CB 0.008 39.111 39.000 0.172 0.000 1.280 369 F HN 0.020 nan 8.300 nan 0.000 0.529 370 A N 1.084 123.850 122.820 -0.090 0.000 2.287 370 A HA 0.643 9.634 4.320 7.785 0.000 0.273 370 A C -0.593 177.231 177.584 0.401 0.000 1.091 370 A CA -0.173 51.865 52.037 0.003 0.000 0.817 370 A CB 0.059 18.787 19.000 -0.454 0.000 1.069 370 A HN 0.473 nan 8.150 nan 0.000 0.492 371 H N -0.384 118.788 119.070 0.169 0.000 2.500 371 H HA 0.415 9.642 4.556 7.784 0.000 0.351 371 H C 1.316 176.839 175.328 0.325 0.000 1.281 371 H CA -0.751 55.424 56.048 0.212 0.000 1.368 371 H CB 0.452 30.290 29.762 0.128 0.000 1.616 371 H HN 0.697 nan 8.280 nan 0.000 0.591 372 R N 0.360 121.064 120.500 0.340 0.000 2.091 372 R HA -0.132 8.879 4.340 7.785 0.000 0.238 372 R C 1.173 177.624 176.300 0.252 0.000 1.136 372 R CA 1.783 58.036 56.100 0.254 0.000 0.959 372 R CB -0.188 30.170 30.300 0.098 0.000 0.856 372 R HN 0.772 nan 8.270 nan 0.000 0.437 373 D N 0.309 120.825 120.400 0.194 0.000 2.384 373 D HA -0.157 9.154 4.640 7.785 0.000 0.222 373 D C 0.464 176.806 176.300 0.071 0.000 0.976 373 D CA 0.816 54.884 54.000 0.113 0.000 0.915 373 D CB -0.147 40.733 40.800 0.134 0.000 0.896 373 D HN 0.242 nan 8.370 nan 0.000 0.523 374 D N -0.405 120.091 120.400 0.160 0.000 2.333 374 D HA -0.034 9.276 4.640 7.785 0.000 0.208 374 D C 1.330 177.588 176.300 -0.069 0.000 0.984 374 D CA 0.446 54.499 54.000 0.089 0.000 0.873 374 D CB -0.024 40.792 40.800 0.026 0.000 0.935 374 D HN 0.403 nan 8.370 nan 0.000 0.521 375 Y N 1.385 121.694 120.300 0.015 0.000 2.239 375 Y HA 0.085 9.305 4.550 7.783 0.000 0.293 375 Y C 2.291 178.092 175.900 -0.166 0.000 1.126 375 Y CA 0.448 58.505 58.100 -0.071 0.000 1.128 375 Y CB 0.122 38.562 38.460 -0.033 0.000 1.066 375 Y HN -0.149 nan 8.280 nan 0.000 0.516 376 E N -0.211 120.031 120.200 0.070 0.000 2.041 376 E HA 0.387 9.408 4.350 7.785 0.000 0.202 376 E C 0.486 177.010 176.600 -0.126 0.000 0.945 376 E CA 0.593 56.971 56.400 -0.036 0.000 0.878 376 E CB -0.085 29.608 29.700 -0.012 0.000 0.886 376 E HN 0.272 nan 8.360 nan 0.000 0.487 377 G N -1.133 107.605 108.800 -0.103 0.000 2.601 377 G HA2 0.220 8.851 3.960 7.785 0.000 0.291 377 G HA3 0.220 8.851 3.960 7.785 0.000 0.291 377 G C -0.626 174.230 174.900 -0.073 0.000 1.456 377 G CA -0.776 44.230 45.100 -0.157 0.000 0.804 377 G HN -0.004 nan 8.290 nan 0.000 0.499 378 R N -0.057 120.405 120.500 -0.063 0.000 2.249 378 R HA -0.095 8.916 4.340 7.785 0.000 0.230 378 R C 2.373 178.690 176.300 0.028 0.000 1.121 378 R CA 1.654 57.770 56.100 0.027 0.000 0.997 378 R CB 0.076 30.413 30.300 0.062 0.000 0.867 378 R HN 0.733 nan 8.270 nan 0.000 0.465 379 E N 0.449 120.645 120.200 -0.007 0.000 2.058 379 E HA -0.174 8.847 4.350 7.785 0.000 0.194 379 E C 1.851 178.454 176.600 0.005 0.000 0.997 379 E CA 1.018 57.414 56.400 -0.008 0.000 0.801 379 E CB -0.801 28.883 29.700 -0.027 0.000 0.746 379 E HN 0.151 nan 8.360 nan 0.000 0.450 380 V N 1.498 121.416 119.914 0.005 0.000 3.284 380 V HA -0.147 8.643 4.120 7.785 0.000 0.273 380 V C 2.062 178.174 176.094 0.030 0.000 1.178 380 V CA 0.714 63.022 62.300 0.013 0.000 1.177 380 V CB -0.660 31.170 31.823 0.011 0.000 0.793 380 V HN 0.226 nan 8.190 nan 0.000 0.536 381 I N 0.265 120.859 120.570 0.041 0.000 2.439 381 I HA -0.085 8.756 4.170 7.785 0.000 0.251 381 I C 0.067 176.208 176.117 0.040 0.000 1.139 381 I CA 0.918 62.249 61.300 0.052 0.000 1.438 381 I CB -1.275 36.764 38.000 0.065 0.000 1.085 381 I HN 0.368 nan 8.210 nan 0.000 0.427 382 P HA -0.156 nan 4.420 nan 0.000 0.218 382 P C 0.145 177.457 177.300 0.020 0.000 1.146 382 P CA 1.343 64.457 63.100 0.023 0.000 0.820 382 P CB -0.157 31.553 31.700 0.016 0.000 0.778 383 T N -0.919 113.646 114.554 0.019 0.000 3.355 383 T HA 0.557 9.577 4.350 7.785 0.000 0.376 383 T C 0.082 174.793 174.700 0.018 0.000 1.683 383 T CA -0.234 61.875 62.100 0.015 0.000 1.269 383 T CB -0.258 68.615 68.868 0.008 0.000 1.158 383 T HN -0.104 nan 8.240 nan 0.000 0.703 384 I N 1.440 122.023 120.570 0.021 0.000 2.571 384 I HA 0.314 9.155 4.170 7.785 0.000 0.289 384 I C -0.186 175.941 176.117 0.017 0.000 1.115 384 I CA -0.855 60.458 61.300 0.022 0.000 1.045 384 I CB 2.736 40.757 38.000 0.036 0.000 1.238 384 I HN 0.224 nan 8.210 nan 0.000 0.424 385 K N 7.738 128.144 120.400 0.010 0.000 2.278 385 K HA 0.398 9.389 4.320 7.785 0.000 0.289 385 K C -0.840 175.767 176.600 0.012 0.000 1.080 385 K CA -0.177 56.116 56.287 0.010 0.000 0.934 385 K CB 0.134 32.637 32.500 0.006 0.000 1.093 385 K HN 0.478 nan 8.250 nan 0.000 0.459 386 I N 4.883 125.463 120.570 0.017 0.000 2.307 386 I HA 0.132 8.973 4.170 7.785 0.000 0.287 386 I C -0.229 175.902 176.117 0.023 0.000 1.054 386 I CA -0.555 60.757 61.300 0.021 0.000 1.218 386 I CB 0.966 38.983 38.000 0.028 0.000 1.398 386 I HN 0.611 nan 8.210 nan 0.000 0.475 387 D N 4.313 124.726 120.400 0.022 0.000 3.234 387 D HA 0.285 9.596 4.640 7.785 0.000 0.281 387 D C 1.740 178.057 176.300 0.029 0.000 1.405 387 D CA 0.602 54.617 54.000 0.025 0.000 1.115 387 D CB -0.392 40.421 40.800 0.023 0.000 1.198 387 D HN 0.413 nan 8.370 nan 0.000 0.388 388 A N 0.938 123.774 122.820 0.027 0.000 4.404 388 A HA -0.354 8.636 4.320 7.785 0.000 0.367 388 A C -0.155 177.453 177.584 0.040 0.000 1.591 388 A CA 2.387 54.441 52.037 0.028 0.000 0.807 388 A CB -1.899 17.108 19.000 0.011 0.000 1.524 388 A HN 0.534 nan 8.150 nan 0.000 0.540 389 D N -2.195 118.231 120.400 0.043 0.000 4.030 389 D HA 0.103 9.414 4.640 7.785 0.000 0.222 389 D C -0.078 176.251 176.300 0.048 0.000 1.288 389 D CA 1.299 55.333 54.000 0.056 0.000 0.865 389 D CB -1.142 39.697 40.800 0.066 0.000 0.486 389 D HN 1.385 nan 8.370 nan 0.000 0.213 390 S N 2.228 117.962 115.700 0.056 0.000 4.659 390 S HA 0.192 9.333 4.470 7.785 0.000 0.164 390 S C -0.331 174.344 174.600 0.125 0.000 1.222 390 S CA 0.247 58.473 58.200 0.043 0.000 1.108 390 S CB 0.537 63.714 63.200 -0.039 0.000 2.063 390 S HN 0.385 nan 8.310 nan 0.000 0.747 391 K N 2.454 122.949 120.400 0.159 0.000 3.095 391 K HA 0.331 9.321 4.320 7.785 0.000 0.220 391 K C -0.185 176.543 176.600 0.214 0.000 1.216 391 K CA -0.475 55.983 56.287 0.285 0.000 1.167 391 K CB -0.711 31.915 32.500 0.210 0.000 1.199 391 K HN 0.450 nan 8.250 nan 0.000 0.458 392 N N 2.299 121.082 118.700 0.138 0.000 2.807 392 N HA 0.164 9.575 4.740 7.785 0.000 0.259 392 N C -1.153 174.418 175.510 0.102 0.000 1.149 392 N CA -0.216 52.897 53.050 0.104 0.000 1.042 392 N CB 0.190 38.723 38.487 0.077 0.000 1.367 392 N HN 0.335 nan 8.380 nan 0.000 0.516 393 I N 1.317 121.958 120.570 0.119 0.000 2.739 393 I HA 0.178 9.018 4.170 7.785 0.000 0.288 393 I C -2.541 173.619 176.117 0.071 0.000 1.582 393 I CA -1.466 59.874 61.300 0.068 0.000 1.035 393 I CB 2.975 41.025 38.000 0.084 0.000 1.432 393 I HN 0.272 nan 8.210 nan 0.000 0.444 394 P HA 0.155 nan 4.420 nan 0.000 0.271 394 P C -1.104 176.223 177.300 0.046 0.000 1.218 394 P CA 0.020 63.124 63.100 0.008 0.000 0.780 394 P CB 1.033 32.712 31.700 -0.036 0.000 0.901 395 E N 1.838 122.106 120.200 0.113 0.000 2.212 395 E HA 0.488 9.509 4.350 7.785 0.000 0.268 395 E C -0.774 175.881 176.600 0.092 0.000 0.902 395 E CA -0.990 55.516 56.400 0.176 0.000 0.779 395 E CB 1.985 31.806 29.700 0.201 0.000 1.172 395 E HN 0.458 nan 8.360 nan 0.000 0.409 396 I N 1.162 121.788 120.570 0.093 0.000 2.693 396 I HA 0.427 9.268 4.170 7.785 0.000 0.303 396 I C -0.882 175.264 176.117 0.049 0.000 1.025 396 I CA -0.310 61.017 61.300 0.046 0.000 1.086 396 I CB 2.218 40.227 38.000 0.016 0.000 1.268 396 I HN 0.292 nan 8.210 nan 0.000 0.440 397 T N 5.756 120.325 114.554 0.024 0.000 2.861 397 T HA 0.465 9.485 4.350 7.785 0.000 0.287 397 T C -0.891 173.808 174.700 -0.002 0.000 1.003 397 T CA -0.421 61.690 62.100 0.018 0.000 0.977 397 T CB 1.727 70.605 68.868 0.016 0.000 0.996 397 T HN 0.410 nan 8.240 nan 0.000 0.448 398 V N 1.664 121.575 119.914 -0.004 0.000 2.427 398 V HA 0.868 9.659 4.120 7.785 0.000 0.286 398 V C -0.110 175.959 176.094 -0.041 0.000 1.034 398 V CA -0.522 61.761 62.300 -0.028 0.000 0.893 398 V CB 1.310 33.120 31.823 -0.021 0.000 0.982 398 V HN 0.854 nan 8.190 nan 0.000 0.452 399 T N 5.063 119.579 114.554 -0.063 0.000 2.876 399 T HA 0.536 9.557 4.350 7.785 0.000 0.289 399 T C -2.800 171.835 174.700 -0.108 0.000 1.014 399 T CA -1.290 60.763 62.100 -0.078 0.000 0.986 399 T CB 1.818 70.648 68.868 -0.063 0.000 1.021 399 T HN 0.625 nan 8.240 nan 0.000 0.458 400 P HA -0.114 nan 4.420 nan 0.000 0.258 400 P C -0.440 176.811 177.300 -0.081 0.000 1.136 400 P CA 0.424 63.412 63.100 -0.187 0.000 0.761 400 P CB 0.263 31.687 31.700 -0.460 0.000 0.724 401 D N 4.315 124.712 120.400 -0.005 0.000 2.374 401 D HA -0.047 9.264 4.640 7.785 0.000 0.240 401 D C 1.188 177.569 176.300 0.135 0.000 1.229 401 D CA -0.030 53.996 54.000 0.043 0.000 0.895 401 D CB 0.385 41.239 40.800 0.090 0.000 1.046 401 D HN 0.340 nan 8.370 nan 0.000 0.498 402 E N 2.330 122.568 120.200 0.064 0.000 2.233 402 E HA -0.290 8.731 4.350 7.785 0.000 0.210 402 E C 1.193 177.852 176.600 0.098 0.000 1.046 402 E CA 1.495 57.933 56.400 0.063 0.000 0.844 402 E CB 0.275 29.994 29.700 0.032 0.000 0.741 402 E HN 0.679 nan 8.360 nan 0.000 0.465 403 Q N -0.870 118.999 119.800 0.116 0.000 2.390 403 Q HA 0.022 9.033 4.340 7.785 0.000 0.216 403 Q C 0.901 176.980 176.000 0.133 0.000 0.916 403 Q CA 0.294 56.163 55.803 0.109 0.000 0.911 403 Q CB 0.562 29.352 28.738 0.088 0.000 1.035 403 Q HN 0.057 nan 8.270 nan 0.000 0.541 404 K N -0.672 119.849 120.400 0.201 0.000 2.478 404 K HA 0.125 9.116 4.320 7.785 0.000 0.205 404 K C -0.725 176.056 176.600 0.301 0.000 1.033 404 K CA -0.252 56.168 56.287 0.222 0.000 1.091 404 K CB 0.741 33.397 32.500 0.260 0.000 0.844 404 K HN 0.015 nan 8.250 nan 0.000 0.507 405 Y N 3.510 123.911 120.300 0.168 0.000 2.299 405 Y HA 0.175 9.395 4.550 7.784 0.000 0.326 405 Y C -0.096 175.856 175.900 0.086 0.000 1.164 405 Y CA -0.474 57.699 58.100 0.122 0.000 1.234 405 Y CB 0.654 39.144 38.460 0.051 0.000 1.219 405 Y HN 0.075 nan 8.280 nan 0.000 0.497 406 R N 3.693 123.813 120.500 -0.634 0.000 2.692 406 R HA 0.574 9.585 4.340 7.785 0.000 0.269 406 R C -2.384 173.658 176.300 -0.430 0.000 1.030 406 R CA -1.013 54.906 56.100 -0.301 0.000 0.882 406 R CB 0.948 31.162 30.300 -0.143 0.000 1.250 406 R HN 0.520 nan 8.270 nan 0.000 0.465 407 V N 2.580 122.394 119.914 -0.166 0.000 2.334 407 V HA 0.182 8.973 4.120 7.785 0.000 0.281 407 V C 1.076 177.114 176.094 -0.093 0.000 1.016 407 V CA -0.328 61.904 62.300 -0.114 0.000 0.832 407 V CB 1.371 33.202 31.823 0.013 0.000 0.999 407 V HN 0.670 nan 8.190 nan 0.000 0.439 408 V N 6.436 126.283 119.914 -0.112 0.000 3.129 408 V HA 0.403 9.194 4.120 7.785 0.000 0.259 408 V C 0.570 176.599 176.094 -0.108 0.000 1.116 408 V CA 1.009 63.243 62.300 -0.110 0.000 1.127 408 V CB -0.364 31.380 31.823 -0.131 0.000 0.742 408 V HN 0.622 nan 8.190 nan 0.000 0.474 409 I N 1.117 121.633 120.570 -0.091 0.000 2.534 409 I HA 0.510 9.350 4.170 7.785 0.000 0.288 409 I C -2.587 173.501 176.117 -0.048 0.000 1.077 409 I CA -2.025 59.228 61.300 -0.077 0.000 1.051 409 I CB 2.242 40.188 38.000 -0.090 0.000 1.234 409 I HN 0.031 nan 8.210 nan 0.000 0.425 410 P HA 0.168 nan 4.420 nan 0.000 0.318 410 P C -0.413 176.875 177.300 -0.020 0.000 1.309 410 P CA -0.263 62.826 63.100 -0.018 0.000 0.736 410 P CB 0.520 32.213 31.700 -0.011 0.000 1.440 411 E N 0.087 120.279 120.200 -0.014 0.000 2.422 411 E HA 0.026 9.047 4.350 7.785 0.000 0.267 411 E C -0.107 176.483 176.600 -0.016 0.000 1.466 411 E CA 0.228 56.619 56.400 -0.016 0.000 1.767 411 E CB -1.141 28.553 29.700 -0.011 0.000 1.471 411 E HN 0.311 nan 8.360 nan 0.000 0.446 412 D N -0.887 119.502 120.400 -0.019 0.000 2.395 412 D HA 0.006 9.316 4.640 7.785 0.000 0.213 412 D C 0.948 177.231 176.300 -0.028 0.000 1.110 412 D CA -0.155 53.834 54.000 -0.019 0.000 0.835 412 D CB 0.358 41.151 40.800 -0.013 0.000 0.965 412 D HN 0.063 nan 8.370 nan 0.000 0.505 413 K N 0.815 121.193 120.400 -0.036 0.000 2.057 413 K HA -0.078 8.913 4.320 7.785 0.000 0.206 413 K C 2.394 178.964 176.600 -0.050 0.000 1.050 413 K CA 1.430 57.687 56.287 -0.050 0.000 0.935 413 K CB -0.303 32.164 32.500 -0.056 0.000 0.715 413 K HN 0.218 nan 8.250 nan 0.000 0.439 414 V N 1.743 121.633 119.914 -0.040 0.000 2.667 414 V HA -0.186 8.605 4.120 7.785 0.000 0.252 414 V C 1.850 177.925 176.094 -0.032 0.000 1.065 414 V CA 1.737 64.014 62.300 -0.038 0.000 1.083 414 V CB -0.419 31.386 31.823 -0.030 0.000 0.692 414 V HN 0.189 nan 8.190 nan 0.000 0.468 415 E N -0.127 120.057 120.200 -0.026 0.000 2.268 415 E HA -0.200 8.820 4.350 7.785 0.000 0.195 415 E C 2.081 178.667 176.600 -0.023 0.000 0.995 415 E CA 1.165 57.553 56.400 -0.021 0.000 0.836 415 E CB 0.163 29.855 29.700 -0.014 0.000 0.763 415 E HN 0.806 nan 8.360 nan 0.000 0.491 416 E N 0.903 121.084 120.200 -0.032 0.000 2.015 416 E HA -0.126 8.895 4.350 7.785 0.000 0.191 416 E C 2.031 178.606 176.600 -0.042 0.000 0.991 416 E CA 0.733 57.112 56.400 -0.035 0.000 0.802 416 E CB -0.237 29.435 29.700 -0.048 0.000 0.759 416 E HN 0.114 nan 8.360 nan 0.000 0.447 417 L N 0.450 121.640 121.223 -0.056 0.000 2.081 417 L HA -0.249 8.762 4.340 7.785 0.000 0.212 417 L C 2.139 178.982 176.870 -0.046 0.000 1.080 417 L CA 1.390 56.193 54.840 -0.062 0.000 0.754 417 L CB -0.333 41.683 42.059 -0.072 0.000 0.893 417 L HN 0.003 nan 8.230 nan 0.000 0.433 418 K N 0.103 120.480 120.400 -0.038 0.000 1.965 418 K HA -0.060 8.931 4.320 7.785 0.000 0.214 418 K C 0.956 177.542 176.600 -0.024 0.000 1.042 418 K CA 1.032 57.301 56.287 -0.029 0.000 0.950 418 K CB -0.177 32.309 32.500 -0.024 0.000 0.733 418 K HN -0.110 nan 8.250 nan 0.000 0.441 419 K N 0.470 120.859 120.400 -0.020 0.000 2.312 419 K HA 0.178 9.169 4.320 7.785 0.000 0.287 419 K C -0.238 176.354 176.600 -0.013 0.000 1.062 419 K CA 0.792 57.071 56.287 -0.013 0.000 0.934 419 K CB 0.748 33.243 32.500 -0.009 0.000 1.027 419 K HN 0.413 nan 8.250 nan 0.000 0.478 420 A N 3.299 126.113 122.820 -0.011 0.000 3.153 420 A HA -0.197 8.794 4.320 7.785 0.000 0.265 420 A C 0.932 178.507 177.584 -0.015 0.000 1.212 420 A CA 1.422 53.454 52.037 -0.008 0.000 1.018 420 A CB -2.386 16.614 19.000 -0.001 0.000 1.130 420 A HN 1.726 nan 8.150 nan 0.000 0.873 421 G N -1.801 106.986 108.800 -0.022 0.000 2.393 421 G HA2 0.034 8.665 3.960 7.785 0.000 0.299 421 G HA3 0.034 8.665 3.960 7.785 0.000 0.299 421 G C 0.152 175.030 174.900 -0.037 0.000 0.990 421 G CA 0.394 45.475 45.100 -0.032 0.000 1.118 421 G HN 1.856 nan 8.290 nan 0.000 0.513 422 V N 2.091 121.982 119.914 -0.038 0.000 2.421 422 V HA 0.182 8.972 4.120 7.785 0.000 0.271 422 V C -0.619 175.432 176.094 -0.072 0.000 1.031 422 V CA -0.663 61.611 62.300 -0.042 0.000 1.032 422 V CB 0.981 32.785 31.823 -0.031 0.000 1.009 422 V HN 0.422 nan 8.190 nan 0.000 0.477 423 P HA 0.042 nan 4.420 nan 0.000 0.238 423 P C -0.286 176.891 177.300 -0.206 0.000 1.649 423 P CA -0.341 62.688 63.100 -0.117 0.000 0.960 423 P CB 0.016 31.673 31.700 -0.071 0.000 1.911 424 L N 1.296 122.388 121.223 -0.219 0.000 2.530 424 L HA 0.008 9.019 4.340 7.785 0.000 0.273 424 L C 1.099 177.664 176.870 -0.509 0.000 1.141 424 L CA 1.065 55.723 54.840 -0.304 0.000 0.905 424 L CB -0.726 41.210 42.059 -0.206 0.000 1.202 424 L HN 0.222 nan 8.230 nan 0.000 0.473 425 S N 1.213 116.333 115.700 -0.965 0.000 3.533 425 S HA -0.181 8.960 4.470 7.785 0.000 0.347 425 S C 0.300 174.236 174.600 -1.106 0.000 1.101 425 S CA 1.035 58.202 58.200 -1.721 0.000 1.009 425 S CB -1.669 60.926 63.200 -1.008 0.000 0.916 425 S HN 0.812 nan 8.310 nan 0.000 0.496 426 S N -0.148 115.090 115.700 -0.769 0.000 2.569 426 S HA 0.841 9.982 4.470 7.785 0.000 0.280 426 S C -1.141 173.422 174.600 -0.061 0.000 1.111 426 S CA -0.897 57.129 58.200 -0.290 0.000 0.887 426 S CB 2.199 65.288 63.200 -0.185 0.000 1.095 426 S HN 0.407 nan 8.310 nan 0.000 0.476 427 Y N 0.134 120.353 120.300 -0.135 0.000 2.504 427 Y HA 0.682 9.902 4.550 7.784 0.000 0.344 427 Y C -0.567 175.263 175.900 -0.117 0.000 1.023 427 Y CA -0.937 57.081 58.100 -0.137 0.000 1.020 427 Y CB 2.011 40.280 38.460 -0.317 0.000 1.282 427 Y HN 1.127 nan 8.280 nan 0.000 0.454 428 G N 2.854 111.452 108.800 -0.337 0.000 2.805 428 G HA2 0.495 9.126 3.960 7.785 0.000 0.283 428 G HA3 0.495 9.126 3.960 7.785 0.000 0.283 428 G C 0.166 174.695 174.900 -0.618 0.000 1.508 428 G CA -0.098 44.777 45.100 -0.374 0.000 1.042 428 G HN 1.058 nan 8.290 nan 0.000 0.543 429 G N 1.470 109.769 108.800 -0.835 0.000 2.134 429 G HA2 0.020 8.651 3.960 7.785 0.000 0.524 429 G HA3 0.020 8.651 3.960 7.785 0.000 0.524 429 G C 1.319 175.730 174.900 -0.815 0.000 1.387 429 G CA 0.490 44.989 45.100 -1.002 0.000 1.102 429 G HN 0.570 nan 8.290 nan 0.000 0.569 430 M N -1.147 118.041 119.600 -0.686 0.000 2.160 430 M HA 0.078 9.229 4.480 7.785 0.000 0.264 430 M C 2.665 178.836 176.300 -0.215 0.000 1.073 430 M CA 1.292 56.233 55.300 -0.598 0.000 1.142 430 M CB -0.165 32.246 32.600 -0.316 0.000 1.358 430 M HN 0.564 nan 8.290 nan 0.000 0.422 431 M N 0.261 119.792 119.600 -0.114 0.000 2.144 431 M HA -0.307 8.843 4.480 7.785 0.000 0.260 431 M C 1.862 178.132 176.300 -0.050 0.000 1.067 431 M CA 1.787 57.061 55.300 -0.043 0.000 1.095 431 M CB -0.212 32.381 32.600 -0.013 0.000 1.365 431 M HN 0.181 nan 8.290 nan 0.000 0.406 432 K N -0.247 120.101 120.400 -0.086 0.000 2.127 432 K HA -0.229 8.761 4.320 7.785 0.000 0.208 432 K C 1.640 178.227 176.600 -0.023 0.000 1.047 432 K CA 1.861 58.108 56.287 -0.066 0.000 0.927 432 K CB -0.138 32.301 32.500 -0.102 0.000 0.716 432 K HN 0.575 nan 8.250 nan 0.000 0.450 433 E N -0.218 119.984 120.200 0.003 0.000 2.216 433 E HA 0.049 9.070 4.350 7.785 0.000 0.192 433 E C 0.529 177.157 176.600 0.047 0.000 0.973 433 E CA -0.183 56.248 56.400 0.051 0.000 0.851 433 E CB 0.216 30.009 29.700 0.154 0.000 0.804 433 E HN 0.225 nan 8.360 nan 0.000 0.477 434 M N 2.546 122.172 119.600 0.043 0.000 2.251 434 M HA -0.039 9.112 4.480 7.785 0.000 0.343 434 M C 0.586 176.946 176.300 0.099 0.000 1.245 434 M CA -0.139 55.202 55.300 0.069 0.000 1.061 434 M CB 0.359 32.990 32.600 0.051 0.000 1.723 434 M HN 0.167 nan 8.290 nan 0.000 0.449 435 H N 2.084 121.142 119.070 -0.020 0.000 2.767 435 H HA 0.170 9.395 4.556 7.782 0.000 0.380 435 H C -0.823 174.493 175.328 -0.021 0.000 1.409 435 H CA -0.175 55.862 56.048 -0.020 0.000 1.463 435 H CB 0.123 29.874 29.762 -0.018 0.000 1.514 435 H HN 0.522 nan 8.280 nan 0.000 0.619 436 D N -0.614 119.673 120.400 -0.190 0.000 2.255 436 D HA 0.304 9.615 4.640 7.785 0.000 0.249 436 D C 0.715 176.737 176.300 -0.463 0.000 1.078 436 D CA 1.066 54.917 54.000 -0.248 0.000 0.896 436 D CB 0.958 41.675 40.800 -0.138 0.000 1.194 436 D HN 0.896 nan 8.370 nan 0.000 0.429 437 G N 1.752 110.373 108.800 -0.298 0.000 2.248 437 G HA2 -0.209 8.422 3.960 7.785 0.000 0.263 437 G HA3 -0.209 8.422 3.960 7.785 0.000 0.263 437 G C 0.249 175.004 174.900 -0.242 0.000 1.082 437 G CA 0.215 45.163 45.100 -0.253 0.000 0.863 437 G HN 0.553 nan 8.290 nan 0.000 0.495 438 T N -0.475 113.996 114.554 -0.138 0.000 2.885 438 T HA 0.718 9.739 4.350 7.785 0.000 0.285 438 T C -0.099 174.614 174.700 0.020 0.000 1.019 438 T CA -0.490 61.646 62.100 0.061 0.000 1.010 438 T CB 0.919 69.872 68.868 0.140 0.000 1.022 438 T HN 0.388 nan 8.240 nan 0.000 0.466 439 I N 3.860 124.447 120.570 0.029 0.000 2.441 439 I HA 0.531 9.372 4.170 7.785 0.000 0.295 439 I C -0.986 175.126 176.117 -0.009 0.000 0.994 439 I CA -0.547 60.753 61.300 0.001 0.000 1.144 439 I CB 1.706 39.707 38.000 0.002 0.000 1.314 439 I HN 0.388 nan 8.210 nan 0.000 0.445 440 L N 6.803 128.013 121.223 -0.022 0.000 2.333 440 L HA 0.602 9.612 4.340 7.785 0.000 0.280 440 L C -0.704 176.151 176.870 -0.026 0.000 1.004 440 L CA -0.100 54.725 54.840 -0.025 0.000 0.820 440 L CB 1.337 43.378 42.059 -0.031 0.000 1.247 440 L HN 0.373 nan 8.230 nan 0.000 0.416 441 I N 1.649 122.215 120.570 -0.006 0.000 2.439 441 I HA 0.316 9.157 4.170 7.785 0.000 0.285 441 I C -0.779 175.383 176.117 0.076 0.000 1.021 441 I CA -0.555 60.751 61.300 0.010 0.000 1.091 441 I CB 1.926 39.907 38.000 -0.033 0.000 1.242 441 I HN 0.529 nan 8.210 nan 0.000 0.439 442 D N 4.988 125.460 120.400 0.120 0.000 2.210 442 D HA 0.202 9.513 4.640 7.785 0.000 0.249 442 D C 0.095 176.580 176.300 0.310 0.000 1.078 442 D CA -0.021 54.114 54.000 0.224 0.000 0.875 442 D CB 0.908 41.743 40.800 0.059 0.000 1.175 442 D HN 0.721 nan 8.370 nan 0.000 0.440 443 D N 3.131 123.754 120.400 0.372 0.000 2.720 443 D HA -0.308 9.003 4.640 7.785 0.000 0.229 443 D C -0.308 176.146 176.300 0.257 0.000 1.198 443 D CA 0.313 54.547 54.000 0.390 0.000 0.639 443 D CB -1.119 39.896 40.800 0.359 0.000 1.003 443 D HN 0.461 nan 8.370 nan 0.000 0.411 444 M N 1.235 120.883 119.600 0.080 0.000 2.284 444 M HA 0.007 9.158 4.480 7.785 0.000 0.351 444 M C 0.104 176.399 176.300 -0.008 0.000 1.443 444 M CA 0.149 55.379 55.300 -0.116 0.000 1.031 444 M CB 0.140 32.432 32.600 -0.513 0.000 1.893 444 M HN 0.472 nan 8.290 nan 0.000 0.456 445 N N 2.667 121.407 118.700 0.067 0.000 2.491 445 N HA 0.129 9.540 4.740 7.785 0.000 0.279 445 N C 0.732 176.276 175.510 0.056 0.000 1.236 445 N CA -0.517 52.607 53.050 0.124 0.000 0.982 445 N CB 0.064 38.660 38.487 0.181 0.000 1.194 445 N HN 0.634 nan 8.380 nan 0.000 0.582 446 H N -1.058 118.054 119.070 0.071 0.000 2.422 446 H HA -0.232 9.003 4.556 7.799 0.000 0.298 446 H C 1.370 176.702 175.328 0.007 0.000 1.098 446 H CA 1.962 58.029 56.048 0.032 0.000 1.315 446 H CB -0.145 29.644 29.762 0.046 0.000 1.382 446 H HN 0.790 nan 8.280 nan 0.000 0.523 447 H N 0.624 119.583 119.070 -0.186 0.000 2.270 447 H HA -0.116 3.952 4.556 -0.814 0.000 0.299 447 H C 1.328 176.511 175.328 -0.242 0.000 1.077 447 H CA 1.686 57.592 56.048 -0.236 0.000 1.294 447 H CB 0.141 29.784 29.762 -0.198 0.000 1.371 447 H HN 0.397 nan 8.280 nan 0.000 0.491 448 D N 1.096 121.267 120.400 -0.382 0.000 2.123 448 D HA -0.206 9.105 4.640 7.785 0.000 0.196 448 D C 2.531 178.657 176.300 -0.289 0.000 0.992 448 D CA 1.804 55.600 54.000 -0.339 0.000 0.833 448 D CB -0.498 40.244 40.800 -0.097 0.000 0.954 448 D HN 0.647 nan 8.370 nan 0.000 0.455 449 M N -0.204 119.238 119.600 -0.263 0.000 2.229 449 M HA 0.012 9.163 4.480 7.785 0.000 0.264 449 M C 1.719 177.840 176.300 -0.299 0.000 1.063 449 M CA 1.461 56.616 55.300 -0.243 0.000 1.114 449 M CB -0.349 32.057 32.600 -0.323 0.000 1.387 449 M HN -0.177 nan 8.290 nan 0.000 0.420 450 E N 0.927 120.901 120.200 -0.378 0.000 2.204 450 E HA -0.144 8.877 4.350 7.785 0.000 0.195 450 E C 2.303 178.770 176.600 -0.222 0.000 0.990 450 E CA 1.612 57.836 56.400 -0.293 0.000 0.821 450 E CB -0.077 29.445 29.700 -0.296 0.000 0.750 450 E HN 0.641 nan 8.360 nan 0.000 0.477 451 V N -1.336 118.425 119.914 -0.254 0.000 2.599 451 V HA -0.083 8.708 4.120 7.785 0.000 0.245 451 V C 2.075 178.105 176.094 -0.107 0.000 1.046 451 V CA 0.736 62.936 62.300 -0.167 0.000 1.065 451 V CB 0.091 31.810 31.823 -0.174 0.000 0.703 451 V HN 0.008 nan 8.190 nan 0.000 0.464 452 V N 0.260 120.117 119.914 -0.095 0.000 2.392 452 V HA -0.192 8.598 4.120 7.785 0.000 0.249 452 V C 2.608 178.710 176.094 0.013 0.000 1.059 452 V CA 2.379 64.674 62.300 -0.009 0.000 1.051 452 V CB -0.599 31.256 31.823 0.054 0.000 0.658 452 V HN 0.509 nan 8.190 nan 0.000 0.455 453 L N -0.430 120.769 121.223 -0.040 0.000 2.007 453 L HA -0.038 8.973 4.340 7.785 0.000 0.205 453 L C 2.525 179.368 176.870 -0.045 0.000 1.073 453 L CA 1.866 56.680 54.840 -0.043 0.000 0.744 453 L CB -1.060 40.912 42.059 -0.145 0.000 0.898 453 L HN 0.279 nan 8.230 nan 0.000 0.435 454 E N -0.378 119.784 120.200 -0.062 0.000 2.106 454 E HA -0.231 8.789 4.350 7.785 0.000 0.192 454 E C 2.133 178.713 176.600 -0.034 0.000 0.984 454 E CA 1.026 57.398 56.400 -0.047 0.000 0.806 454 E CB 0.277 29.947 29.700 -0.051 0.000 0.750 454 E HN 0.176 nan 8.360 nan 0.000 0.458 455 K N 0.037 120.417 120.400 -0.034 0.000 1.991 455 K HA -0.045 8.945 4.320 7.785 0.000 0.207 455 K C 2.049 178.641 176.600 -0.013 0.000 1.045 455 K CA 0.838 57.111 56.287 -0.022 0.000 0.937 455 K CB -0.323 32.163 32.500 -0.024 0.000 0.720 455 K HN 0.048 nan 8.250 nan 0.000 0.438 456 L N 0.361 121.580 121.223 -0.006 0.000 2.446 456 L HA 0.097 9.108 4.340 7.785 0.000 0.219 456 L C -0.291 176.581 176.870 0.004 0.000 1.116 456 L CA 0.454 55.297 54.840 0.005 0.000 0.844 456 L CB -0.339 41.731 42.059 0.020 0.000 0.970 456 L HN 0.084 nan 8.230 nan 0.000 0.457 457 K N -0.138 120.261 120.400 -0.003 0.000 3.689 457 K HA -0.160 8.830 4.320 7.785 0.000 0.276 457 K C -2.277 174.316 176.600 -0.012 0.000 0.932 457 K CA 0.316 56.594 56.287 -0.015 0.000 0.758 457 K CB -1.622 30.864 32.500 -0.025 0.000 1.500 457 K HN 0.240 nan 8.250 nan 0.000 0.448 458 P HA 0.082 nan 4.420 nan 0.000 0.275 458 P C -0.033 177.237 177.300 -0.049 0.000 1.228 458 P CA -0.204 62.897 63.100 0.002 0.000 0.786 458 P CB 0.928 32.662 31.700 0.055 0.000 0.927 459 D N 1.060 121.413 120.400 -0.079 0.000 2.234 459 D HA 0.012 9.322 4.640 7.785 0.000 0.205 459 D C 0.617 176.803 176.300 -0.190 0.000 0.962 459 D CA 1.683 55.598 54.000 -0.143 0.000 0.855 459 D CB 0.198 40.919 40.800 -0.132 0.000 0.951 459 D HN 0.422 nan 8.370 nan 0.000 0.500 460 M N -1.214 118.290 119.600 -0.161 0.000 2.575 460 M HA 0.419 9.570 4.480 7.785 0.000 0.284 460 M C -1.234 174.925 176.300 -0.235 0.000 1.253 460 M CA -0.766 54.366 55.300 -0.281 0.000 0.861 460 M CB 2.695 35.015 32.600 -0.467 0.000 1.733 460 M HN -0.285 nan 8.290 nan 0.000 0.462 461 F N 1.916 121.592 119.950 -0.458 0.000 2.579 461 F HA 0.672 9.868 4.527 7.781 0.000 0.325 461 F C -1.810 173.810 175.800 -0.299 0.000 1.162 461 F CA -1.038 56.816 58.000 -0.245 0.000 0.946 461 F CB 1.152 40.075 39.000 -0.129 0.000 1.211 461 F HN 0.477 nan 8.300 nan 0.000 0.447 462 F N 5.705 125.675 119.950 0.034 0.000 2.329 462 F HA 0.602 9.799 4.527 7.782 0.000 0.362 462 F C 0.573 176.480 175.800 0.178 0.000 1.113 462 F CA -0.043 58.013 58.000 0.094 0.000 1.212 462 F CB 0.443 39.440 39.000 -0.005 0.000 1.509 462 F HN 0.578 nan 8.300 nan 0.000 0.546 463 A N 1.898 124.964 122.820 0.409 0.000 2.523 463 A HA 0.955 9.946 4.320 7.785 0.000 0.212 463 A C 0.816 178.588 177.584 0.315 0.000 2.213 463 A CA 0.394 52.663 52.037 0.387 0.000 1.683 463 A CB -0.308 18.979 19.000 0.479 0.000 1.169 463 A HN 0.646 nan 8.150 nan 0.000 0.397 464 G N -1.582 107.336 108.800 0.196 0.000 2.827 464 G HA2 0.437 9.067 3.960 7.785 0.000 0.202 464 G HA3 0.437 9.067 3.960 7.785 0.000 0.202 464 G C 0.208 175.094 174.900 -0.024 0.000 1.185 464 G CA 0.485 45.630 45.100 0.074 0.000 0.920 464 G HN 0.671 nan 8.290 nan 0.000 0.550 465 I N 0.185 120.718 120.570 -0.061 0.000 2.729 465 I HA 0.302 9.143 4.170 7.785 0.000 0.256 465 I C 2.511 178.646 176.117 0.029 0.000 1.115 465 I CA 1.172 62.457 61.300 -0.025 0.000 1.446 465 I CB -0.237 37.791 38.000 0.047 0.000 1.176 465 I HN 0.492 nan 8.210 nan 0.000 0.446 466 K N 0.988 121.422 120.400 0.057 0.000 2.059 466 K HA -0.254 8.737 4.320 7.785 0.000 0.212 466 K C 1.884 178.550 176.600 0.110 0.000 1.050 466 K CA 2.298 58.644 56.287 0.099 0.000 0.927 466 K CB -0.401 32.148 32.500 0.082 0.000 0.714 466 K HN 0.601 nan 8.250 nan 0.000 0.447 467 E N 1.076 121.323 120.200 0.079 0.000 2.158 467 E HA -0.175 8.845 4.350 7.785 0.000 0.191 467 E C 1.923 178.517 176.600 -0.009 0.000 0.982 467 E CA 0.797 57.239 56.400 0.070 0.000 0.823 467 E CB -0.105 29.674 29.700 0.132 0.000 0.766 467 E HN 0.075 nan 8.360 nan 0.000 0.468 468 K N 1.551 121.885 120.400 -0.110 0.000 2.032 468 K HA -0.211 8.780 4.320 7.785 0.000 0.218 468 K C 1.567 177.976 176.600 -0.319 0.000 1.054 468 K CA 1.932 58.039 56.287 -0.300 0.000 0.941 468 K CB -0.625 31.511 32.500 -0.608 0.000 0.720 468 K HN 0.168 nan 8.250 nan 0.000 0.449 469 F N -0.037 119.955 119.950 0.071 0.000 2.802 469 F HA 0.072 9.269 4.527 7.783 0.000 0.300 469 F C 1.895 177.727 175.800 0.053 0.000 1.168 469 F CA 0.106 58.144 58.000 0.064 0.000 1.433 469 F CB -0.158 38.875 39.000 0.055 0.000 1.115 469 F HN -0.120 nan 8.300 nan 0.000 0.582 470 V N -0.063 119.938 119.914 0.146 0.000 2.331 470 V HA -0.209 8.582 4.120 7.785 0.000 0.242 470 V C 2.286 178.409 176.094 0.048 0.000 1.034 470 V CA 1.464 63.826 62.300 0.102 0.000 1.027 470 V CB -0.355 31.525 31.823 0.095 0.000 0.667 470 V HN 0.202 nan 8.190 nan 0.000 0.457 471 I N -0.340 120.218 120.570 -0.020 0.000 2.142 471 I HA -0.288 8.553 4.170 7.785 0.000 0.240 471 I C 2.639 178.768 176.117 0.019 0.000 1.078 471 I CA 1.587 62.839 61.300 -0.080 0.000 1.343 471 I CB -0.435 37.466 38.000 -0.165 0.000 1.046 471 I HN 0.293 nan 8.210 nan 0.000 0.405 472 Q N 1.105 120.963 119.800 0.097 0.000 2.152 472 Q HA -0.268 8.743 4.340 7.785 0.000 0.206 472 Q C 2.089 178.267 176.000 0.296 0.000 0.985 472 Q CA 1.837 57.799 55.803 0.265 0.000 0.863 472 Q CB -0.143 28.755 28.738 0.265 0.000 0.904 472 Q HN 0.232 nan 8.270 nan 0.000 0.422 473 K N -1.625 118.896 120.400 0.201 0.000 2.211 473 K HA -0.028 8.963 4.320 7.785 0.000 0.203 473 K C 1.474 178.149 176.600 0.125 0.000 1.050 473 K CA 1.192 57.575 56.287 0.159 0.000 0.945 473 K CB -0.219 32.358 32.500 0.129 0.000 0.732 473 K HN 0.316 nan 8.250 nan 0.000 0.451 474 G N -1.380 107.476 108.800 0.093 0.000 3.141 474 G HA2 0.189 8.820 3.960 7.785 0.000 0.218 474 G HA3 0.189 8.820 3.960 7.785 0.000 0.218 474 G C 0.644 175.573 174.900 0.048 0.000 1.170 474 G CA 0.213 45.344 45.100 0.052 0.000 0.769 474 G HN 0.414 nan 8.290 nan 0.000 0.546 475 G N -1.575 107.295 108.800 0.116 0.000 2.131 475 G HA2 -0.071 8.559 3.960 7.785 0.000 0.223 475 G HA3 -0.071 8.559 3.960 7.785 0.000 0.223 475 G C -0.013 174.710 174.900 -0.294 0.000 0.990 475 G CA 0.237 45.378 45.100 0.068 0.000 0.671 475 G HN 1.281 nan 8.290 nan 0.000 0.521 476 V N 0.108 119.856 119.914 -0.276 0.000 2.823 476 V HA 0.813 9.604 4.120 7.785 0.000 0.312 476 V C 0.046 175.948 176.094 -0.320 0.000 1.072 476 V CA -1.077 60.987 62.300 -0.393 0.000 0.937 476 V CB 1.831 33.535 31.823 -0.199 0.000 1.013 476 V HN 0.885 nan 8.190 nan 0.000 0.430 477 L N 5.636 126.615 121.223 -0.407 0.000 2.454 477 L HA 0.451 9.462 4.340 7.785 0.000 0.284 477 L C 0.390 177.165 176.870 -0.158 0.000 1.139 477 L CA 0.997 55.706 54.840 -0.219 0.000 0.911 477 L CB 0.639 42.511 42.059 -0.311 0.000 1.262 477 L HN 0.745 nan 8.230 nan 0.000 0.453 478 S N 4.997 120.661 115.700 -0.061 0.000 2.411 478 S HA 0.361 9.501 4.470 7.785 0.000 0.294 478 S C -0.106 174.438 174.600 -0.095 0.000 1.115 478 S CA -0.672 57.483 58.200 -0.075 0.000 1.071 478 S CB -0.115 63.065 63.200 -0.034 0.000 0.967 478 S HN 0.446 nan 8.310 nan 0.000 0.488 479 K N 3.924 124.215 120.400 -0.182 0.000 2.183 479 K HA 0.196 9.187 4.320 7.785 0.000 0.274 479 K C 0.161 176.849 176.600 0.147 0.000 1.009 479 K CA -0.455 55.831 56.287 -0.002 0.000 0.888 479 K CB 1.458 34.003 32.500 0.075 0.000 1.078 479 K HN 0.758 nan 8.250 nan 0.000 0.459 480 Q N 3.940 123.821 119.800 0.134 0.000 2.314 480 Q HA 0.187 9.198 4.340 7.785 0.000 0.257 480 Q C 0.194 176.337 176.000 0.239 0.000 0.975 480 Q CA -0.132 55.773 55.803 0.170 0.000 0.933 480 Q CB 0.695 29.471 28.738 0.063 0.000 1.195 480 Q HN 0.550 nan 8.270 nan 0.000 0.426 481 L N 2.399 123.749 121.223 0.212 0.000 2.478 481 L HA -0.085 8.926 4.340 7.785 0.000 0.223 481 L C 2.102 179.055 176.870 0.139 0.000 1.140 481 L CA 0.338 55.208 54.840 0.051 0.000 0.842 481 L CB -0.427 41.450 42.059 -0.303 0.000 0.953 481 L HN 0.799 nan 8.230 nan 0.000 0.452 482 H N -0.523 118.585 119.070 0.064 0.000 2.284 482 H HA 0.008 9.233 4.556 7.782 0.000 0.304 482 H C 1.513 176.762 175.328 -0.131 0.000 1.069 482 H CA 1.641 57.688 56.048 -0.003 0.000 1.327 482 H CB 0.317 30.075 29.762 -0.007 0.000 1.387 482 H HN 0.226 nan 8.280 nan 0.000 0.498 483 S N 0.591 116.308 115.700 0.030 0.000 2.574 483 S HA 0.060 9.201 4.470 7.785 0.000 0.242 483 S C -0.286 174.246 174.600 -0.114 0.000 0.982 483 S CA -0.330 57.780 58.200 -0.150 0.000 0.977 483 S CB 0.062 63.176 63.200 -0.144 0.000 0.814 483 S HN 0.347 nan 8.310 nan 0.000 0.464 484 Y N 1.571 121.877 120.300 0.011 0.000 4.860 484 Y HA -0.298 8.921 4.550 7.783 0.000 0.229 484 Y C 0.387 176.319 175.900 0.053 0.000 0.996 484 Y CA 0.533 58.708 58.100 0.124 0.000 1.957 484 Y CB -2.795 35.561 38.460 -0.173 0.000 1.564 484 Y HN 0.411 nan 8.280 nan 0.000 0.553 485 D N -1.361 118.978 120.400 -0.102 0.000 2.689 485 D HA -0.267 9.044 4.640 7.785 0.000 0.237 485 D C -0.103 176.100 176.300 -0.162 0.000 1.148 485 D CA 1.303 55.093 54.000 -0.349 0.000 0.656 485 D CB -1.406 39.403 40.800 0.015 0.000 1.050 485 D HN 0.676 nan 8.370 nan 0.000 0.426 486 Y N -3.247 117.135 120.300 0.137 0.000 4.177 486 Y HA -0.325 8.896 4.550 7.784 0.000 0.227 486 Y C 0.959 176.899 175.900 0.067 0.000 1.154 486 Y CA 0.880 59.028 58.100 0.080 0.000 1.887 486 Y CB -2.117 36.380 38.460 0.062 0.000 1.594 486 Y HN 0.307 nan 8.280 nan 0.000 0.668 487 N N -0.008 118.745 118.700 0.088 0.000 2.906 487 N HA 0.848 10.259 4.740 7.785 0.000 0.327 487 N C 0.426 175.865 175.510 -0.118 0.000 1.344 487 N CA 0.018 53.062 53.050 -0.010 0.000 0.823 487 N CB 2.184 40.635 38.487 -0.060 0.000 1.351 487 N HN 0.333 nan 8.380 nan 0.000 0.604 488 G N 0.144 108.808 108.800 -0.226 0.000 2.352 488 G HA2 0.214 8.845 3.960 7.785 0.000 0.303 488 G HA3 0.214 8.845 3.960 7.785 0.000 0.303 488 G C -3.285 171.610 174.900 -0.009 0.000 1.593 488 G CA -0.873 44.136 45.100 -0.151 0.000 0.963 488 G HN 0.297 nan 8.290 nan 0.000 0.685 489 P HA 0.377 nan 4.420 nan 0.000 0.272 489 P C -0.400 176.901 177.300 0.002 0.000 1.223 489 P CA -0.259 62.872 63.100 0.052 0.000 0.784 489 P CB 0.508 32.280 31.700 0.119 0.000 0.923 490 Y N -0.265 119.939 120.300 -0.161 0.000 2.467 490 Y HA 0.453 9.674 4.550 7.784 0.000 0.250 490 Y C 1.204 177.013 175.900 -0.151 0.000 1.155 490 Y CA -0.670 57.306 58.100 -0.207 0.000 1.249 490 Y CB -0.457 37.687 38.460 -0.527 0.000 1.146 490 Y HN 0.305 nan 8.280 nan 0.000 0.524 491 A N -0.292 122.565 122.820 0.061 0.000 2.252 491 A HA 0.683 9.674 4.320 7.785 0.000 0.305 491 A C 0.968 178.554 177.584 0.002 0.000 1.097 491 A CA 0.182 52.218 52.037 -0.002 0.000 0.849 491 A CB -0.242 18.778 19.000 0.033 0.000 1.142 491 A HN 0.541 nan 8.150 nan 0.000 0.499 492 G N -1.331 107.430 108.800 -0.065 0.000 2.894 492 G HA2 -0.142 8.488 3.960 7.785 0.000 0.247 492 G HA3 -0.142 8.488 3.960 7.785 0.000 0.247 492 G C 0.182 175.032 174.900 -0.083 0.000 1.442 492 G CA 0.349 45.383 45.100 -0.111 0.000 0.897 492 G HN 0.947 nan 8.290 nan 0.000 0.550 493 F N -0.181 119.815 119.950 0.077 0.000 2.202 493 F HA -0.031 9.167 4.527 7.785 0.000 0.301 493 F C 2.836 178.718 175.800 0.137 0.000 1.082 493 F CA 2.013 60.074 58.000 0.101 0.000 1.313 493 F CB -0.284 38.765 39.000 0.082 0.000 1.024 493 F HN 0.404 nan 8.300 nan 0.000 0.495 494 R N 0.481 121.167 120.500 0.310 0.000 2.119 494 R HA 0.056 9.067 4.340 7.785 0.000 0.222 494 R C 2.400 178.848 176.300 0.246 0.000 1.088 494 R CA 1.162 57.412 56.100 0.250 0.000 0.984 494 R CB -1.103 29.318 30.300 0.202 0.000 0.884 494 R HN 0.267 nan 8.270 nan 0.000 0.447 495 G N -0.703 108.222 108.800 0.209 0.000 2.394 495 G HA2 -0.165 8.465 3.960 7.785 0.000 0.215 495 G HA3 -0.165 8.465 3.960 7.785 0.000 0.215 495 G C 1.388 176.475 174.900 0.313 0.000 1.165 495 G CA 0.714 45.959 45.100 0.242 0.000 0.784 495 G HN 0.194 nan 8.290 nan 0.000 0.535 496 V N 1.211 121.271 119.914 0.243 0.000 2.363 496 V HA -0.250 8.541 4.120 7.785 0.000 0.254 496 V C 3.108 179.481 176.094 0.465 0.000 1.074 496 V CA 2.085 64.569 62.300 0.306 0.000 1.069 496 V CB -0.399 31.564 31.823 0.233 0.000 0.659 496 V HN 0.449 nan 8.190 nan 0.000 0.455 497 V N -2.661 117.540 119.914 0.478 0.000 3.235 497 V HA 0.062 8.853 4.120 7.785 0.000 0.259 497 V C 1.911 178.340 176.094 0.559 0.000 1.133 497 V CA 1.406 64.094 62.300 0.646 0.000 1.128 497 V CB -0.552 31.589 31.823 0.531 0.000 0.757 497 V HN 0.484 nan 8.190 nan 0.000 0.469 498 N N 0.444 119.406 118.700 0.436 0.000 2.197 498 N HA -0.008 9.402 4.740 7.785 0.000 0.184 498 N C 1.657 177.403 175.510 0.393 0.000 1.030 498 N CA 1.695 54.996 53.050 0.418 0.000 0.851 498 N CB -0.431 38.283 38.487 0.378 0.000 1.003 498 N HN 0.545 nan 8.380 nan 0.000 0.430 499 F N 2.274 122.350 119.950 0.210 0.000 2.065 499 F HA -0.151 9.046 4.527 7.783 0.000 0.298 499 F C 2.301 177.956 175.800 -0.242 0.000 1.112 499 F CA 1.890 59.777 58.000 -0.189 0.000 1.212 499 F CB -0.862 37.960 39.000 -0.298 0.000 0.975 499 F HN 0.031 nan 8.300 nan 0.000 0.476 500 G N -1.261 107.250 108.800 -0.482 0.000 2.491 500 G HA2 -0.350 8.281 3.960 7.785 0.000 0.218 500 G HA3 -0.350 8.281 3.960 7.785 0.000 0.218 500 G C 1.335 175.406 174.900 -1.382 0.000 1.180 500 G CA 1.503 45.528 45.100 -1.790 0.000 0.774 500 G HN 0.538 nan 8.290 nan 0.000 0.562 501 H N -0.001 118.746 119.070 -0.538 0.000 2.363 501 H HA 0.100 9.326 4.556 7.784 0.000 0.301 501 H C 2.654 177.950 175.328 -0.054 0.000 1.074 501 H CA 1.106 57.135 56.048 -0.032 0.000 1.354 501 H CB 0.176 30.062 29.762 0.206 0.000 1.397 501 H HN 0.187 nan 8.280 nan 0.000 0.516 502 E N 0.436 120.671 120.200 0.058 0.000 2.130 502 E HA -0.168 8.852 4.350 7.785 0.000 0.196 502 E C 2.158 178.725 176.600 -0.055 0.000 0.998 502 E CA 0.677 57.108 56.400 0.051 0.000 0.806 502 E CB -0.303 29.474 29.700 0.128 0.000 0.738 502 E HN 0.299 nan 8.360 nan 0.000 0.459 503 L N 0.230 121.297 121.223 -0.261 0.000 2.007 503 L HA -0.127 8.883 4.340 7.785 0.000 0.205 503 L C 2.445 179.208 176.870 -0.177 0.000 1.073 503 L CA 1.121 55.786 54.840 -0.291 0.000 0.744 503 L CB -0.745 40.992 42.059 -0.537 0.000 0.898 503 L HN -0.104 nan 8.230 nan 0.000 0.435 504 V N 0.643 120.446 119.914 -0.184 0.000 2.233 504 V HA -0.441 8.349 4.120 7.785 0.000 0.252 504 V C 2.383 178.572 176.094 0.157 0.000 1.063 504 V CA 2.333 64.636 62.300 0.005 0.000 1.032 504 V CB -1.054 30.823 31.823 0.091 0.000 0.645 504 V HN 0.549 nan 8.190 nan 0.000 0.446 505 N N 0.752 119.557 118.700 0.175 0.000 2.060 505 N HA -0.158 9.253 4.740 7.785 0.000 0.195 505 N C 1.797 177.399 175.510 0.153 0.000 1.028 505 N CA 1.761 54.925 53.050 0.189 0.000 0.861 505 N CB -0.957 37.628 38.487 0.163 0.000 1.029 505 N HN 0.553 nan 8.380 nan 0.000 0.428 506 G N 0.237 109.098 108.800 0.102 0.000 2.432 506 G HA2 -0.147 8.484 3.960 7.785 0.000 0.219 506 G HA3 -0.147 8.484 3.960 7.785 0.000 0.219 506 G C 1.532 176.534 174.900 0.170 0.000 1.135 506 G CA 0.600 45.779 45.100 0.132 0.000 0.767 506 G HN 0.295 nan 8.290 nan 0.000 0.550 507 I N -1.119 119.431 120.570 -0.034 0.000 2.339 507 I HA 0.030 8.871 4.170 7.785 0.000 0.245 507 I C 1.129 177.110 176.117 -0.227 0.000 1.096 507 I CA 0.374 61.526 61.300 -0.247 0.000 1.408 507 I CB -0.073 37.600 38.000 -0.545 0.000 1.092 507 I HN 0.003 nan 8.210 nan 0.000 0.423 508 Y N 1.722 122.096 120.300 0.123 0.000 2.685 508 Y HA 0.099 9.321 4.550 7.786 0.000 0.365 508 Y C 0.606 176.603 175.900 0.161 0.000 1.113 508 Y CA -0.183 57.995 58.100 0.130 0.000 1.470 508 Y CB -1.277 37.236 38.460 0.088 0.000 1.361 508 Y HN -0.062 nan 8.280 nan 0.000 0.490 509 T N 4.123 118.861 114.554 0.305 0.000 2.729 509 T HA 0.058 9.079 4.350 7.785 0.000 0.296 509 T C -1.196 173.576 174.700 0.119 0.000 0.928 509 T CA -1.284 60.910 62.100 0.157 0.000 1.045 509 T CB 1.221 70.090 68.868 0.002 0.000 0.902 509 T HN 0.221 nan 8.240 nan 0.000 0.500 510 P HA -0.217 nan 4.420 nan 0.000 0.215 510 P C 1.417 178.732 177.300 0.025 0.000 1.163 510 P CA 1.243 64.382 63.100 0.065 0.000 0.894 510 P CB 0.110 31.834 31.700 0.040 0.000 0.791 511 A N -1.345 121.434 122.820 -0.068 0.000 2.131 511 A HA -0.143 8.848 4.320 7.785 0.000 0.220 511 A C 2.209 179.751 177.584 -0.071 0.000 1.158 511 A CA 1.084 53.060 52.037 -0.101 0.000 0.665 511 A CB -1.900 16.990 19.000 -0.183 0.000 0.795 511 A HN 0.269 nan 8.150 nan 0.000 0.460 512 W N -0.021 121.282 121.300 0.005 0.000 2.338 512 W HA -0.165 9.166 4.660 7.785 0.000 0.304 512 W C 1.971 178.483 176.519 -0.012 0.000 1.212 512 W CA 1.399 58.740 57.345 -0.007 0.000 1.264 512 W CB 0.061 29.509 29.460 -0.020 0.000 1.142 512 W HN 0.190 nan 8.180 nan 0.000 0.512 513 K N -0.112 120.421 120.400 0.223 0.000 2.486 513 K HA -0.002 8.988 4.320 7.785 0.000 0.194 513 K C 1.087 177.727 176.600 0.066 0.000 1.033 513 K CA 0.756 57.118 56.287 0.125 0.000 1.004 513 K CB -0.202 32.359 32.500 0.102 0.000 0.798 513 K HN 0.210 nan 8.250 nan 0.000 0.495 514 M N -1.370 118.258 119.600 0.047 0.000 2.963 514 M HA 0.346 9.496 4.480 7.785 0.000 0.350 514 M C 0.089 176.379 176.300 -0.017 0.000 1.253 514 M CA 0.061 55.361 55.300 -0.000 0.000 0.856 514 M CB 0.210 32.803 32.600 -0.011 0.000 1.356 514 M HN -0.115 nan 8.290 nan 0.000 0.510 515 I N 0.391 120.966 120.570 0.009 0.000 2.716 515 I HA 0.033 8.873 4.170 7.785 0.000 0.259 515 I C 0.318 176.409 176.117 -0.044 0.000 1.172 515 I CA 0.713 62.015 61.300 0.004 0.000 1.478 515 I CB 0.088 38.124 38.000 0.061 0.000 1.104 515 I HN 0.346 nan 8.210 nan 0.000 0.439 516 T N 3.982 118.493 114.554 -0.070 0.000 2.767 516 T HA 0.302 9.323 4.350 7.785 0.000 0.288 516 T C -2.166 172.385 174.700 -0.248 0.000 0.963 516 T CA -1.151 60.872 62.100 -0.128 0.000 1.019 516 T CB 1.155 69.968 68.868 -0.091 0.000 0.923 516 T HN 0.055 nan 8.240 nan 0.000 0.468 517 P HA 0.220 nan 4.420 nan 0.000 0.275 517 P C -1.897 174.965 177.300 -0.731 0.000 1.227 517 P CA -1.585 61.021 63.100 -0.823 0.000 0.781 517 P CB 0.757 31.454 31.700 -1.671 0.000 0.906 518 P HA -0.227 nan 4.420 nan 0.000 0.225 518 P C 1.240 178.452 177.300 -0.146 0.000 1.154 518 P CA 2.124 65.071 63.100 -0.256 0.000 0.933 518 P CB -0.606 31.028 31.700 -0.110 0.000 0.790 519 W N -0.353 120.953 121.300 0.010 0.000 2.519 519 W HA 0.125 9.455 4.660 7.784 0.000 0.266 519 W C 1.776 178.301 176.519 0.009 0.000 1.253 519 W CA 0.642 57.992 57.345 0.009 0.000 1.274 519 W CB -1.118 28.346 29.460 0.007 0.000 1.114 519 W HN -0.172 nan 8.180 nan 0.000 0.596 520 K N 1.398 121.670 120.400 -0.213 0.000 2.054 520 K HA 0.018 9.009 4.320 7.785 0.000 0.207 520 K C 2.318 178.893 176.600 -0.043 0.000 1.031 520 K CA 1.904 58.172 56.287 -0.030 0.000 0.952 520 K CB -1.142 31.295 32.500 -0.106 0.000 0.775 520 K HN 0.158 nan 8.250 nan 0.000 0.447 521 K N 1.262 121.593 120.400 -0.114 0.000 2.633 521 K HA 0.072 9.063 4.320 7.785 0.000 0.193 521 K C 1.231 177.809 176.600 -0.037 0.000 1.033 521 K CA 1.520 57.766 56.287 -0.068 0.000 0.980 521 K CB -0.557 31.888 32.500 -0.091 0.000 0.800 521 K HN 0.393 nan 8.250 nan 0.000 0.493 522 A N -1.971 120.842 122.820 -0.013 0.000 1.805 522 A HA 0.566 9.557 4.320 7.785 0.000 0.127 522 A C 1.696 179.309 177.584 0.048 0.000 1.483 522 A CA 0.707 52.752 52.037 0.013 0.000 2.456 522 A CB -0.717 18.286 19.000 0.005 0.000 2.518 522 A HN 0.959 nan 8.150 nan 0.000 1.267 523 S N 0.962 116.710 115.700 0.081 0.000 3.544 523 S HA 0.517 9.657 4.470 7.785 0.000 0.227 523 S C 1.339 176.028 174.600 0.148 0.000 1.387 523 S CA 1.140 59.408 58.200 0.112 0.000 1.182 523 S CB -1.333 61.948 63.200 0.135 0.000 1.243 523 S HN 1.611 nan 8.310 nan 0.000 0.467 524 S N 0.187 115.957 115.700 0.118 0.000 2.461 524 S HA 0.117 9.258 4.470 7.785 0.000 0.249 524 S C 1.280 175.935 174.600 0.091 0.000 1.012 524 S CA 1.901 60.172 58.200 0.118 0.000 0.982 524 S CB -0.378 62.867 63.200 0.076 0.000 0.764 524 S HN 1.102 nan 8.310 nan 0.000 0.506 525 E N -0.873 119.369 120.200 0.071 0.000 3.858 525 E HA 0.677 9.697 4.350 7.785 0.000 0.208 525 E C 0.010 176.631 176.600 0.034 0.000 1.041 525 E CA 0.577 57.002 56.400 0.042 0.000 1.368 525 E CB -0.820 28.899 29.700 0.031 0.000 1.176 525 E HN 1.436 nan 8.360 nan 0.000 0.448 526 S N 0.000 115.727 115.700 0.045 0.000 2.498 526 S HA 0.000 9.141 4.470 7.785 0.000 0.327 526 S CA 0.000 58.218 58.200 0.029 0.000 1.107 526 S CB 0.000 63.225 63.200 0.042 0.000 0.593 526 S HN 0.000 nan 8.310 nan 0.000 0.517