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 2z8g_1_B DATA FIRST_RESID 16 DATA SEQUENCE REFMAVTANN SQLLTWWHNT GEINTQTPVA DGNVRQSGLY SVKVQTTPAS DATA SEQUENCE SSLYYDSFVY LAIPGNGMSD QLQYTQGYNQ TQAWTSFLYS HDATVKISRN DATA SEQUENCE GSSANSNVVI RPTSLNFPVR YDNQSVYITV PYSPTGYRFS VEFDDDLISL DATA SEQUENCE APSGARQPEN ALLIFASPFE NSSTKPQPGS PNSIAPAPGR VLGLNTTSAS DATA SEQUENCE TVVFNPGVYY FTGHDHMVLS SSVTWVYFAP GAYVKGAVEF LSTASEVKAS DATA SEQUENCE GHGVLSGEQY VWYADPDEGY QKASGANNNG LRMWRGTLGN SSQTFVLNGV DATA SEQUENCE TVSAPPFNSM DWSGNSLDLI TCRVDDYKQV GAFYGQTDGL EMYPGTILQD DATA SEQUENCE VFYHTDDDGL KMYYSNVTAR NIVMWKESVA PVVEFGWTPR NTENVLFDNV DATA SEQUENCE DVIHQAYANA GNNPGIFGAV NNYLYAPDGL SSNHSTGNSN MTVRNITWSN DATA SEQUENCE FRAEGSSSAL FRINPIQNLD NISIKNVSIE SFEPLSINTT ESWMPVWYDL DATA SEQUENCE NNGKQITVTD FSIEGFTVGN TTITASNAAS VGRIDGVDPA YAGSVHYID 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 16 R HA 0.000 nan 4.340 nan 0.000 0.208 16 R C 0.000 176.159 176.300 -0.235 0.000 0.893 16 R CA 0.000 56.016 56.100 -0.140 0.000 0.921 16 R CB 0.000 30.250 30.300 -0.083 0.000 0.687 17 E N 1.024 121.112 120.200 -0.186 0.000 2.415 17 E HA 0.093 4.443 4.350 -0.000 0.000 0.262 17 E C -0.581 175.916 176.600 -0.172 0.000 1.038 17 E CA 0.047 56.312 56.400 -0.226 0.000 0.921 17 E CB 0.422 30.064 29.700 -0.096 0.000 0.950 17 E HN 0.206 nan 8.360 nan 0.000 0.438 18 F N 1.997 121.926 119.950 -0.035 0.000 2.572 18 F HA 0.030 4.556 4.527 -0.001 0.000 0.370 18 F C 0.804 176.562 175.800 -0.069 0.000 1.103 18 F CA 0.214 58.180 58.000 -0.056 0.000 1.286 18 F CB 0.368 39.334 39.000 -0.057 0.000 1.105 18 F HN 0.123 nan 8.300 nan 0.000 0.583 19 M N 2.471 122.133 119.600 0.103 0.000 2.484 19 M HA 0.400 4.880 4.480 -0.000 0.000 0.289 19 M C -0.483 175.704 176.300 -0.187 0.000 1.206 19 M CA -0.991 54.286 55.300 -0.039 0.000 0.892 19 M CB 1.933 34.517 32.600 -0.027 0.000 1.712 19 M HN 0.556 nan 8.290 nan 0.000 0.462 20 A N 1.651 124.207 122.820 -0.440 0.000 2.462 20 A HA 0.470 4.790 4.320 -0.000 0.000 0.243 20 A C -0.278 177.088 177.584 -0.363 0.000 1.076 20 A CA -0.354 51.258 52.037 -0.709 0.000 0.773 20 A CB 0.330 18.260 19.000 -1.784 0.000 1.010 20 A HN 0.712 nan 8.150 nan 0.000 0.493 21 V N 3.797 123.566 119.914 -0.242 0.000 2.350 21 V HA 0.611 4.730 4.120 -0.000 0.000 0.285 21 V C 0.249 176.415 176.094 0.121 0.000 1.014 21 V CA 0.296 62.569 62.300 -0.046 0.000 0.831 21 V CB 1.285 33.072 31.823 -0.061 0.000 1.000 21 V HN 1.225 nan 8.190 nan 0.000 0.433 22 T N 4.572 119.236 114.554 0.184 0.000 2.929 22 T HA 0.849 5.198 4.350 -0.000 0.000 0.284 22 T C 0.098 174.890 174.700 0.153 0.000 1.014 22 T CA -0.139 62.099 62.100 0.230 0.000 1.051 22 T CB 1.744 70.727 68.868 0.192 0.000 1.028 22 T HN 1.319 nan 8.240 nan 0.000 0.485 23 A N 2.087 124.812 122.820 -0.158 0.000 2.327 23 A HA 0.651 4.971 4.320 -0.000 0.000 0.283 23 A C 0.424 177.884 177.584 -0.206 0.000 1.127 23 A CA -0.766 50.864 52.037 -0.679 0.000 0.810 23 A CB 0.152 18.577 19.000 -0.958 0.000 1.066 23 A HN 0.860 nan 8.150 nan 0.000 0.492 24 N N 1.459 120.055 118.700 -0.173 0.000 2.732 24 N HA 0.080 4.820 4.740 -0.000 0.000 0.230 24 N C -1.326 174.180 175.510 -0.007 0.000 1.487 24 N CA -0.297 52.733 53.050 -0.033 0.000 0.765 24 N CB 0.303 38.798 38.487 0.014 0.000 1.384 24 N HN 0.937 nan 8.380 nan 0.000 0.530 25 N N -1.629 117.088 118.700 0.028 0.000 3.167 25 N HA 0.207 4.947 4.740 -0.000 0.000 0.323 25 N C 0.573 176.226 175.510 0.237 0.000 1.478 25 N CA -0.513 52.585 53.050 0.080 0.000 0.753 25 N CB 0.442 38.936 38.487 0.012 0.000 1.721 25 N HN 0.009 nan 8.380 nan 0.000 0.618 26 S N -1.497 114.302 115.700 0.165 0.000 2.603 26 S HA -0.063 4.407 4.470 -0.000 0.000 0.229 26 S C 0.936 175.517 174.600 -0.031 0.000 0.972 26 S CA 0.632 58.922 58.200 0.149 0.000 0.935 26 S CB -0.368 62.843 63.200 0.018 0.000 0.769 26 S HN 0.611 nan 8.310 nan 0.000 0.536 27 Q N -0.607 119.241 119.800 0.078 0.000 2.288 27 Q HA 0.497 4.837 4.340 -0.000 0.000 0.256 27 Q C -0.653 175.509 176.000 0.271 0.000 0.835 27 Q CA -0.085 55.713 55.803 -0.008 0.000 0.958 27 Q CB 0.727 29.437 28.738 -0.046 0.000 1.125 27 Q HN 0.471 nan 8.270 nan 0.000 0.513 28 L N 0.642 122.106 121.223 0.401 0.000 2.506 28 L HA 0.577 4.916 4.340 -0.000 0.000 0.257 28 L C -2.270 174.741 176.870 0.236 0.000 0.964 28 L CA -0.927 54.138 54.840 0.375 0.000 0.836 28 L CB 2.408 44.538 42.059 0.118 0.000 1.384 28 L HN -0.014 nan 8.230 nan 0.000 0.410 29 L N 3.528 124.891 121.223 0.234 0.000 2.476 29 L HA 0.869 5.209 4.340 -0.000 0.000 0.269 29 L C -0.800 176.239 176.870 0.283 0.000 0.965 29 L CA 0.416 55.354 54.840 0.164 0.000 0.845 29 L CB 2.045 44.126 42.059 0.036 0.000 1.259 29 L HN 0.868 nan 8.230 nan 0.000 0.403 30 T N 0.256 114.937 114.554 0.211 0.000 2.907 30 T HA 0.883 5.233 4.350 -0.000 0.000 0.290 30 T C -0.948 173.961 174.700 0.348 0.000 1.066 30 T CA -0.578 61.567 62.100 0.074 0.000 1.012 30 T CB 1.553 70.414 68.868 -0.012 0.000 1.184 30 T HN 0.765 nan 8.240 nan 0.000 0.522 31 W N -1.115 120.309 121.300 0.206 0.000 3.042 31 W HA 0.837 5.497 4.660 -0.000 0.000 0.342 31 W C -1.863 174.806 176.519 0.251 0.000 1.240 31 W CA -1.310 56.133 57.345 0.164 0.000 1.166 31 W CB 0.969 30.476 29.460 0.077 0.000 1.469 31 W HN 0.858 nan 8.180 nan 0.000 0.579 32 W N 0.773 122.121 121.300 0.081 0.000 3.047 32 W HA 0.460 5.119 4.660 -0.001 0.000 0.341 32 W C -1.378 174.889 176.519 -0.419 0.000 1.225 32 W CA -0.820 56.493 57.345 -0.053 0.000 1.150 32 W CB 2.211 31.718 29.460 0.078 0.000 1.470 32 W HN 0.401 nan 8.180 nan 0.000 0.578 33 H N 2.941 121.702 119.070 -0.515 0.000 2.744 33 H HA 0.165 4.721 4.556 -0.000 0.000 0.339 33 H C 0.547 175.776 175.328 -0.165 0.000 1.004 33 H CA -0.442 55.337 56.048 -0.447 0.000 1.257 33 H CB 1.654 30.826 29.762 -0.983 0.000 1.552 33 H HN 0.352 nan 8.280 nan 0.000 0.522 34 N N 1.007 119.808 118.700 0.168 0.000 2.512 34 N HA -0.076 4.663 4.740 -0.000 0.000 0.183 34 N C 1.117 176.700 175.510 0.122 0.000 1.073 34 N CA 0.789 53.968 53.050 0.215 0.000 0.911 34 N CB 0.343 38.938 38.487 0.181 0.000 0.964 34 N HN 0.573 nan 8.380 nan 0.000 0.447 35 T N -2.507 112.075 114.554 0.046 0.000 3.243 35 T HA 0.325 4.675 4.350 -0.000 0.000 0.264 35 T C 0.829 175.509 174.700 -0.033 0.000 1.000 35 T CA -0.768 61.334 62.100 0.003 0.000 0.901 35 T CB -0.002 68.850 68.868 -0.027 0.000 1.083 35 T HN 0.000 nan 8.240 nan 0.000 0.559 36 G N 0.813 109.621 108.800 0.013 0.000 2.432 36 G HA2 0.390 4.349 3.960 -0.000 0.000 0.239 36 G HA3 0.390 4.349 3.960 -0.000 0.000 0.239 36 G C -0.717 174.192 174.900 0.015 0.000 1.291 36 G CA -0.452 44.691 45.100 0.071 0.000 0.863 36 G HN 0.554 nan 8.290 nan 0.000 0.560 37 E N 1.596 121.784 120.200 -0.021 0.000 2.241 37 E HA 0.240 4.590 4.350 -0.000 0.000 0.263 37 E C -0.455 176.109 176.600 -0.061 0.000 0.882 37 E CA -0.901 55.475 56.400 -0.039 0.000 0.769 37 E CB 1.105 30.778 29.700 -0.045 0.000 1.185 37 E HN 0.200 nan 8.360 nan 0.000 0.415 38 I N 4.388 124.919 120.570 -0.064 0.000 2.421 38 I HA 0.221 4.390 4.170 -0.000 0.000 0.291 38 I C -0.015 176.065 176.117 -0.062 0.000 1.089 38 I CA 0.081 61.332 61.300 -0.081 0.000 1.354 38 I CB -0.165 37.786 38.000 -0.081 0.000 1.413 38 I HN 0.471 nan 8.210 nan 0.000 0.513 39 N N 4.607 123.271 118.700 -0.060 0.000 2.493 39 N HA 0.198 4.938 4.740 -0.000 0.000 0.279 39 N C 0.001 175.485 175.510 -0.044 0.000 1.082 39 N CA -0.228 52.794 53.050 -0.046 0.000 0.963 39 N CB 1.868 40.334 38.487 -0.035 0.000 1.627 39 N HN 0.564 nan 8.380 nan 0.000 0.499 40 T N -0.265 114.262 114.554 -0.045 0.000 3.145 40 T HA 0.278 4.628 4.350 -0.000 0.000 0.281 40 T C 0.563 175.237 174.700 -0.045 0.000 1.003 40 T CA 0.071 62.142 62.100 -0.048 0.000 0.901 40 T CB 0.247 69.078 68.868 -0.061 0.000 1.112 40 T HN 0.525 nan 8.240 nan 0.000 0.535 41 Q N 0.882 120.661 119.800 -0.034 0.000 2.215 41 Q HA 0.227 4.567 4.340 -0.000 0.000 0.257 41 Q C 0.495 176.486 176.000 -0.016 0.000 0.792 41 Q CA 0.365 56.151 55.803 -0.029 0.000 0.958 41 Q CB 1.594 30.314 28.738 -0.029 0.000 1.158 41 Q HN 0.635 nan 8.270 nan 0.000 0.490 42 T N -1.673 112.875 114.554 -0.011 0.000 2.864 42 T HA 0.582 4.932 4.350 -0.000 0.000 0.289 42 T C -2.943 171.759 174.700 0.003 0.000 1.082 42 T CA -2.389 59.711 62.100 -0.001 0.000 1.009 42 T CB 1.957 70.822 68.868 -0.005 0.000 1.234 42 T HN -0.320 nan 8.240 nan 0.000 0.526 43 P HA 0.320 nan 4.420 nan 0.000 0.275 43 P C 0.058 177.350 177.300 -0.013 0.000 1.227 43 P CA -0.609 62.496 63.100 0.009 0.000 0.781 43 P CB 0.473 32.180 31.700 0.011 0.000 0.906 44 V N 0.375 120.278 119.914 -0.019 0.000 3.214 44 V HA 0.654 4.774 4.120 -0.000 0.000 0.306 44 V C 0.423 176.478 176.094 -0.066 0.000 1.078 44 V CA -1.073 61.203 62.300 -0.041 0.000 1.077 44 V CB -0.041 31.752 31.823 -0.049 0.000 1.121 44 V HN 0.635 nan 8.190 nan 0.000 0.468 45 A N 1.157 123.931 122.820 -0.076 0.000 2.448 45 A HA 0.175 4.495 4.320 -0.000 0.000 0.239 45 A C 1.120 178.603 177.584 -0.169 0.000 1.080 45 A CA 0.371 52.345 52.037 -0.105 0.000 0.779 45 A CB -0.341 18.611 19.000 -0.081 0.000 1.026 45 A HN 1.018 nan 8.150 nan 0.000 0.499 46 D N 1.715 121.945 120.400 -0.283 0.000 2.133 46 D HA -0.148 4.492 4.640 -0.000 0.000 0.192 46 D C 1.803 177.876 176.300 -0.378 0.000 1.001 46 D CA 2.243 55.886 54.000 -0.594 0.000 0.844 46 D CB -0.344 39.805 40.800 -1.085 0.000 0.944 46 D HN 0.696 nan 8.370 nan 0.000 0.447 47 G N -0.410 108.298 108.800 -0.153 0.000 3.233 47 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.227 47 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.227 47 G C 0.465 175.337 174.900 -0.046 0.000 1.175 47 G CA -0.239 44.869 45.100 0.013 0.000 0.781 47 G HN 0.085 nan 8.290 nan 0.000 0.542 48 N N -0.423 118.222 118.700 -0.092 0.000 2.477 48 N HA 0.581 5.320 4.740 -0.000 0.000 0.284 48 N C -0.832 174.549 175.510 -0.214 0.000 1.182 48 N CA -0.460 52.517 53.050 -0.122 0.000 0.949 48 N CB 2.186 40.620 38.487 -0.089 0.000 1.204 48 N HN -0.181 nan 8.380 nan 0.000 0.526 49 V N 0.984 120.726 119.914 -0.285 0.000 2.443 49 V HA 0.350 4.470 4.120 -0.000 0.000 0.293 49 V C 0.404 176.380 176.094 -0.197 0.000 1.021 49 V CA -0.869 61.144 62.300 -0.478 0.000 0.848 49 V CB 1.345 32.656 31.823 -0.854 0.000 0.998 49 V HN 0.533 nan 8.190 nan 0.000 0.424 50 R N 3.622 124.037 120.500 -0.141 0.000 2.502 50 R HA 0.116 4.455 4.340 -0.000 0.000 0.292 50 R C -0.128 176.142 176.300 -0.050 0.000 0.998 50 R CA 0.377 56.446 56.100 -0.052 0.000 1.056 50 R CB 0.427 30.731 30.300 0.008 0.000 0.939 50 R HN 0.832 nan 8.270 nan 0.000 0.411 51 Q N 2.585 122.308 119.800 -0.128 0.000 2.377 51 Q HA 0.200 4.540 4.340 -0.000 0.000 0.271 51 Q C -1.155 174.662 176.000 -0.306 0.000 1.077 51 Q CA -0.606 54.985 55.803 -0.354 0.000 0.820 51 Q CB 2.075 30.520 28.738 -0.489 0.000 1.347 51 Q HN 0.618 nan 8.270 nan 0.000 0.444 52 S N 1.328 116.809 115.700 -0.366 0.000 2.549 52 S HA 0.295 4.764 4.470 -0.000 0.000 0.283 52 S C 0.744 175.201 174.600 -0.238 0.000 1.320 52 S CA 0.445 58.505 58.200 -0.234 0.000 1.058 52 S CB 0.465 63.569 63.200 -0.160 0.000 0.882 52 S HN 0.779 nan 8.310 nan 0.000 0.498 53 G N 3.457 112.136 108.800 -0.202 0.000 3.126 53 G HA2 0.155 4.115 3.960 -0.000 0.000 0.224 53 G HA3 0.155 4.115 3.960 -0.000 0.000 0.224 53 G C 0.831 175.591 174.900 -0.233 0.000 1.142 53 G CA 0.043 45.030 45.100 -0.189 0.000 0.759 53 G HN 0.635 nan 8.290 nan 0.000 0.550 54 L N -0.920 120.108 121.223 -0.325 0.000 2.362 54 L HA 0.521 4.861 4.340 -0.000 0.000 0.204 54 L C -0.246 176.264 176.870 -0.599 0.000 1.060 54 L CA 0.244 54.764 54.840 -0.533 0.000 0.827 54 L CB 0.027 41.615 42.059 -0.784 0.000 1.027 54 L HN 0.084 nan 8.230 nan 0.000 0.474 55 Y N 0.056 120.253 120.300 -0.172 0.000 2.377 55 Y HA 0.609 5.159 4.550 -0.000 0.000 0.339 55 Y C 0.248 176.050 175.900 -0.162 0.000 1.011 55 Y CA -0.933 57.072 58.100 -0.157 0.000 1.093 55 Y CB 1.483 39.872 38.460 -0.117 0.000 1.201 55 Y HN 0.083 nan 8.280 nan 0.000 0.455 56 S N 1.394 117.115 115.700 0.035 0.000 2.521 56 S HA 0.899 5.369 4.470 -0.000 0.000 0.295 56 S C -1.366 173.229 174.600 -0.008 0.000 1.098 56 S CA -0.724 57.464 58.200 -0.020 0.000 0.999 56 S CB 1.496 64.671 63.200 -0.041 0.000 1.034 56 S HN 0.363 nan 8.310 nan 0.000 0.483 57 V N 2.692 122.599 119.914 -0.012 0.000 2.735 57 V HA 0.636 4.755 4.120 -0.000 0.000 0.310 57 V C -0.448 175.648 176.094 0.004 0.000 1.061 57 V CA -0.707 61.585 62.300 -0.014 0.000 0.913 57 V CB 1.959 33.767 31.823 -0.024 0.000 1.005 57 V HN 0.970 nan 8.190 nan 0.000 0.428 58 K N 2.353 122.759 120.400 0.010 0.000 2.435 58 K HA 0.885 5.205 4.320 -0.000 0.000 0.251 58 K C -1.762 174.913 176.600 0.126 0.000 0.954 58 K CA -0.812 55.520 56.287 0.075 0.000 0.820 58 K CB 2.884 35.444 32.500 0.100 0.000 1.292 58 K HN 0.406 nan 8.250 nan 0.000 0.436 59 V N 1.338 121.295 119.914 0.071 0.000 2.789 59 V HA 0.390 4.510 4.120 -0.000 0.000 0.311 59 V C -1.005 174.990 176.094 -0.165 0.000 1.073 59 V CA -0.866 61.370 62.300 -0.106 0.000 0.921 59 V CB 1.881 33.407 31.823 -0.494 0.000 1.009 59 V HN 0.746 nan 8.190 nan 0.000 0.426 60 Q N 1.545 121.129 119.800 -0.361 0.000 2.274 60 Q HA 0.426 4.766 4.340 -0.000 0.000 0.268 60 Q C -0.918 174.963 176.000 -0.198 0.000 1.015 60 Q CA -0.462 55.064 55.803 -0.462 0.000 0.775 60 Q CB 2.209 30.185 28.738 -1.270 0.000 1.256 60 Q HN 0.804 nan 8.270 nan 0.000 0.442 61 T N 3.264 117.786 114.554 -0.055 0.000 2.902 61 T HA 0.089 4.439 4.350 -0.000 0.000 0.301 61 T C 0.410 175.146 174.700 0.060 0.000 1.012 61 T CA 0.355 62.494 62.100 0.065 0.000 1.151 61 T CB 0.448 69.354 68.868 0.064 0.000 0.946 61 T HN 0.718 nan 8.240 nan 0.000 0.542 62 T N 2.650 117.307 114.554 0.171 0.000 2.813 62 T HA 0.321 4.671 4.350 -0.000 0.000 0.297 62 T C -2.268 172.524 174.700 0.153 0.000 1.036 62 T CA -1.552 60.630 62.100 0.137 0.000 1.044 62 T CB 0.189 69.136 68.868 0.132 0.000 0.993 62 T HN 0.330 nan 8.240 nan 0.000 0.535 63 P HA 0.319 nan 4.420 nan 0.000 0.275 63 P C -0.448 176.863 177.300 0.018 0.000 1.228 63 P CA -0.507 62.625 63.100 0.053 0.000 0.786 63 P CB 0.360 32.082 31.700 0.037 0.000 0.927 64 A N 2.818 125.646 122.820 0.012 0.000 2.520 64 A HA 0.447 4.766 4.320 -0.000 0.000 0.245 64 A C 0.727 178.315 177.584 0.008 0.000 1.072 64 A CA 0.440 52.482 52.037 0.008 0.000 0.761 64 A CB -0.708 18.301 19.000 0.014 0.000 1.004 64 A HN 0.713 nan 8.150 nan 0.000 0.499 65 S N 0.255 115.966 115.700 0.018 0.000 2.752 65 S HA 0.513 4.983 4.470 -0.000 0.000 0.284 65 S C 0.681 175.311 174.600 0.050 0.000 1.189 65 S CA 0.087 58.299 58.200 0.020 0.000 0.835 65 S CB 0.730 63.933 63.200 0.005 0.000 1.192 65 S HN 1.546 nan 8.310 nan 0.000 0.506 66 S N 0.586 116.305 115.700 0.032 0.000 2.595 66 S HA 0.097 4.567 4.470 -0.000 0.000 0.235 66 S C 1.048 175.674 174.600 0.044 0.000 0.974 66 S CA 0.323 58.547 58.200 0.040 0.000 0.942 66 S CB -1.286 61.924 63.200 0.017 0.000 0.766 66 S HN 1.234 nan 8.310 nan 0.000 0.536 67 S N 1.464 117.182 115.700 0.029 0.000 2.592 67 S HA 0.314 4.784 4.470 -0.000 0.000 0.256 67 S C 0.036 174.639 174.600 0.005 0.000 1.369 67 S CA -0.856 57.346 58.200 0.003 0.000 0.984 67 S CB -0.024 63.166 63.200 -0.016 0.000 0.919 67 S HN 0.370 nan 8.310 nan 0.000 0.576 68 L N 0.932 122.109 121.223 -0.076 0.000 2.397 68 L HA 0.409 4.748 4.340 -0.000 0.000 0.271 68 L C -1.059 175.655 176.870 -0.259 0.000 1.148 68 L CA -0.098 54.639 54.840 -0.172 0.000 0.825 68 L CB -0.097 41.754 42.059 -0.346 0.000 1.117 68 L HN 0.657 nan 8.230 nan 0.000 0.456 69 Y N 3.819 123.937 120.300 -0.304 0.000 2.330 69 Y HA 0.392 4.942 4.550 -0.000 0.000 0.336 69 Y C -0.772 174.926 175.900 -0.337 0.000 1.036 69 Y CA 0.007 57.982 58.100 -0.209 0.000 1.125 69 Y CB 1.021 39.426 38.460 -0.092 0.000 1.194 69 Y HN 0.428 nan 8.280 nan 0.000 0.469 70 Y N 2.596 122.906 120.300 0.016 0.000 2.313 70 Y HA 0.171 4.721 4.550 -0.000 0.000 0.332 70 Y C 0.434 176.314 175.900 -0.033 0.000 1.071 70 Y CA -0.920 57.167 58.100 -0.023 0.000 1.169 70 Y CB 0.528 38.964 38.460 -0.040 0.000 1.192 70 Y HN 0.529 nan 8.280 nan 0.000 0.487 71 D N 1.580 122.013 120.400 0.054 0.000 2.443 71 D HA 0.012 4.651 4.640 -0.000 0.000 0.239 71 D C -0.386 175.993 176.300 0.131 0.000 1.136 71 D CA 0.468 54.472 54.000 0.008 0.000 0.879 71 D CB 1.381 42.012 40.800 -0.282 0.000 1.195 71 D HN 0.366 nan 8.370 nan 0.000 0.443 72 S N 2.178 117.975 115.700 0.161 0.000 2.707 72 S HA 0.245 4.714 4.470 -0.000 0.000 0.303 72 S C -0.630 174.022 174.600 0.086 0.000 1.132 72 S CA -0.783 57.450 58.200 0.056 0.000 1.046 72 S CB 0.223 63.385 63.200 -0.064 0.000 1.004 72 S HN 0.306 nan 8.310 nan 0.000 0.483 73 F N 5.266 125.120 119.950 -0.161 0.000 2.608 73 F HA 0.252 4.778 4.527 -0.000 0.000 0.380 73 F C -0.094 175.300 175.800 -0.677 0.000 1.083 73 F CA 0.533 58.173 58.000 -0.600 0.000 1.266 73 F CB 0.554 39.068 39.000 -0.810 0.000 1.076 73 F HN 0.300 nan 8.300 nan 0.000 0.574 74 V N 8.086 127.325 119.914 -1.126 0.000 2.311 74 V HA 0.165 4.285 4.120 -0.000 0.000 0.275 74 V C -0.446 175.059 176.094 -0.982 0.000 1.022 74 V CA -0.730 61.089 62.300 -0.801 0.000 0.830 74 V CB 0.011 31.552 31.823 -0.470 0.000 1.012 74 V HN 0.551 nan 8.190 nan 0.000 0.452 75 Y N 4.661 124.523 120.300 -0.729 0.000 2.299 75 Y HA 0.569 5.119 4.550 -0.001 0.000 0.335 75 Y C 0.094 175.604 175.900 -0.651 0.000 1.287 75 Y CA -0.540 57.086 58.100 -0.790 0.000 1.424 75 Y CB 0.800 38.271 38.460 -1.647 0.000 1.326 75 Y HN 0.497 nan 8.280 nan 0.000 0.567 76 L N 1.480 122.606 121.223 -0.162 0.000 2.436 76 L HA 0.838 5.177 4.340 -0.000 0.000 0.268 76 L C -1.204 175.824 176.870 0.264 0.000 0.974 76 L CA -0.725 54.151 54.840 0.059 0.000 0.826 76 L CB 1.649 43.702 42.059 -0.010 0.000 1.291 76 L HN 0.661 nan 8.230 nan 0.000 0.406 77 A N 5.855 128.921 122.820 0.409 0.000 2.365 77 A HA 0.896 5.216 4.320 -0.000 0.000 0.318 77 A C -0.898 176.899 177.584 0.355 0.000 1.091 77 A CA -0.530 51.763 52.037 0.426 0.000 0.763 77 A CB 1.036 20.328 19.000 0.488 0.000 1.248 77 A HN 0.893 nan 8.150 nan 0.000 0.442 78 I N -0.500 120.200 120.570 0.215 0.000 2.828 78 I HA 0.683 4.853 4.170 -0.000 0.000 0.302 78 I C -2.773 173.207 176.117 -0.229 0.000 1.101 78 I CA -2.983 58.267 61.300 -0.084 0.000 1.031 78 I CB 2.677 40.626 38.000 -0.086 0.000 1.231 78 I HN 0.340 nan 8.210 nan 0.000 0.427 79 P HA 0.078 nan 4.420 nan 0.000 0.264 79 P C 0.805 177.978 177.300 -0.211 0.000 1.193 79 P CA 1.192 63.981 63.100 -0.518 0.000 0.763 79 P CB 0.879 32.212 31.700 -0.612 0.000 0.810 80 G N 3.611 112.293 108.800 -0.197 0.000 2.205 80 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.261 80 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.261 80 G C 0.592 175.546 174.900 0.091 0.000 0.980 80 G CA 0.211 45.322 45.100 0.018 0.000 0.632 80 G HN 0.583 nan 8.290 nan 0.000 0.533 81 N N -1.159 117.562 118.700 0.034 0.000 2.725 81 N HA -0.191 4.549 4.740 -0.000 0.000 0.249 81 N C 1.731 177.288 175.510 0.078 0.000 1.103 81 N CA 2.618 55.723 53.050 0.092 0.000 0.707 81 N CB -1.465 37.116 38.487 0.157 0.000 1.043 81 N HN 2.331 nan 8.380 nan 0.000 0.553 82 G N -1.181 107.645 108.800 0.044 0.000 2.175 82 G HA2 -0.323 3.636 3.960 -0.000 0.000 0.244 82 G HA3 -0.323 3.636 3.960 -0.000 0.000 0.244 82 G C 0.095 175.025 174.900 0.049 0.000 0.982 82 G CA 0.433 45.553 45.100 0.033 0.000 0.641 82 G HN 0.393 nan 8.290 nan 0.000 0.527 83 M N 2.596 122.248 119.600 0.087 0.000 2.495 83 M HA 0.336 4.815 4.480 -0.000 0.000 0.346 83 M C 1.786 178.143 176.300 0.095 0.000 1.251 83 M CA 0.283 55.646 55.300 0.105 0.000 1.249 83 M CB 1.120 33.820 32.600 0.166 0.000 1.229 83 M HN 0.371 nan 8.290 nan 0.000 0.450 84 S N 0.469 116.199 115.700 0.050 0.000 2.420 84 S HA -0.213 4.257 4.470 -0.000 0.000 0.237 84 S C 1.220 175.835 174.600 0.024 0.000 1.023 84 S CA 1.856 60.071 58.200 0.025 0.000 0.991 84 S CB -0.472 62.732 63.200 0.006 0.000 0.792 84 S HN 0.776 nan 8.310 nan 0.000 0.488 85 D N 0.422 120.850 120.400 0.046 0.000 2.363 85 D HA -0.047 4.593 4.640 -0.000 0.000 0.226 85 D C 1.632 177.953 176.300 0.036 0.000 1.020 85 D CA 0.448 54.466 54.000 0.031 0.000 0.892 85 D CB -0.372 40.461 40.800 0.055 0.000 0.900 85 D HN 0.384 nan 8.370 nan 0.000 0.531 86 Q N -0.228 119.642 119.800 0.118 0.000 2.319 86 Q HA 0.236 4.576 4.340 -0.000 0.000 0.209 86 Q C 2.173 178.269 176.000 0.160 0.000 0.884 86 Q CA -0.073 55.879 55.803 0.248 0.000 0.938 86 Q CB 0.442 29.475 28.738 0.492 0.000 1.098 86 Q HN 0.393 nan 8.270 nan 0.000 0.517 87 L N 1.431 122.678 121.223 0.039 0.000 2.261 87 L HA -0.233 4.106 4.340 -0.000 0.000 0.216 87 L C 2.436 179.238 176.870 -0.113 0.000 1.114 87 L CA 1.398 56.230 54.840 -0.013 0.000 0.777 87 L CB -0.475 41.557 42.059 -0.045 0.000 0.910 87 L HN 0.329 nan 8.230 nan 0.000 0.440 88 Q N -0.560 119.068 119.800 -0.286 0.000 2.439 88 Q HA -0.194 4.146 4.340 -0.000 0.000 0.211 88 Q C 1.019 176.736 176.000 -0.470 0.000 0.978 88 Q CA 1.478 57.032 55.803 -0.416 0.000 0.897 88 Q CB -0.328 28.065 28.738 -0.575 0.000 0.956 88 Q HN 0.584 nan 8.270 nan 0.000 0.483 89 Y N 1.505 121.731 120.300 -0.123 0.000 2.524 89 Y HA 0.200 4.750 4.550 -0.000 0.000 0.266 89 Y C 0.961 176.713 175.900 -0.247 0.000 1.180 89 Y CA -0.295 57.556 58.100 -0.416 0.000 1.244 89 Y CB 0.777 38.786 38.460 -0.751 0.000 1.125 89 Y HN 0.205 nan 8.280 nan 0.000 0.524 90 T N -3.601 110.970 114.554 0.028 0.000 2.844 90 T HA 0.179 4.528 4.350 -0.000 0.000 0.274 90 T C 0.817 175.498 174.700 -0.032 0.000 0.991 90 T CA -0.729 61.403 62.100 0.052 0.000 0.983 90 T CB 1.356 70.254 68.868 0.049 0.000 1.310 90 T HN -0.134 nan 8.240 nan 0.000 0.596 91 Q N -0.262 119.516 119.800 -0.037 0.000 2.403 91 Q HA 0.221 4.561 4.340 -0.000 0.000 0.203 91 Q C 1.527 177.319 176.000 -0.347 0.000 0.932 91 Q CA 0.953 56.654 55.803 -0.169 0.000 0.945 91 Q CB 0.039 28.687 28.738 -0.150 0.000 1.045 91 Q HN 1.218 nan 8.270 nan 0.000 0.511 92 G N 0.294 108.965 108.800 -0.215 0.000 2.136 92 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.242 92 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.242 92 G C -0.132 174.673 174.900 -0.159 0.000 0.989 92 G CA 0.065 45.046 45.100 -0.199 0.000 0.682 92 G HN 0.371 nan 8.290 nan 0.000 0.522 93 Y N -0.068 120.227 120.300 -0.007 0.000 2.392 93 Y HA 0.398 4.948 4.550 -0.000 0.000 0.323 93 Y C 1.503 177.364 175.900 -0.065 0.000 1.291 93 Y CA -0.419 57.677 58.100 -0.007 0.000 1.345 93 Y CB 0.796 39.280 38.460 0.041 0.000 1.320 93 Y HN 0.190 nan 8.280 nan 0.000 0.518 94 N N -0.915 117.865 118.700 0.134 0.000 2.235 94 N HA 0.046 4.786 4.740 -0.000 0.000 0.209 94 N C -0.740 174.743 175.510 -0.044 0.000 1.122 94 N CA -0.174 52.876 53.050 0.000 0.000 0.845 94 N CB 0.018 38.508 38.487 0.005 0.000 1.004 94 N HN 0.566 nan 8.380 nan 0.000 0.499 95 Q N 0.447 120.239 119.800 -0.013 0.000 2.364 95 Q HA 0.217 4.557 4.340 -0.000 0.000 0.267 95 Q C 0.042 175.961 176.000 -0.134 0.000 0.999 95 Q CA 0.282 56.080 55.803 -0.008 0.000 0.886 95 Q CB 0.748 29.548 28.738 0.103 0.000 1.243 95 Q HN 0.501 nan 8.270 nan 0.000 0.415 96 T N -0.837 113.703 114.554 -0.024 0.000 2.930 96 T HA 0.506 4.855 4.350 -0.000 0.000 0.290 96 T C -0.822 173.977 174.700 0.164 0.000 1.052 96 T CA -0.983 61.126 62.100 0.014 0.000 1.017 96 T CB 1.875 70.740 68.868 -0.005 0.000 1.137 96 T HN 0.556 nan 8.240 nan 0.000 0.511 97 Q N 0.240 120.188 119.800 0.246 0.000 2.294 97 Q HA 0.624 4.964 4.340 -0.000 0.000 0.264 97 Q C -1.389 174.755 176.000 0.239 0.000 0.992 97 Q CA -0.805 55.068 55.803 0.116 0.000 0.747 97 Q CB 1.631 30.296 28.738 -0.122 0.000 1.262 97 Q HN 1.081 nan 8.270 nan 0.000 0.452 98 A N 3.388 126.322 122.820 0.190 0.000 2.311 98 A HA 0.900 5.220 4.320 -0.000 0.000 0.334 98 A C -1.536 176.168 177.584 0.200 0.000 1.139 98 A CA -0.446 51.703 52.037 0.188 0.000 0.830 98 A CB 0.620 19.695 19.000 0.125 0.000 1.234 98 A HN 0.812 nan 8.150 nan 0.000 0.483 99 W N -0.415 120.826 121.300 -0.098 0.000 3.146 99 W HA 0.684 5.344 4.660 -0.001 0.000 0.319 99 W C -1.206 175.259 176.519 -0.090 0.000 1.258 99 W CA -0.231 56.952 57.345 -0.271 0.000 1.189 99 W CB 0.873 30.066 29.460 -0.444 0.000 1.412 99 W HN 0.826 nan 8.180 nan 0.000 0.567 100 T N 1.535 116.022 114.554 -0.112 0.000 2.916 100 T HA 0.699 5.049 4.350 -0.000 0.000 0.305 100 T C -1.454 173.303 174.700 0.096 0.000 1.119 100 T CA -0.377 61.699 62.100 -0.041 0.000 1.008 100 T CB 1.556 70.353 68.868 -0.118 0.000 1.129 100 T HN 0.576 nan 8.240 nan 0.000 0.480 101 S N 2.393 118.220 115.700 0.211 0.000 2.542 101 S HA 0.934 5.404 4.470 -0.000 0.000 0.293 101 S C -1.447 173.090 174.600 -0.105 0.000 1.089 101 S CA -0.662 57.691 58.200 0.255 0.000 0.961 101 S CB 0.977 64.619 63.200 0.736 0.000 1.062 101 S HN 0.686 nan 8.310 nan 0.000 0.483 102 F N -0.014 119.924 119.950 -0.021 0.000 2.668 102 F HA 0.733 5.259 4.527 -0.001 0.000 0.309 102 F C -2.044 173.883 175.800 0.211 0.000 1.117 102 F CA -1.351 56.585 58.000 -0.106 0.000 0.951 102 F CB 0.662 39.564 39.000 -0.164 0.000 1.323 102 F HN 0.346 nan 8.300 nan 0.000 0.451 103 L N 3.205 124.760 121.223 0.553 0.000 2.331 103 L HA 0.663 5.003 4.340 -0.000 0.000 0.275 103 L C -1.022 176.412 176.870 0.940 0.000 1.022 103 L CA -1.111 54.042 54.840 0.522 0.000 0.812 103 L CB 1.776 43.931 42.059 0.161 0.000 1.257 103 L HN 0.855 nan 8.230 nan 0.000 0.435 104 Y N -0.007 120.766 120.300 0.788 0.000 2.670 104 Y HA 0.554 5.103 4.550 -0.000 0.000 0.334 104 Y C -0.273 175.756 175.900 0.215 0.000 1.185 104 Y CA -1.883 56.617 58.100 0.666 0.000 1.053 104 Y CB 1.299 40.133 38.460 0.622 0.000 1.298 104 Y HN 0.440 nan 8.280 nan 0.000 0.459 105 S N -0.532 114.920 115.700 -0.414 0.000 2.993 105 S HA 0.383 4.853 4.470 -0.000 0.000 0.257 105 S C -0.879 173.073 174.600 -1.079 0.000 0.997 105 S CA 0.188 57.658 58.200 -1.217 0.000 1.191 105 S CB -0.578 61.975 63.200 -1.077 0.000 1.143 105 S HN 1.130 nan 8.310 nan 0.000 0.655 106 H N 0.652 119.379 119.070 -0.571 0.000 3.064 106 H HA 0.496 5.052 4.556 -0.001 0.000 0.352 106 H C -1.578 173.830 175.328 0.133 0.000 1.260 106 H CA -0.266 55.654 56.048 -0.214 0.000 1.160 106 H CB 1.175 30.854 29.762 -0.139 0.000 1.879 106 H HN 0.031 nan 8.280 nan 0.000 0.544 107 D N 1.410 121.608 120.400 -0.337 0.000 2.515 107 D HA 0.369 5.008 4.640 -0.000 0.000 0.232 107 D C -0.407 176.000 176.300 0.178 0.000 1.157 107 D CA 1.382 55.368 54.000 -0.023 0.000 0.871 107 D CB 0.559 41.236 40.800 -0.205 0.000 1.200 107 D HN 0.672 nan 8.370 nan 0.000 0.466 108 A N 1.367 124.314 122.820 0.212 0.000 2.549 108 A HA 0.588 4.907 4.320 -0.000 0.000 0.297 108 A C -0.525 177.091 177.584 0.053 0.000 1.061 108 A CA -0.771 51.347 52.037 0.134 0.000 0.690 108 A CB 1.612 20.696 19.000 0.140 0.000 1.287 108 A HN 0.328 nan 8.150 nan 0.000 0.402 109 T N 1.539 116.106 114.554 0.021 0.000 2.744 109 T HA 0.484 4.834 4.350 -0.000 0.000 0.291 109 T C -0.360 174.419 174.700 0.132 0.000 0.957 109 T CA -0.180 61.980 62.100 0.100 0.000 1.002 109 T CB 0.884 69.862 68.868 0.185 0.000 0.919 109 T HN 0.489 nan 8.240 nan 0.000 0.468 110 V N 4.837 124.836 119.914 0.143 0.000 2.333 110 V HA 0.342 4.462 4.120 -0.000 0.000 0.274 110 V C 0.401 176.558 176.094 0.105 0.000 1.028 110 V CA -0.707 61.663 62.300 0.116 0.000 0.851 110 V CB 1.031 32.956 31.823 0.171 0.000 1.000 110 V HN 0.704 nan 8.190 nan 0.000 0.456 111 K N 6.216 126.659 120.400 0.072 0.000 2.253 111 K HA 0.568 4.888 4.320 -0.000 0.000 0.277 111 K C -0.957 175.537 176.600 -0.177 0.000 1.053 111 K CA -0.449 55.703 56.287 -0.226 0.000 0.892 111 K CB 0.707 32.957 32.500 -0.417 0.000 1.102 111 K HN 0.618 nan 8.250 nan 0.000 0.469 112 I N 2.972 123.440 120.570 -0.169 0.000 2.354 112 I HA 0.211 4.381 4.170 -0.000 0.000 0.292 112 I C -0.412 175.699 176.117 -0.010 0.000 0.989 112 I CA -0.578 60.711 61.300 -0.018 0.000 1.188 112 I CB 2.021 40.092 38.000 0.117 0.000 1.342 112 I HN 0.537 nan 8.210 nan 0.000 0.457 113 S N 5.752 121.453 115.700 0.000 0.000 2.568 113 S HA 0.657 5.127 4.470 -0.000 0.000 0.293 113 S C -0.274 174.314 174.600 -0.019 0.000 1.089 113 S CA -0.889 57.295 58.200 -0.026 0.000 0.945 113 S CB 2.564 65.709 63.200 -0.092 0.000 1.077 113 S HN 0.530 nan 8.310 nan 0.000 0.485 114 R N 0.747 121.200 120.500 -0.078 0.000 3.287 114 R HA 0.468 4.808 4.340 -0.000 0.000 0.221 114 R C -0.490 175.717 176.300 -0.156 0.000 1.684 114 R CA -0.909 55.086 56.100 -0.176 0.000 0.976 114 R CB 0.050 30.183 30.300 -0.279 0.000 2.102 114 R HN 0.767 nan 8.270 nan 0.000 0.541 115 N N -1.168 117.427 118.700 -0.175 0.000 2.458 115 N HA 0.132 4.872 4.740 -0.000 0.000 0.271 115 N C 0.915 176.364 175.510 -0.101 0.000 1.210 115 N CA -0.360 52.609 53.050 -0.135 0.000 0.978 115 N CB 0.384 38.786 38.487 -0.142 0.000 1.206 115 N HN 0.571 nan 8.380 nan 0.000 0.536 116 G N -1.419 107.331 108.800 -0.083 0.000 2.527 116 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.219 116 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.219 116 G C 0.793 175.660 174.900 -0.056 0.000 1.117 116 G CA 1.020 46.082 45.100 -0.063 0.000 0.759 116 G HN 0.741 nan 8.290 nan 0.000 0.556 117 S N -0.774 114.886 115.700 -0.066 0.000 2.557 117 S HA 0.364 4.834 4.470 -0.000 0.000 0.223 117 S C 0.638 175.201 174.600 -0.062 0.000 0.969 117 S CA -0.352 57.814 58.200 -0.058 0.000 0.927 117 S CB 0.476 63.641 63.200 -0.060 0.000 0.806 117 S HN 0.018 nan 8.310 nan 0.000 0.489 118 S N 2.364 118.021 115.700 -0.072 0.000 2.489 118 S HA 0.727 5.197 4.470 -0.000 0.000 0.277 118 S C 0.432 175.011 174.600 -0.035 0.000 1.230 118 S CA -0.538 57.617 58.200 -0.074 0.000 1.053 118 S CB 1.188 64.318 63.200 -0.117 0.000 0.955 118 S HN 0.698 nan 8.310 nan 0.000 0.488 119 A N 2.747 125.556 122.820 -0.019 0.000 2.257 119 A HA 0.480 4.800 4.320 -0.000 0.000 0.289 119 A C 0.349 177.950 177.584 0.028 0.000 1.095 119 A CA -0.697 51.340 52.037 0.001 0.000 0.836 119 A CB 0.024 19.023 19.000 -0.002 0.000 1.111 119 A HN 0.729 nan 8.150 nan 0.000 0.497 120 N N 0.536 119.249 118.700 0.021 0.000 2.421 120 N HA 0.190 4.930 4.740 -0.000 0.000 0.260 120 N C -0.527 174.970 175.510 -0.022 0.000 1.173 120 N CA 0.472 53.535 53.050 0.021 0.000 0.960 120 N CB 0.126 38.608 38.487 -0.009 0.000 1.273 120 N HN 0.487 nan 8.380 nan 0.000 0.497 121 S N 2.973 118.714 115.700 0.067 0.000 2.489 121 S HA 0.307 4.777 4.470 -0.000 0.000 0.291 121 S C -0.128 174.450 174.600 -0.037 0.000 1.151 121 S CA -0.928 57.311 58.200 0.065 0.000 1.082 121 S CB 0.348 63.685 63.200 0.229 0.000 1.019 121 S HN 0.754 nan 8.310 nan 0.000 0.492 122 N N 2.312 120.922 118.700 -0.149 0.000 2.479 122 N HA 0.275 5.014 4.740 -0.000 0.000 0.257 122 N C -0.433 175.055 175.510 -0.037 0.000 1.232 122 N CA -0.086 52.847 53.050 -0.195 0.000 0.920 122 N CB 0.746 39.157 38.487 -0.128 0.000 1.105 122 N HN 0.461 nan 8.380 nan 0.000 0.444 123 V N 0.337 120.273 119.914 0.036 0.000 2.815 123 V HA 0.767 4.887 4.120 -0.000 0.000 0.314 123 V C -0.546 175.520 176.094 -0.046 0.000 1.064 123 V CA -0.876 61.343 62.300 -0.134 0.000 0.952 123 V CB 1.647 33.249 31.823 -0.369 0.000 1.020 123 V HN 0.349 nan 8.190 nan 0.000 0.439 124 V N 4.689 124.564 119.914 -0.065 0.000 2.487 124 V HA 0.517 4.636 4.120 -0.000 0.000 0.298 124 V C -0.378 175.689 176.094 -0.044 0.000 1.028 124 V CA -0.483 61.792 62.300 -0.040 0.000 0.860 124 V CB 1.581 33.391 31.823 -0.021 0.000 0.991 124 V HN 0.750 nan 8.190 nan 0.000 0.427 125 I N 5.291 125.819 120.570 -0.070 0.000 2.331 125 I HA 0.527 4.697 4.170 -0.000 0.000 0.292 125 I C 0.283 176.347 176.117 -0.089 0.000 0.998 125 I CA -0.268 60.993 61.300 -0.066 0.000 1.267 125 I CB 1.409 39.287 38.000 -0.203 0.000 1.386 125 I HN 0.554 nan 8.210 nan 0.000 0.476 126 R N 7.138 127.633 120.500 -0.009 0.000 2.534 126 R HA 0.439 4.779 4.340 -0.000 0.000 0.301 126 R C -2.533 173.798 176.300 0.051 0.000 0.961 126 R CA -1.757 54.312 56.100 -0.050 0.000 0.871 126 R CB 2.116 32.340 30.300 -0.126 0.000 1.170 126 R HN 0.345 nan 8.270 nan 0.000 0.446 127 P HA -0.058 nan 4.420 nan 0.000 0.268 127 P C 0.710 177.911 177.300 -0.165 0.000 1.204 127 P CA 0.153 63.198 63.100 -0.091 0.000 0.768 127 P CB 0.823 32.486 31.700 -0.061 0.000 0.842 128 T N -1.452 113.012 114.554 -0.151 0.000 3.051 128 T HA -0.110 4.240 4.350 -0.000 0.000 0.269 128 T C 1.598 176.198 174.700 -0.168 0.000 1.127 128 T CA 1.203 63.207 62.100 -0.159 0.000 1.107 128 T CB -0.904 67.893 68.868 -0.118 0.000 0.898 128 T HN 0.458 nan 8.240 nan 0.000 0.517 129 S N 1.132 116.740 115.700 -0.153 0.000 2.481 129 S HA 0.050 4.519 4.470 -0.000 0.000 0.231 129 S C 1.771 176.257 174.600 -0.189 0.000 0.996 129 S CA 0.113 58.237 58.200 -0.128 0.000 0.942 129 S CB -0.665 62.488 63.200 -0.077 0.000 0.768 129 S HN 0.294 nan 8.310 nan 0.000 0.520 130 L N 2.213 123.226 121.223 -0.351 0.000 2.012 130 L HA 0.054 4.394 4.340 -0.000 0.000 0.210 130 L C 1.250 177.815 176.870 -0.508 0.000 1.073 130 L CA 1.409 55.857 54.840 -0.654 0.000 0.748 130 L CB -1.971 39.246 42.059 -1.403 0.000 0.891 130 L HN 0.508 nan 8.230 nan 0.000 0.431 131 N N -1.084 117.379 118.700 -0.394 0.000 2.725 131 N HA -0.269 4.471 4.740 -0.000 0.000 0.251 131 N C -0.330 175.162 175.510 -0.029 0.000 1.031 131 N CA 0.224 53.169 53.050 -0.175 0.000 0.720 131 N CB -1.316 37.120 38.487 -0.085 0.000 0.930 131 N HN 0.269 nan 8.380 nan 0.000 0.543 132 F N -0.079 119.741 119.950 -0.217 0.000 2.418 132 F HA 0.304 4.831 4.527 -0.000 0.000 0.341 132 F C -1.054 174.653 175.800 -0.155 0.000 1.120 132 F CA -2.175 55.691 58.000 -0.223 0.000 1.232 132 F CB 0.542 39.336 39.000 -0.343 0.000 1.175 132 F HN 0.064 nan 8.300 nan 0.000 0.569 133 P HA 0.106 nan 4.420 nan 0.000 0.268 133 P C -1.182 176.109 177.300 -0.016 0.000 1.204 133 P CA 0.058 63.162 63.100 0.008 0.000 0.768 133 P CB 0.893 32.586 31.700 -0.011 0.000 0.842 134 V N 4.413 124.292 119.914 -0.058 0.000 2.623 134 V HA 0.543 4.663 4.120 -0.000 0.000 0.304 134 V C -0.009 175.942 176.094 -0.239 0.000 1.054 134 V CA -0.619 61.588 62.300 -0.155 0.000 0.882 134 V CB 1.914 33.615 31.823 -0.203 0.000 1.002 134 V HN 0.579 nan 8.190 nan 0.000 0.424 135 R N 3.327 123.670 120.500 -0.263 0.000 2.744 135 R HA 0.727 5.066 4.340 -0.000 0.000 0.279 135 R C -2.058 174.083 176.300 -0.265 0.000 0.977 135 R CA -0.775 55.200 56.100 -0.209 0.000 0.906 135 R CB 1.820 32.084 30.300 -0.059 0.000 1.197 135 R HN 0.493 nan 8.270 nan 0.000 0.463 136 Y N 0.518 120.902 120.300 0.140 0.000 2.360 136 Y HA 0.446 4.996 4.550 -0.000 0.000 0.337 136 Y C -0.594 175.404 175.900 0.163 0.000 1.039 136 Y CA -0.544 57.650 58.100 0.156 0.000 1.109 136 Y CB 2.139 40.654 38.460 0.092 0.000 1.201 136 Y HN 0.788 nan 8.280 nan 0.000 0.458 137 D N 1.863 122.474 120.400 0.353 0.000 2.861 137 D HA 0.167 4.807 4.640 -0.000 0.000 0.216 137 D C -1.056 175.373 176.300 0.214 0.000 1.323 137 D CA -0.532 53.622 54.000 0.256 0.000 0.917 137 D CB 0.648 41.582 40.800 0.224 0.000 1.582 137 D HN 0.522 nan 8.370 nan 0.000 0.576 138 N N 3.350 122.128 118.700 0.130 0.000 2.667 138 N HA -0.262 4.478 4.740 -0.000 0.000 0.263 138 N C -0.612 174.940 175.510 0.070 0.000 1.038 138 N CA 1.376 54.475 53.050 0.080 0.000 0.749 138 N CB -0.492 38.030 38.487 0.058 0.000 0.892 138 N HN 0.565 nan 8.380 nan 0.000 0.546 139 Q N -2.101 117.750 119.800 0.087 0.000 2.480 139 Q HA -0.192 4.147 4.340 -0.000 0.000 0.265 139 Q C -0.910 175.137 176.000 0.079 0.000 1.072 139 Q CA 1.687 57.536 55.803 0.077 0.000 1.018 139 Q CB -1.748 27.006 28.738 0.027 0.000 1.433 139 Q HN 0.599 nan 8.270 nan 0.000 0.513 140 S N -1.353 114.401 115.700 0.091 0.000 2.570 140 S HA 0.803 5.273 4.470 -0.000 0.000 0.286 140 S C -0.513 174.077 174.600 -0.018 0.000 1.099 140 S CA -0.724 57.459 58.200 -0.027 0.000 0.913 140 S CB 2.471 65.537 63.200 -0.223 0.000 1.085 140 S HN 0.041 nan 8.310 nan 0.000 0.480 141 V N 2.698 122.546 119.914 -0.110 0.000 2.459 141 V HA 0.463 4.583 4.120 -0.000 0.000 0.295 141 V C -1.561 174.330 176.094 -0.338 0.000 1.029 141 V CA -0.562 61.662 62.300 -0.127 0.000 0.874 141 V CB 0.931 32.747 31.823 -0.013 0.000 0.985 141 V HN 0.857 nan 8.190 nan 0.000 0.438 142 Y N 4.665 124.891 120.300 -0.124 0.000 2.345 142 Y HA 0.612 5.162 4.550 -0.001 0.000 0.331 142 Y C 0.103 175.957 175.900 -0.076 0.000 0.959 142 Y CA -0.501 57.563 58.100 -0.060 0.000 1.204 142 Y CB 1.413 39.846 38.460 -0.044 0.000 1.135 142 Y HN 0.446 nan 8.280 nan 0.000 0.477 143 I N 3.450 124.079 120.570 0.099 0.000 2.339 143 I HA 0.261 4.431 4.170 -0.000 0.000 0.290 143 I C -0.266 175.883 176.117 0.052 0.000 0.994 143 I CA -0.581 60.757 61.300 0.064 0.000 1.191 143 I CB 1.612 39.679 38.000 0.111 0.000 1.343 143 I HN 0.525 nan 8.210 nan 0.000 0.458 144 T N 6.076 120.619 114.554 -0.018 0.000 2.739 144 T HA 0.251 4.600 4.350 -0.000 0.000 0.298 144 T C 0.068 174.579 174.700 -0.316 0.000 0.929 144 T CA -0.329 61.721 62.100 -0.083 0.000 1.014 144 T CB 0.515 69.342 68.868 -0.069 0.000 0.914 144 T HN 0.190 nan 8.240 nan 0.000 0.509 145 V N 7.902 127.648 119.914 -0.280 0.000 2.348 145 V HA 0.269 4.389 4.120 -0.000 0.000 0.270 145 V C -2.108 173.834 176.094 -0.254 0.000 1.037 145 V CA -2.201 59.770 62.300 -0.549 0.000 0.872 145 V CB 0.780 32.537 31.823 -0.110 0.000 1.002 145 V HN 0.627 nan 8.190 nan 0.000 0.464 146 P HA 0.097 nan 4.420 nan 0.000 0.271 146 P C -0.785 176.684 177.300 0.282 0.000 1.216 146 P CA -0.188 62.872 63.100 -0.068 0.000 0.776 146 P CB 0.317 31.942 31.700 -0.124 0.000 0.881 147 Y N 2.650 123.011 120.300 0.102 0.000 2.411 147 Y HA 0.380 4.930 4.550 -0.001 0.000 0.333 147 Y C 0.172 176.080 175.900 0.012 0.000 1.186 147 Y CA 0.499 58.544 58.100 -0.092 0.000 1.381 147 Y CB 0.545 38.788 38.460 -0.363 0.000 1.273 147 Y HN 0.275 nan 8.280 nan 0.000 0.546 148 S N 7.136 122.213 115.700 -1.038 0.000 2.548 148 S HA 0.395 4.865 4.470 -0.000 0.000 0.276 148 S C -2.103 171.858 174.600 -1.065 0.000 1.129 148 S CA -1.494 56.215 58.200 -0.817 0.000 0.931 148 S CB 1.680 64.603 63.200 -0.462 0.000 1.068 148 S HN 0.594 nan 8.310 nan 0.000 0.480 149 P HA -0.067 nan 4.420 nan 0.000 0.221 149 P C 1.006 178.199 177.300 -0.179 0.000 1.145 149 P CA 1.323 64.228 63.100 -0.326 0.000 0.795 149 P CB -0.324 31.297 31.700 -0.132 0.000 0.775 150 T N -5.272 109.142 114.554 -0.233 0.000 3.069 150 T HA 0.440 4.790 4.350 -0.000 0.000 0.252 150 T C 1.089 175.694 174.700 -0.159 0.000 1.053 150 T CA 0.239 62.246 62.100 -0.155 0.000 0.964 150 T CB -0.451 68.318 68.868 -0.166 0.000 1.005 150 T HN 0.326 nan 8.240 nan 0.000 0.532 151 G N 1.046 109.721 108.800 -0.208 0.000 2.692 151 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.248 151 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.248 151 G C -0.912 173.801 174.900 -0.311 0.000 1.340 151 G CA -0.280 44.797 45.100 -0.038 0.000 0.896 151 G HN 0.577 nan 8.290 nan 0.000 0.570 152 Y N -1.003 119.454 120.300 0.262 0.000 2.562 152 Y HA 0.753 5.302 4.550 -0.000 0.000 0.345 152 Y C 0.519 176.619 175.900 0.333 0.000 1.045 152 Y CA -0.939 57.363 58.100 0.336 0.000 1.028 152 Y CB 2.426 41.214 38.460 0.546 0.000 1.297 152 Y HN 0.623 nan 8.280 nan 0.000 0.463 153 R N 2.592 123.409 120.500 0.528 0.000 2.507 153 R HA 0.561 4.901 4.340 -0.000 0.000 0.298 153 R C -1.749 174.848 176.300 0.495 0.000 1.087 153 R CA -0.454 55.914 56.100 0.448 0.000 0.917 153 R CB 1.077 31.546 30.300 0.282 0.000 1.173 153 R HN 0.553 nan 8.270 nan 0.000 0.472 154 F N -1.273 118.830 119.950 0.256 0.000 2.650 154 F HA 0.735 5.262 4.527 -0.001 0.000 0.320 154 F C -0.490 175.369 175.800 0.099 0.000 1.091 154 F CA -1.314 56.784 58.000 0.164 0.000 0.962 154 F CB 1.843 40.891 39.000 0.080 0.000 1.363 154 F HN 0.202 nan 8.300 nan 0.000 0.482 155 S N 0.906 116.804 115.700 0.330 0.000 2.451 155 S HA 0.715 5.185 4.470 -0.000 0.000 0.301 155 S C -1.345 173.398 174.600 0.237 0.000 1.116 155 S CA -0.511 57.831 58.200 0.237 0.000 1.093 155 S CB 1.209 64.620 63.200 0.350 0.000 1.017 155 S HN 0.626 nan 8.310 nan 0.000 0.482 156 V N 5.971 125.964 119.914 0.132 0.000 2.328 156 V HA 0.420 4.539 4.120 -0.000 0.000 0.278 156 V C -0.357 175.751 176.094 0.022 0.000 1.021 156 V CA -0.506 61.827 62.300 0.054 0.000 0.838 156 V CB 1.095 32.916 31.823 -0.003 0.000 0.999 156 V HN 0.879 nan 8.190 nan 0.000 0.447 157 E N 4.966 125.162 120.200 -0.005 0.000 2.155 157 E HA 0.445 4.795 4.350 -0.000 0.000 0.264 157 E C -1.369 175.233 176.600 0.004 0.000 0.886 157 E CA -0.587 55.868 56.400 0.091 0.000 0.752 157 E CB 1.748 31.531 29.700 0.139 0.000 1.133 157 E HN 0.462 nan 8.360 nan 0.000 0.414 158 F N 2.352 122.374 119.950 0.121 0.000 2.445 158 F HA 0.071 4.598 4.527 -0.000 0.000 0.359 158 F C 1.434 177.287 175.800 0.088 0.000 1.101 158 F CA -0.339 57.731 58.000 0.116 0.000 1.177 158 F CB 0.626 39.714 39.000 0.147 0.000 1.110 158 F HN 0.415 nan 8.300 nan 0.000 0.522 159 D N 1.395 121.904 120.400 0.181 0.000 2.149 159 D HA -0.223 4.417 4.640 -0.000 0.000 0.194 159 D C 1.674 178.048 176.300 0.123 0.000 1.001 159 D CA 1.813 55.884 54.000 0.118 0.000 0.849 159 D CB -0.273 40.565 40.800 0.063 0.000 0.939 159 D HN 0.618 nan 8.370 nan 0.000 0.449 160 D N -0.535 119.953 120.400 0.146 0.000 2.363 160 D HA -0.090 4.549 4.640 -0.000 0.000 0.226 160 D C 0.908 177.266 176.300 0.096 0.000 1.020 160 D CA 0.352 54.411 54.000 0.098 0.000 0.892 160 D CB -0.156 40.688 40.800 0.073 0.000 0.900 160 D HN 0.143 nan 8.370 nan 0.000 0.531 161 D N -0.614 119.876 120.400 0.150 0.000 2.407 161 D HA 0.096 4.736 4.640 -0.000 0.000 0.208 161 D C 0.314 176.686 176.300 0.120 0.000 1.083 161 D CA -0.218 53.861 54.000 0.133 0.000 0.844 161 D CB 0.226 41.150 40.800 0.207 0.000 0.967 161 D HN 0.105 nan 8.370 nan 0.000 0.506 162 L N 1.898 123.189 121.223 0.114 0.000 2.456 162 L HA 0.261 4.601 4.340 -0.000 0.000 0.272 162 L C 0.512 177.413 176.870 0.053 0.000 1.189 162 L CA -0.125 54.766 54.840 0.085 0.000 0.846 162 L CB 0.668 42.773 42.059 0.077 0.000 1.111 162 L HN 0.122 nan 8.230 nan 0.000 0.475 163 I N -1.460 119.130 120.570 0.034 0.000 3.145 163 I HA 0.551 4.720 4.170 -0.000 0.000 0.313 163 I C -0.500 175.615 176.117 -0.005 0.000 1.122 163 I CA -0.752 60.556 61.300 0.014 0.000 0.987 163 I CB 2.269 40.273 38.000 0.007 0.000 1.236 163 I HN 0.301 nan 8.210 nan 0.000 0.453 164 S N 3.327 119.024 115.700 -0.004 0.000 2.442 164 S HA 0.599 5.069 4.470 -0.000 0.000 0.297 164 S C -0.359 174.220 174.600 -0.035 0.000 1.131 164 S CA -0.623 57.572 58.200 -0.008 0.000 1.092 164 S CB 0.943 64.153 63.200 0.016 0.000 0.998 164 S HN 0.363 nan 8.310 nan 0.000 0.478 165 L N 3.148 124.322 121.223 -0.082 0.000 2.257 165 L HA 0.541 4.880 4.340 -0.000 0.000 0.290 165 L C 0.528 177.419 176.870 0.035 0.000 1.044 165 L CA -0.663 54.077 54.840 -0.167 0.000 0.810 165 L CB 0.815 42.601 42.059 -0.454 0.000 1.193 165 L HN 0.662 nan 8.230 nan 0.000 0.425 166 A N 5.886 128.802 122.820 0.160 0.000 2.340 166 A HA 0.538 4.858 4.320 -0.000 0.000 0.268 166 A C -1.474 176.260 177.584 0.251 0.000 1.100 166 A CA -0.982 51.162 52.037 0.179 0.000 0.803 166 A CB 0.162 19.254 19.000 0.153 0.000 1.043 166 A HN 0.666 nan 8.150 nan 0.000 0.488 167 P HA 0.018 nan 4.420 nan 0.000 0.261 167 P C 0.960 178.332 177.300 0.120 0.000 1.268 167 P CA 0.800 63.977 63.100 0.130 0.000 0.833 167 P CB 0.333 32.100 31.700 0.111 0.000 1.231 168 S N -0.238 115.544 115.700 0.137 0.000 2.428 168 S HA 0.096 4.565 4.470 -0.000 0.000 0.230 168 S C 1.844 176.500 174.600 0.093 0.000 1.014 168 S CA 1.115 59.390 58.200 0.125 0.000 0.957 168 S CB -1.531 61.756 63.200 0.144 0.000 0.784 168 S HN 0.282 nan 8.310 nan 0.000 0.499 169 G N 1.129 109.974 108.800 0.075 0.000 2.148 169 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.254 169 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.254 169 G C 0.249 175.174 174.900 0.041 0.000 0.981 169 G CA 0.113 45.245 45.100 0.054 0.000 0.670 169 G HN 1.395 nan 8.290 nan 0.000 0.528 170 A N 0.330 123.172 122.820 0.037 0.000 2.546 170 A HA 0.526 4.846 4.320 -0.000 0.000 0.243 170 A C 0.859 178.444 177.584 0.001 0.000 1.063 170 A CA 0.295 52.349 52.037 0.028 0.000 0.757 170 A CB 0.233 19.248 19.000 0.025 0.000 0.991 170 A HN 0.362 nan 8.150 nan 0.000 0.503 171 R N 2.627 123.139 120.500 0.020 0.000 2.196 171 R HA 0.339 4.679 4.340 -0.000 0.000 0.340 171 R C -0.423 175.877 176.300 0.001 0.000 1.043 171 R CA 0.164 56.273 56.100 0.016 0.000 0.883 171 R CB 0.653 30.974 30.300 0.035 0.000 1.078 171 R HN 0.884 nan 8.270 nan 0.000 0.462 172 Q N 2.441 122.219 119.800 -0.038 0.000 2.456 172 Q HA 0.446 4.786 4.340 -0.000 0.000 0.283 172 Q C -2.609 173.414 176.000 0.039 0.000 1.084 172 Q CA -2.255 53.489 55.803 -0.098 0.000 0.801 172 Q CB 2.929 31.544 28.738 -0.204 0.000 1.434 172 Q HN 0.213 nan 8.270 nan 0.000 0.419 173 P HA -0.066 nan 4.420 nan 0.000 0.268 173 P C -0.129 177.272 177.300 0.168 0.000 1.204 173 P CA 0.395 63.619 63.100 0.206 0.000 0.768 173 P CB 0.641 32.534 31.700 0.321 0.000 0.842 174 E N 3.038 123.312 120.200 0.124 0.000 2.158 174 E HA -0.082 4.267 4.350 -0.000 0.000 0.191 174 E C -0.113 176.542 176.600 0.092 0.000 0.982 174 E CA 0.728 57.175 56.400 0.078 0.000 0.823 174 E CB 0.109 29.835 29.700 0.045 0.000 0.766 174 E HN 0.379 nan 8.360 nan 0.000 0.468 175 N N 1.024 119.814 118.700 0.149 0.000 2.746 175 N HA 0.239 4.979 4.740 -0.000 0.000 0.250 175 N C -1.184 174.510 175.510 0.306 0.000 1.146 175 N CA -0.099 53.068 53.050 0.194 0.000 0.828 175 N CB 1.621 40.196 38.487 0.147 0.000 1.158 175 N HN 0.088 nan 8.380 nan 0.000 0.519 176 A N 1.569 124.505 122.820 0.192 0.000 2.425 176 A HA 0.380 4.700 4.320 -0.000 0.000 0.242 176 A C -0.045 177.579 177.584 0.065 0.000 1.077 176 A CA 0.034 52.168 52.037 0.163 0.000 0.781 176 A CB 0.314 19.298 19.000 -0.026 0.000 1.020 176 A HN 0.568 nan 8.150 nan 0.000 0.494 177 L N 2.419 123.615 121.223 -0.045 0.000 2.446 177 L HA 0.568 4.908 4.340 -0.000 0.000 0.268 177 L C -1.198 175.559 176.870 -0.189 0.000 0.975 177 L CA -0.009 54.689 54.840 -0.237 0.000 0.848 177 L CB 1.139 42.818 42.059 -0.634 0.000 1.225 177 L HN 0.600 nan 8.230 nan 0.000 0.410 178 L N 5.511 126.571 121.223 -0.273 0.000 2.325 178 L HA 0.616 4.955 4.340 -0.000 0.000 0.278 178 L C -0.663 175.759 176.870 -0.747 0.000 1.023 178 L CA -0.808 53.719 54.840 -0.521 0.000 0.811 178 L CB 1.822 43.422 42.059 -0.765 0.000 1.249 178 L HN 0.409 nan 8.230 nan 0.000 0.431 179 I N 2.968 122.997 120.570 -0.901 0.000 2.389 179 I HA 0.335 4.505 4.170 -0.000 0.000 0.288 179 I C -0.559 175.183 176.117 -0.625 0.000 0.999 179 I CA -0.257 60.539 61.300 -0.839 0.000 1.129 179 I CB 1.185 38.515 38.000 -1.117 0.000 1.288 179 I HN 0.457 nan 8.210 nan 0.000 0.444 180 F N 4.971 124.750 119.950 -0.284 0.000 2.359 180 F HA 0.555 5.081 4.527 -0.000 0.000 0.370 180 F C 0.647 176.225 175.800 -0.371 0.000 1.077 180 F CA -0.973 56.903 58.000 -0.207 0.000 1.136 180 F CB 1.396 40.368 39.000 -0.046 0.000 1.387 180 F HN 0.534 nan 8.300 nan 0.000 0.468 181 A N 2.505 125.158 122.820 -0.279 0.000 2.302 181 A HA 0.676 4.995 4.320 -0.000 0.000 0.295 181 A C -0.167 177.351 177.584 -0.109 0.000 1.235 181 A CA -0.195 51.373 52.037 -0.782 0.000 0.876 181 A CB 0.494 19.041 19.000 -0.756 0.000 1.133 181 A HN 0.555 nan 8.150 nan 0.000 0.533 182 S N 3.475 119.185 115.700 0.016 0.000 2.599 182 S HA 0.755 5.225 4.470 -0.000 0.000 0.294 182 S C -2.788 172.096 174.600 0.474 0.000 1.094 182 S CA -1.135 57.231 58.200 0.277 0.000 0.931 182 S CB 1.942 65.286 63.200 0.239 0.000 1.093 182 S HN 0.687 nan 8.310 nan 0.000 0.488 183 P HA 0.246 nan 4.420 nan 0.000 0.274 183 P C -0.577 177.016 177.300 0.488 0.000 1.237 183 P CA -0.461 62.926 63.100 0.479 0.000 0.793 183 P CB 0.352 32.248 31.700 0.327 0.000 0.977 184 F N -0.057 120.013 119.950 0.200 0.000 2.586 184 F HA -0.019 4.508 4.527 -0.001 0.000 0.344 184 F C 1.625 177.533 175.800 0.179 0.000 1.188 184 F CA -0.118 57.977 58.000 0.159 0.000 1.359 184 F CB 0.287 39.363 39.000 0.126 0.000 1.129 184 F HN 0.236 nan 8.300 nan 0.000 0.609 185 E N 2.122 122.508 120.200 0.311 0.000 2.259 185 E HA 0.074 4.423 4.350 -0.000 0.000 0.281 185 E C -0.404 176.347 176.600 0.252 0.000 1.037 185 E CA -0.428 56.158 56.400 0.311 0.000 0.854 185 E CB 0.495 30.396 29.700 0.335 0.000 1.051 185 E HN 0.552 nan 8.360 nan 0.000 0.409 186 N N 0.765 119.596 118.700 0.219 0.000 2.418 186 N HA 0.113 4.853 4.740 -0.000 0.000 0.283 186 N C 0.355 175.953 175.510 0.146 0.000 1.267 186 N CA -0.732 52.415 53.050 0.162 0.000 0.975 186 N CB 0.686 39.248 38.487 0.124 0.000 1.167 186 N HN 0.110 nan 8.380 nan 0.000 0.581 187 S N -0.534 115.233 115.700 0.112 0.000 2.469 187 S HA -0.140 4.329 4.470 -0.000 0.000 0.238 187 S C 1.855 176.533 174.600 0.130 0.000 0.998 187 S CA 1.117 59.386 58.200 0.116 0.000 0.957 187 S CB -0.428 62.821 63.200 0.081 0.000 0.764 187 S HN 0.716 nan 8.310 nan 0.000 0.514 188 S N 1.073 116.813 115.700 0.067 0.000 2.496 188 S HA -0.027 4.443 4.470 -0.000 0.000 0.224 188 S C 1.665 176.243 174.600 -0.036 0.000 0.996 188 S CA 0.974 59.143 58.200 -0.052 0.000 0.927 188 S CB -0.394 62.757 63.200 -0.081 0.000 0.774 188 S HN 0.613 nan 8.310 nan 0.000 0.524 189 T N -1.889 112.774 114.554 0.182 0.000 2.985 189 T HA 0.346 4.696 4.350 -0.000 0.000 0.254 189 T C 0.149 175.173 174.700 0.541 0.000 1.021 189 T CA -0.419 61.889 62.100 0.347 0.000 0.957 189 T CB -0.083 68.953 68.868 0.280 0.000 1.047 189 T HN 0.337 nan 8.240 nan 0.000 0.511 190 K N 2.865 123.469 120.400 0.340 0.000 2.502 190 K HA 0.474 4.794 4.320 -0.000 0.000 0.254 190 K C -3.035 173.450 176.600 -0.192 0.000 0.947 190 K CA -2.340 53.864 56.287 -0.138 0.000 0.834 190 K CB 2.013 34.483 32.500 -0.050 0.000 1.112 190 K HN 0.013 nan 8.250 nan 0.000 0.427 191 P HA 0.051 nan 4.420 nan 0.000 0.274 191 P C -0.941 176.145 177.300 -0.357 0.000 1.231 191 P CA -0.398 62.324 63.100 -0.629 0.000 0.790 191 P CB 0.926 31.900 31.700 -1.210 0.000 0.951 192 Q N 2.285 121.977 119.800 -0.179 0.000 2.314 192 Q HA 0.279 4.619 4.340 -0.000 0.000 0.258 192 Q C -1.654 174.265 176.000 -0.134 0.000 0.954 192 Q CA -1.372 54.364 55.803 -0.113 0.000 0.890 192 Q CB -0.068 28.643 28.738 -0.044 0.000 1.210 192 Q HN 0.446 nan 8.270 nan 0.000 0.410 193 P HA 0.183 nan 4.420 nan 0.000 0.277 193 P C 0.285 177.547 177.300 -0.064 0.000 1.240 193 P CA 0.067 63.113 63.100 -0.090 0.000 0.798 193 P CB 0.820 32.485 31.700 -0.059 0.000 0.979 194 G N 0.271 109.033 108.800 -0.063 0.000 2.157 194 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.248 194 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.248 194 G C 0.318 175.192 174.900 -0.044 0.000 0.979 194 G CA 0.224 45.297 45.100 -0.045 0.000 0.650 194 G HN 0.836 nan 8.290 nan 0.000 0.529 195 S N 1.242 116.908 115.700 -0.057 0.000 2.528 195 S HA 0.517 4.987 4.470 -0.000 0.000 0.277 195 S C 0.224 174.799 174.600 -0.042 0.000 1.297 195 S CA -0.439 57.735 58.200 -0.044 0.000 1.052 195 S CB 1.247 64.417 63.200 -0.050 0.000 0.917 195 S HN 0.194 nan 8.310 nan 0.000 0.492 196 P HA -0.041 nan 4.420 nan 0.000 0.225 196 P C -0.026 177.259 177.300 -0.024 0.000 1.148 196 P CA 0.959 64.045 63.100 -0.024 0.000 0.779 196 P CB -0.146 31.545 31.700 -0.014 0.000 0.780 197 N N -0.836 117.851 118.700 -0.022 0.000 2.276 197 N HA 0.089 4.828 4.740 -0.000 0.000 0.212 197 N C -0.156 175.334 175.510 -0.033 0.000 1.127 197 N CA 0.013 53.053 53.050 -0.016 0.000 0.834 197 N CB 0.264 38.755 38.487 0.005 0.000 1.014 197 N HN 0.004 nan 8.380 nan 0.000 0.491 198 S N 0.183 115.846 115.700 -0.062 0.000 2.621 198 S HA 0.565 5.035 4.470 -0.000 0.000 0.302 198 S C -0.762 173.772 174.600 -0.109 0.000 1.093 198 S CA -0.723 57.415 58.200 -0.103 0.000 1.017 198 S CB 1.889 65.003 63.200 -0.143 0.000 1.077 198 S HN 0.124 nan 8.310 nan 0.000 0.517 199 I N 1.308 121.788 120.570 -0.149 0.000 2.534 199 I HA 0.656 4.826 4.170 -0.000 0.000 0.288 199 I C -1.220 174.759 176.117 -0.231 0.000 1.077 199 I CA -0.769 60.437 61.300 -0.156 0.000 1.051 199 I CB 1.336 39.253 38.000 -0.139 0.000 1.234 199 I HN 0.713 nan 8.210 nan 0.000 0.425 200 A N 9.117 131.821 122.820 -0.194 0.000 2.508 200 A HA 0.637 4.956 4.320 -0.000 0.000 0.336 200 A C -2.491 174.991 177.584 -0.171 0.000 1.360 200 A CA -1.281 50.623 52.037 -0.221 0.000 0.841 200 A CB -0.165 18.758 19.000 -0.129 0.000 1.136 200 A HN 0.526 nan 8.150 nan 0.000 0.489 201 P HA 0.287 nan 4.420 nan 0.000 0.267 201 P C 0.174 177.550 177.300 0.126 0.000 1.200 201 P CA 0.158 63.198 63.100 -0.101 0.000 0.772 201 P CB 0.929 32.523 31.700 -0.175 0.000 0.855 202 A N 4.618 127.506 122.820 0.113 0.000 2.332 202 A HA 0.497 4.816 4.320 -0.000 0.000 0.258 202 A C -2.094 175.574 177.584 0.139 0.000 1.087 202 A CA -1.438 50.673 52.037 0.124 0.000 0.802 202 A CB -1.152 17.863 19.000 0.025 0.000 1.042 202 A HN 0.413 nan 8.150 nan 0.000 0.489 203 P HA 0.392 nan 4.420 nan 0.000 0.267 203 P C 0.758 177.897 177.300 -0.268 0.000 1.201 203 P CA 1.732 64.537 63.100 -0.491 0.000 0.775 203 P CB 0.493 31.957 31.700 -0.393 0.000 0.854 204 G N 0.644 109.244 108.800 -0.334 0.000 2.378 204 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.198 204 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.198 204 G C -0.830 173.563 174.900 -0.845 0.000 1.223 204 G CA -0.785 44.085 45.100 -0.383 0.000 1.088 204 G HN 0.687 nan 8.290 nan 0.000 0.530 205 R N -0.026 119.911 120.500 -0.938 0.000 2.449 205 R HA 0.483 4.823 4.340 -0.000 0.000 0.296 205 R C 0.113 176.095 176.300 -0.530 0.000 1.047 205 R CA 0.169 55.726 56.100 -0.905 0.000 1.018 205 R CB 0.370 30.410 30.300 -0.434 0.000 0.962 205 R HN 0.749 nan 8.270 nan 0.000 0.428 206 V N 7.389 126.910 119.914 -0.655 0.000 2.383 206 V HA 0.381 4.501 4.120 -0.000 0.000 0.275 206 V C 0.100 175.942 176.094 -0.419 0.000 1.036 206 V CA -0.442 61.550 62.300 -0.513 0.000 0.889 206 V CB 0.785 32.203 31.823 -0.674 0.000 0.985 206 V HN 0.616 nan 8.190 nan 0.000 0.459 207 L N 3.544 124.649 121.223 -0.196 0.000 2.409 207 L HA 0.822 5.162 4.340 -0.000 0.000 0.262 207 L C 0.943 177.785 176.870 -0.046 0.000 0.992 207 L CA -0.224 54.559 54.840 -0.096 0.000 0.817 207 L CB 2.132 44.144 42.059 -0.078 0.000 1.350 207 L HN 0.759 nan 8.230 nan 0.000 0.411 208 G N 0.993 109.787 108.800 -0.010 0.000 2.194 208 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.236 208 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.236 208 G C 0.640 175.539 174.900 -0.002 0.000 0.987 208 G CA 0.276 45.371 45.100 -0.008 0.000 0.635 208 G HN 0.489 nan 8.290 nan 0.000 0.520 209 L N 1.429 122.664 121.223 0.020 0.000 2.275 209 L HA -0.028 4.312 4.340 -0.000 0.000 0.215 209 L C 2.561 179.440 176.870 0.016 0.000 1.119 209 L CA 1.544 56.396 54.840 0.020 0.000 0.790 209 L CB -0.449 41.653 42.059 0.072 0.000 0.919 209 L HN 0.572 nan 8.230 nan 0.000 0.443 210 N N -0.809 117.901 118.700 0.017 0.000 2.467 210 N HA -0.102 4.637 4.740 -0.000 0.000 0.184 210 N C 1.179 176.690 175.510 0.003 0.000 1.106 210 N CA 1.308 54.357 53.050 -0.001 0.000 0.892 210 N CB -0.305 38.174 38.487 -0.014 0.000 0.969 210 N HN 0.354 nan 8.380 nan 0.000 0.454 211 T N -5.408 109.149 114.554 0.004 0.000 3.144 211 T HA 0.122 4.472 4.350 -0.000 0.000 0.290 211 T C 0.385 175.085 174.700 0.000 0.000 0.966 211 T CA -0.423 61.679 62.100 0.003 0.000 0.907 211 T CB -0.309 68.561 68.868 0.003 0.000 1.152 211 T HN 0.032 nan 8.240 nan 0.000 0.532 212 T N 2.156 116.708 114.554 -0.003 0.000 2.900 212 T HA 0.289 4.639 4.350 -0.000 0.000 0.307 212 T C 1.450 176.149 174.700 -0.001 0.000 1.065 212 T CA 0.431 62.526 62.100 -0.010 0.000 1.105 212 T CB 0.780 69.634 68.868 -0.023 0.000 0.979 212 T HN 0.442 nan 8.240 nan 0.000 0.544 213 S N 2.497 118.194 115.700 -0.005 0.000 2.575 213 S HA 0.409 4.879 4.470 -0.000 0.000 0.215 213 S C 0.931 175.534 174.600 0.004 0.000 0.966 213 S CA -0.132 58.069 58.200 0.002 0.000 0.911 213 S CB -0.092 63.108 63.200 -0.001 0.000 0.780 213 S HN 0.929 nan 8.310 nan 0.000 0.514 214 A N 1.995 124.812 122.820 -0.005 0.000 2.406 214 A HA 0.563 4.883 4.320 -0.000 0.000 0.243 214 A C 1.302 178.899 177.584 0.022 0.000 1.082 214 A CA 0.083 52.116 52.037 -0.007 0.000 0.786 214 A CB 0.323 19.299 19.000 -0.039 0.000 1.029 214 A HN 0.624 nan 8.150 nan 0.000 0.495 215 S N -0.420 115.301 115.700 0.034 0.000 2.502 215 S HA 0.199 4.669 4.470 -0.000 0.000 0.215 215 S C 0.431 175.101 174.600 0.118 0.000 1.009 215 S CA 0.646 58.896 58.200 0.083 0.000 0.908 215 S CB 0.090 63.343 63.200 0.089 0.000 0.801 215 S HN 0.677 nan 8.310 nan 0.000 0.505 216 T N 2.071 116.648 114.554 0.039 0.000 2.879 216 T HA 0.607 4.956 4.350 -0.000 0.000 0.290 216 T C -1.134 173.479 174.700 -0.144 0.000 0.993 216 T CA -0.486 61.598 62.100 -0.027 0.000 0.975 216 T CB 2.001 70.788 68.868 -0.136 0.000 0.981 216 T HN 0.044 nan 8.240 nan 0.000 0.439 217 V N 3.879 123.688 119.914 -0.175 0.000 2.370 217 V HA 0.490 4.610 4.120 -0.000 0.000 0.283 217 V C -0.232 175.607 176.094 -0.427 0.000 1.023 217 V CA -0.658 61.453 62.300 -0.314 0.000 0.857 217 V CB 1.600 33.248 31.823 -0.292 0.000 0.985 217 V HN 0.717 nan 8.190 nan 0.000 0.443 218 V N 5.780 125.406 119.914 -0.480 0.000 2.378 218 V HA 0.466 4.586 4.120 -0.000 0.000 0.288 218 V C -0.710 175.092 176.094 -0.486 0.000 1.016 218 V CA -0.434 61.660 62.300 -0.343 0.000 0.840 218 V CB 1.388 33.079 31.823 -0.221 0.000 0.994 218 V HN 0.676 nan 8.190 nan 0.000 0.431 219 F N 4.238 124.019 119.950 -0.282 0.000 2.303 219 F HA 0.455 4.982 4.527 -0.000 0.000 0.368 219 F C 0.935 176.639 175.800 -0.160 0.000 1.105 219 F CA -0.505 57.232 58.000 -0.439 0.000 1.153 219 F CB 0.554 39.151 39.000 -0.671 0.000 1.362 219 F HN 0.456 nan 8.300 nan 0.000 0.511 220 N N 3.598 122.391 118.700 0.155 0.000 2.347 220 N HA 0.238 4.977 4.740 -0.000 0.000 0.253 220 N C -2.488 173.199 175.510 0.296 0.000 1.274 220 N CA -1.447 51.722 53.050 0.199 0.000 0.941 220 N CB 0.273 38.854 38.487 0.158 0.000 1.200 220 N HN 0.122 nan 8.380 nan 0.000 0.514 221 P HA 0.082 nan 4.420 nan 0.000 0.261 221 P C 0.078 177.519 177.300 0.234 0.000 1.173 221 P CA 0.851 64.061 63.100 0.183 0.000 0.760 221 P CB 0.130 31.890 31.700 0.099 0.000 0.783 222 G N 0.625 109.581 108.800 0.260 0.000 2.368 222 G HA2 0.228 4.188 3.960 -0.000 0.000 0.302 222 G HA3 0.228 4.188 3.960 -0.000 0.000 0.302 222 G C -1.836 173.077 174.900 0.022 0.000 1.329 222 G CA -0.766 44.372 45.100 0.064 0.000 0.935 222 G HN 0.355 nan 8.290 nan 0.000 0.590 223 V N 0.800 120.574 119.914 -0.234 0.000 2.417 223 V HA 0.723 4.843 4.120 -0.000 0.000 0.291 223 V C -0.898 175.007 176.094 -0.314 0.000 1.024 223 V CA -0.565 61.680 62.300 -0.091 0.000 0.861 223 V CB 0.834 32.642 31.823 -0.025 0.000 0.985 223 V HN 0.646 nan 8.190 nan 0.000 0.436 224 Y N 4.488 124.871 120.300 0.138 0.000 2.536 224 Y HA 0.819 5.368 4.550 -0.000 0.000 0.347 224 Y C -0.376 175.579 175.900 0.092 0.000 1.000 224 Y CA -1.239 56.872 58.100 0.018 0.000 1.051 224 Y CB 2.003 40.453 38.460 -0.017 0.000 1.259 224 Y HN 0.714 nan 8.280 nan 0.000 0.468 225 Y N -1.449 118.891 120.300 0.066 0.000 2.558 225 Y HA 0.663 5.213 4.550 -0.000 0.000 0.333 225 Y C -1.517 174.290 175.900 -0.155 0.000 1.125 225 Y CA -2.075 56.050 58.100 0.042 0.000 1.039 225 Y CB 0.533 39.007 38.460 0.023 0.000 1.331 225 Y HN 0.441 nan 8.280 nan 0.000 0.456 226 F N 1.153 121.172 119.950 0.115 0.000 2.422 226 F HA 0.631 5.158 4.527 -0.001 0.000 0.235 226 F C 0.924 176.746 175.800 0.038 0.000 1.125 226 F CA 1.154 59.157 58.000 0.006 0.000 0.977 226 F CB 0.182 39.182 39.000 -0.000 0.000 1.085 226 F HN 0.837 nan 8.300 nan 0.000 0.635 227 T N -3.929 110.653 114.554 0.047 0.000 2.648 227 T HA 0.297 4.647 4.350 -0.000 0.000 0.300 227 T C 0.343 174.843 174.700 -0.334 0.000 1.751 227 T CA -0.296 61.696 62.100 -0.180 0.000 0.959 227 T CB 0.559 69.094 68.868 -0.556 0.000 1.888 227 T HN 0.385 nan 8.240 nan 0.000 0.480 228 G N -0.033 108.619 108.800 -0.246 0.000 2.920 228 G HA2 0.154 4.113 3.960 -0.000 0.000 0.208 228 G HA3 0.154 4.113 3.960 -0.000 0.000 0.208 228 G C 0.891 175.786 174.900 -0.009 0.000 1.159 228 G CA 0.521 45.511 45.100 -0.184 0.000 0.784 228 G HN 1.135 nan 8.290 nan 0.000 0.535 229 H N -1.374 117.566 119.070 -0.216 0.000 2.549 229 H HA 0.428 4.984 4.556 -0.000 0.000 0.253 229 H C -1.261 173.614 175.328 -0.755 0.000 1.170 229 H CA -0.348 55.437 56.048 -0.439 0.000 0.943 229 H CB 0.630 30.375 29.762 -0.029 0.000 1.849 229 H HN 0.171 nan 8.280 nan 0.000 0.603 230 D N 1.017 120.837 120.400 -0.968 0.000 2.728 230 D HA 0.176 4.816 4.640 -0.000 0.000 0.249 230 D C -1.146 175.160 176.300 0.010 0.000 1.225 230 D CA -0.345 53.441 54.000 -0.357 0.000 0.748 230 D CB 1.619 42.370 40.800 -0.080 0.000 1.326 230 D HN 0.446 nan 8.370 nan 0.000 0.426 231 H N 0.375 119.448 119.070 0.005 0.000 2.966 231 H HA 0.365 4.921 4.556 -0.000 0.000 0.330 231 H C -0.925 174.109 175.328 -0.489 0.000 1.292 231 H CA -1.088 54.826 56.048 -0.223 0.000 1.127 231 H CB 0.760 30.448 29.762 -0.122 0.000 1.863 231 H HN 0.415 nan 8.280 nan 0.000 0.543 232 M N 2.867 121.899 119.600 -0.947 0.000 3.254 232 M HA 0.182 4.662 4.480 -0.000 0.000 0.257 232 M C -1.104 174.951 176.300 -0.409 0.000 1.490 232 M CA -0.413 54.445 55.300 -0.737 0.000 1.620 232 M CB -0.732 31.477 32.600 -0.653 0.000 1.157 232 M HN 0.289 nan 8.290 nan 0.000 0.541 233 V N 5.647 125.305 119.914 -0.428 0.000 2.455 233 V HA 0.179 4.299 4.120 -0.000 0.000 0.273 233 V C 0.195 176.205 176.094 -0.139 0.000 1.045 233 V CA -0.235 61.878 62.300 -0.311 0.000 0.976 233 V CB 0.815 32.459 31.823 -0.298 0.000 0.993 233 V HN 0.639 nan 8.190 nan 0.000 0.475 234 L N 5.326 126.479 121.223 -0.117 0.000 2.275 234 L HA 0.429 4.769 4.340 -0.000 0.000 0.288 234 L C 0.889 177.769 176.870 0.016 0.000 1.046 234 L CA -0.209 54.609 54.840 -0.037 0.000 0.805 234 L CB 1.729 43.759 42.059 -0.049 0.000 1.193 234 L HN 0.803 nan 8.230 nan 0.000 0.426 235 S N 0.915 116.630 115.700 0.025 0.000 2.560 235 S HA -0.054 4.416 4.470 -0.000 0.000 0.276 235 S C 1.360 175.997 174.600 0.061 0.000 1.350 235 S CA -0.072 58.147 58.200 0.032 0.000 1.024 235 S CB 0.947 64.162 63.200 0.024 0.000 0.864 235 S HN 0.783 nan 8.310 nan 0.000 0.536 236 S N 1.068 116.798 115.700 0.049 0.000 2.440 236 S HA -0.158 4.312 4.470 -0.000 0.000 0.238 236 S C 1.802 176.444 174.600 0.069 0.000 1.010 236 S CA 1.081 59.315 58.200 0.058 0.000 0.972 236 S CB -1.212 62.010 63.200 0.036 0.000 0.774 236 S HN 1.147 nan 8.310 nan 0.000 0.501 237 S N 0.574 116.312 115.700 0.063 0.000 2.470 237 S HA 0.177 4.647 4.470 -0.000 0.000 0.225 237 S C 0.579 175.236 174.600 0.096 0.000 1.006 237 S CA -0.089 58.150 58.200 0.065 0.000 0.934 237 S CB -0.623 62.604 63.200 0.044 0.000 0.778 237 S HN 0.311 nan 8.310 nan 0.000 0.517 238 V N 3.806 123.795 119.914 0.124 0.000 2.439 238 V HA 0.250 4.370 4.120 -0.000 0.000 0.271 238 V C 1.329 177.589 176.094 0.276 0.000 1.040 238 V CA 0.650 63.061 62.300 0.184 0.000 1.002 238 V CB 0.424 32.355 31.823 0.180 0.000 1.000 238 V HN 0.703 nan 8.190 nan 0.000 0.477 239 T N 0.037 114.753 114.554 0.269 0.000 3.040 239 T HA 0.165 4.515 4.350 -0.000 0.000 0.266 239 T C -0.346 174.573 174.700 0.365 0.000 1.005 239 T CA -0.244 61.999 62.100 0.239 0.000 0.906 239 T CB 0.180 69.127 68.868 0.131 0.000 1.082 239 T HN 0.539 nan 8.240 nan 0.000 0.531 240 W N 1.198 122.635 121.300 0.230 0.000 3.326 240 W HA 0.663 5.323 4.660 -0.001 0.000 0.333 240 W C -2.464 174.200 176.519 0.242 0.000 1.108 240 W CA -1.964 55.522 57.345 0.235 0.000 1.245 240 W CB 1.420 30.954 29.460 0.123 0.000 1.331 240 W HN -0.044 nan 8.180 nan 0.000 0.464 241 V N 8.555 128.885 119.914 0.694 0.000 2.448 241 V HA 0.549 4.669 4.120 -0.000 0.000 0.295 241 V C -1.958 174.312 176.094 0.293 0.000 1.025 241 V CA -0.622 61.856 62.300 0.297 0.000 0.859 241 V CB 1.644 33.631 31.823 0.273 0.000 0.988 241 V HN 0.349 nan 8.190 nan 0.000 0.431 242 Y N 7.007 127.185 120.300 -0.203 0.000 2.341 242 Y HA 0.696 5.246 4.550 0.000 0.000 0.338 242 Y C -1.291 174.499 175.900 -0.183 0.000 0.965 242 Y CA -1.468 56.563 58.100 -0.114 0.000 1.108 242 Y CB 1.758 40.024 38.460 -0.322 0.000 1.180 242 Y HN 0.598 nan 8.280 nan 0.000 0.458 243 F N 5.706 125.417 119.950 -0.398 0.000 2.311 243 F HA 0.653 5.180 4.527 -0.000 0.000 0.371 243 F C 0.608 175.942 175.800 -0.776 0.000 1.083 243 F CA -0.742 57.030 58.000 -0.379 0.000 1.113 243 F CB 0.541 39.457 39.000 -0.140 0.000 1.349 243 F HN 0.714 nan 8.300 nan 0.000 0.470 244 A N 4.524 126.918 122.820 -0.711 0.000 2.466 244 A HA 0.436 4.755 4.320 -0.000 0.000 0.238 244 A C -2.448 174.957 177.584 -0.297 0.000 1.074 244 A CA -1.266 50.469 52.037 -0.503 0.000 0.774 244 A CB -0.213 18.743 19.000 -0.074 0.000 1.015 244 A HN 0.412 nan 8.150 nan 0.000 0.498 245 P HA 0.318 nan 4.420 nan 0.000 0.267 245 P C 0.895 177.606 177.300 -0.981 0.000 1.205 245 P CA 1.759 64.274 63.100 -0.975 0.000 0.765 245 P CB 0.839 31.868 31.700 -1.119 0.000 0.828 246 G N 1.932 110.029 108.800 -1.172 0.000 2.176 246 G HA2 -0.115 3.844 3.960 -0.000 0.000 0.232 246 G HA3 -0.115 3.844 3.960 -0.000 0.000 0.232 246 G C 0.263 175.224 174.900 0.101 0.000 0.986 246 G CA -0.031 44.795 45.100 -0.458 0.000 0.643 246 G HN 0.826 nan 8.290 nan 0.000 0.522 247 A N -0.275 122.617 122.820 0.120 0.000 2.301 247 A HA 0.752 5.072 4.320 -0.000 0.000 0.312 247 A C -0.865 176.947 177.584 0.380 0.000 1.182 247 A CA -0.457 51.776 52.037 0.326 0.000 0.826 247 A CB 1.008 20.145 19.000 0.228 0.000 1.134 247 A HN 1.267 nan 8.150 nan 0.000 0.501 248 Y N 2.540 123.006 120.300 0.278 0.000 2.332 248 Y HA 0.507 5.056 4.550 -0.000 0.000 0.326 248 Y C -1.029 174.972 175.900 0.169 0.000 0.978 248 Y CA -0.524 57.650 58.100 0.123 0.000 1.205 248 Y CB 1.705 40.111 38.460 -0.089 0.000 1.131 248 Y HN 0.437 nan 8.280 nan 0.000 0.462 249 V N 6.701 126.545 119.914 -0.116 0.000 2.357 249 V HA 0.362 4.482 4.120 -0.000 0.000 0.284 249 V C -0.664 175.382 176.094 -0.079 0.000 1.018 249 V CA -1.108 61.173 62.300 -0.031 0.000 0.841 249 V CB 1.408 33.124 31.823 -0.178 0.000 0.991 249 V HN 0.607 nan 8.190 nan 0.000 0.437 250 K N 4.046 124.526 120.400 0.133 0.000 2.267 250 K HA 0.699 5.018 4.320 -0.000 0.000 0.282 250 K C 0.461 177.192 176.600 0.218 0.000 1.078 250 K CA 0.036 56.399 56.287 0.128 0.000 0.903 250 K CB 1.344 33.961 32.500 0.196 0.000 1.111 250 K HN 0.984 nan 8.250 nan 0.000 0.475 251 G N 0.980 109.846 108.800 0.110 0.000 2.336 251 G HA2 0.535 4.495 3.960 -0.000 0.000 0.286 251 G HA3 0.535 4.495 3.960 -0.000 0.000 0.286 251 G C -1.930 173.005 174.900 0.058 0.000 1.269 251 G CA -0.431 44.738 45.100 0.116 0.000 0.873 251 G HN 0.588 nan 8.290 nan 0.000 0.494 252 A N -1.161 121.582 122.820 -0.128 0.000 2.520 252 A HA 0.790 5.110 4.320 -0.000 0.000 0.298 252 A C -1.030 176.402 177.584 -0.254 0.000 1.051 252 A CA -0.462 51.428 52.037 -0.245 0.000 0.690 252 A CB 1.913 20.726 19.000 -0.311 0.000 1.281 252 A HN 1.609 nan 8.150 nan 0.000 0.402 253 V N 1.565 121.298 119.914 -0.302 0.000 2.439 253 V HA 0.572 4.692 4.120 -0.000 0.000 0.282 253 V C 0.113 176.103 176.094 -0.173 0.000 1.039 253 V CA -0.227 61.946 62.300 -0.212 0.000 0.913 253 V CB 1.369 33.144 31.823 -0.080 0.000 0.983 253 V HN 0.925 nan 8.190 nan 0.000 0.460 254 E N 3.938 124.003 120.200 -0.225 0.000 2.265 254 E HA 0.449 4.799 4.350 -0.000 0.000 0.262 254 E C -1.631 174.816 176.600 -0.254 0.000 0.889 254 E CA -0.566 55.719 56.400 -0.191 0.000 0.789 254 E CB 1.128 30.826 29.700 -0.004 0.000 1.221 254 E HN 0.497 nan 8.360 nan 0.000 0.414 255 F N 4.060 123.909 119.950 -0.168 0.000 2.396 255 F HA 0.254 4.781 4.527 -0.000 0.000 0.343 255 F C 1.162 176.876 175.800 -0.143 0.000 1.104 255 F CA -0.398 57.536 58.000 -0.110 0.000 1.161 255 F CB 0.972 39.919 39.000 -0.090 0.000 1.146 255 F HN 0.521 nan 8.300 nan 0.000 0.522 256 L N 0.919 122.213 121.223 0.119 0.000 2.556 256 L HA 0.104 4.444 4.340 -0.000 0.000 0.226 256 L C 1.115 178.020 176.870 0.057 0.000 1.089 256 L CA 0.122 54.987 54.840 0.041 0.000 0.864 256 L CB 0.045 42.118 42.059 0.022 0.000 1.067 256 L HN 0.563 nan 8.230 nan 0.000 0.477 257 S N 0.385 116.154 115.700 0.114 0.000 2.549 257 S HA 0.013 4.483 4.470 -0.000 0.000 0.286 257 S C 1.130 175.757 174.600 0.044 0.000 1.314 257 S CA 0.145 58.394 58.200 0.082 0.000 1.062 257 S CB 0.590 63.856 63.200 0.110 0.000 0.865 257 S HN 0.395 nan 8.310 nan 0.000 0.498 258 T N 2.058 116.631 114.554 0.031 0.000 3.174 258 T HA 0.578 4.928 4.350 -0.000 0.000 0.269 258 T C 0.490 175.201 174.700 0.018 0.000 1.017 258 T CA -0.006 62.108 62.100 0.025 0.000 0.899 258 T CB 0.005 68.883 68.868 0.016 0.000 1.077 258 T HN 0.731 nan 8.240 nan 0.000 0.552 259 A N 1.837 124.666 122.820 0.015 0.000 2.409 259 A HA 0.522 4.841 4.320 -0.000 0.000 0.246 259 A C 1.939 179.519 177.584 -0.008 0.000 1.099 259 A CA 0.139 52.179 52.037 0.005 0.000 0.789 259 A CB 0.062 19.068 19.000 0.010 0.000 1.053 259 A HN 0.627 nan 8.150 nan 0.000 0.503 260 S N -0.761 114.929 115.700 -0.017 0.000 2.419 260 S HA -0.098 4.371 4.470 -0.000 0.000 0.235 260 S C 0.543 175.115 174.600 -0.045 0.000 1.019 260 S CA 1.520 59.702 58.200 -0.030 0.000 0.982 260 S CB -0.236 62.944 63.200 -0.033 0.000 0.789 260 S HN 0.842 nan 8.310 nan 0.000 0.490 261 E N 0.089 120.259 120.200 -0.051 0.000 2.321 261 E HA 0.490 4.839 4.350 -0.000 0.000 0.278 261 E C -1.581 174.962 176.600 -0.094 0.000 0.902 261 E CA -0.958 55.396 56.400 -0.077 0.000 0.758 261 E CB 2.384 32.022 29.700 -0.104 0.000 1.213 261 E HN 0.229 nan 8.360 nan 0.000 0.426 262 V N 1.067 120.900 119.914 -0.135 0.000 2.656 262 V HA 0.744 4.863 4.120 -0.000 0.000 0.307 262 V C -0.837 175.163 176.094 -0.155 0.000 1.051 262 V CA -0.849 61.268 62.300 -0.304 0.000 0.893 262 V CB 1.596 32.917 31.823 -0.837 0.000 0.999 262 V HN 0.711 nan 8.190 nan 0.000 0.426 263 K N 3.056 123.449 120.400 -0.013 0.000 2.427 263 K HA 0.883 5.203 4.320 -0.000 0.000 0.252 263 K C -1.016 175.885 176.600 0.502 0.000 0.931 263 K CA -0.384 55.954 56.287 0.085 0.000 0.793 263 K CB 2.306 34.638 32.500 -0.280 0.000 1.211 263 K HN 1.279 nan 8.250 nan 0.000 0.426 264 A N 2.433 125.504 122.820 0.418 0.000 2.332 264 A HA 0.637 4.957 4.320 -0.000 0.000 0.300 264 A C -0.971 176.825 177.584 0.353 0.000 1.153 264 A CA -0.473 51.910 52.037 0.577 0.000 0.764 264 A CB 0.972 20.264 19.000 0.487 0.000 1.174 264 A HN 0.815 nan 8.150 nan 0.000 0.467 265 S N 1.184 117.231 115.700 0.579 0.000 2.705 265 S HA 0.980 5.449 4.470 -0.000 0.000 0.280 265 S C -0.022 174.882 174.600 0.506 0.000 1.174 265 S CA -0.224 58.248 58.200 0.453 0.000 0.823 265 S CB 1.074 64.559 63.200 0.476 0.000 1.162 265 S HN 2.679 nan 8.310 nan 0.000 0.487 266 G N 0.153 109.157 108.800 0.341 0.000 2.629 266 G HA2 0.110 4.069 3.960 -0.000 0.000 0.686 266 G HA3 0.110 4.069 3.960 -0.000 0.000 0.686 266 G C -0.768 174.139 174.900 0.011 0.000 1.232 266 G CA -0.439 44.777 45.100 0.193 0.000 0.803 266 G HN 1.046 nan 8.290 nan 0.000 0.638 267 H N 0.341 119.451 119.070 0.067 0.000 2.519 267 H HA 0.423 4.978 4.556 -0.001 0.000 0.289 267 H C 1.767 177.135 175.328 0.068 0.000 1.040 267 H CA 0.850 56.960 56.048 0.104 0.000 1.165 267 H CB 0.262 30.131 29.762 0.179 0.000 1.462 267 H HN 0.810 nan 8.280 nan 0.000 0.555 268 G N -0.072 108.769 108.800 0.067 0.000 2.553 268 G HA2 0.346 4.306 3.960 -0.000 0.000 0.278 268 G HA3 0.346 4.306 3.960 -0.000 0.000 0.278 268 G C -0.562 174.349 174.900 0.018 0.000 1.349 268 G CA -0.386 44.755 45.100 0.069 0.000 1.037 268 G HN 0.146 nan 8.290 nan 0.000 0.508 269 V N -0.048 119.824 119.914 -0.070 0.000 2.555 269 V HA 0.464 4.584 4.120 -0.000 0.000 0.302 269 V C -0.638 175.151 176.094 -0.510 0.000 1.038 269 V CA -0.645 61.486 62.300 -0.281 0.000 0.887 269 V CB 1.559 33.171 31.823 -0.351 0.000 0.991 269 V HN 0.568 nan 8.190 nan 0.000 0.434 270 L N 4.230 125.123 121.223 -0.549 0.000 2.316 270 L HA 0.706 5.046 4.340 -0.000 0.000 0.280 270 L C -0.131 176.507 176.870 -0.387 0.000 1.006 270 L CA 0.412 54.919 54.840 -0.555 0.000 0.836 270 L CB 1.581 43.191 42.059 -0.747 0.000 1.221 270 L HN 0.690 nan 8.230 nan 0.000 0.418 271 S N 2.679 118.182 115.700 -0.327 0.000 2.473 271 S HA 0.695 5.165 4.470 -0.000 0.000 0.307 271 S C 0.722 175.318 174.600 -0.006 0.000 1.094 271 S CA -0.103 58.005 58.200 -0.153 0.000 1.070 271 S CB 1.392 64.512 63.200 -0.134 0.000 1.019 271 S HN 0.846 nan 8.310 nan 0.000 0.480 272 G N 2.843 111.697 108.800 0.089 0.000 3.448 272 G HA2 0.121 4.080 3.960 -0.000 0.000 0.261 272 G HA3 0.121 4.080 3.960 -0.000 0.000 0.261 272 G C 0.944 175.988 174.900 0.240 0.000 1.173 272 G CA 0.050 45.313 45.100 0.273 0.000 0.835 272 G HN 0.907 nan 8.290 nan 0.000 0.534 273 E N 0.125 120.415 120.200 0.150 0.000 2.267 273 E HA -0.247 4.103 4.350 -0.000 0.000 0.197 273 E C 1.675 178.326 176.600 0.086 0.000 0.998 273 E CA 0.895 57.390 56.400 0.158 0.000 0.830 273 E CB -0.197 29.603 29.700 0.167 0.000 0.751 273 E HN 0.547 nan 8.360 nan 0.000 0.491 274 Q N -0.261 119.481 119.800 -0.097 0.000 2.432 274 Q HA 0.017 4.357 4.340 -0.000 0.000 0.205 274 Q C -0.284 175.596 176.000 -0.201 0.000 0.945 274 Q CA 0.318 55.999 55.803 -0.203 0.000 0.924 274 Q CB 0.122 28.651 28.738 -0.349 0.000 1.016 274 Q HN 0.349 nan 8.270 nan 0.000 0.503 275 Y N 0.662 121.053 120.300 0.151 0.000 2.308 275 Y HA 0.192 4.742 4.550 -0.001 0.000 0.329 275 Y C 0.598 176.618 175.900 0.199 0.000 1.111 275 Y CA -1.536 56.657 58.100 0.156 0.000 1.179 275 Y CB 0.565 39.102 38.460 0.129 0.000 1.201 275 Y HN -0.195 nan 8.280 nan 0.000 0.483 276 V N -0.314 119.794 119.914 0.322 0.000 3.185 276 V HA 0.127 4.247 4.120 -0.000 0.000 0.305 276 V C -0.101 176.081 176.094 0.148 0.000 1.090 276 V CA -1.496 60.955 62.300 0.252 0.000 1.107 276 V CB 0.454 32.397 31.823 0.201 0.000 1.061 276 V HN 0.864 nan 8.190 nan 0.000 0.480 277 W N 3.401 124.538 121.300 -0.272 0.000 2.257 277 W HA 0.224 4.883 4.660 -0.000 0.000 0.337 277 W C 0.315 176.690 176.519 -0.240 0.000 1.321 277 W CA 0.390 57.411 57.345 -0.541 0.000 1.267 277 W CB -0.489 28.410 29.460 -0.936 0.000 1.187 277 W HN 0.805 nan 8.180 nan 0.000 0.565 278 Y N 2.185 121.878 120.300 -1.012 0.000 4.177 278 Y HA -0.284 4.266 4.550 -0.000 0.000 0.227 278 Y C 0.886 176.374 175.900 -0.688 0.000 1.154 278 Y CA 0.316 57.715 58.100 -1.168 0.000 1.887 278 Y CB -1.780 35.724 38.460 -1.593 0.000 1.594 278 Y HN 0.659 nan 8.280 nan 0.000 0.668 279 A N 1.240 123.923 122.820 -0.228 0.000 2.566 279 A HA 0.249 4.569 4.320 -0.000 0.000 0.245 279 A C 0.419 177.854 177.584 -0.247 0.000 1.056 279 A CA 0.720 52.685 52.037 -0.119 0.000 0.757 279 A CB 0.032 19.073 19.000 0.068 0.000 0.979 279 A HN 0.380 nan 8.150 nan 0.000 0.508 280 D N 3.568 123.812 120.400 -0.261 0.000 2.392 280 D HA 0.381 5.021 4.640 -0.000 0.000 0.228 280 D C -1.924 174.056 176.300 -0.533 0.000 1.074 280 D CA -2.027 51.762 54.000 -0.351 0.000 0.838 280 D CB 1.564 42.192 40.800 -0.286 0.000 1.067 280 D HN 0.127 nan 8.370 nan 0.000 0.511 281 P HA -0.083 nan 4.420 nan 0.000 0.218 281 P C 0.351 177.285 177.300 -0.610 0.000 1.146 281 P CA 0.931 63.375 63.100 -1.093 0.000 0.813 281 P CB 0.393 31.691 31.700 -0.670 0.000 0.778 282 D N -1.052 119.132 120.400 -0.360 0.000 2.339 282 D HA 0.002 4.642 4.640 -0.000 0.000 0.217 282 D C 0.538 176.741 176.300 -0.161 0.000 1.050 282 D CA 0.574 54.452 54.000 -0.204 0.000 0.856 282 D CB 0.075 40.783 40.800 -0.153 0.000 0.922 282 D HN 0.355 nan 8.370 nan 0.000 0.518 283 E N -0.099 119.984 120.200 -0.195 0.000 3.167 283 E HA 0.326 4.676 4.350 -0.000 0.000 0.210 283 E C 0.515 177.075 176.600 -0.066 0.000 1.004 283 E CA -0.428 55.901 56.400 -0.119 0.000 1.256 283 E CB 0.920 30.540 29.700 -0.133 0.000 1.193 283 E HN 0.081 nan 8.360 nan 0.000 0.448 284 G N 0.968 109.750 108.800 -0.030 0.000 2.179 284 G HA2 -0.386 3.573 3.960 -0.000 0.000 0.257 284 G HA3 -0.386 3.573 3.960 -0.000 0.000 0.257 284 G C 0.283 175.361 174.900 0.296 0.000 1.010 284 G CA 0.634 45.819 45.100 0.143 0.000 0.736 284 G HN 0.538 nan 8.290 nan 0.000 0.513 285 Y N -2.218 118.106 120.300 0.040 0.000 4.490 285 Y HA -0.256 4.294 4.550 -0.001 0.000 0.233 285 Y C 1.348 177.273 175.900 0.042 0.000 1.101 285 Y CA 1.486 59.617 58.100 0.052 0.000 2.010 285 Y CB -1.869 36.695 38.460 0.174 0.000 1.622 285 Y HN 0.698 nan 8.280 nan 0.000 0.675 286 Q N 0.654 120.501 119.800 0.078 0.000 2.256 286 Q HA 0.263 4.603 4.340 -0.000 0.000 0.232 286 Q C 0.449 176.417 176.000 -0.054 0.000 0.965 286 Q CA -1.055 54.773 55.803 0.041 0.000 0.908 286 Q CB 0.890 29.639 28.738 0.018 0.000 1.209 286 Q HN 0.209 nan 8.270 nan 0.000 0.489 287 K N 0.696 121.055 120.400 -0.068 0.000 2.511 287 K HA 0.039 4.359 4.320 -0.000 0.000 0.280 287 K C -0.644 175.781 176.600 -0.292 0.000 1.008 287 K CA -0.124 56.046 56.287 -0.195 0.000 1.050 287 K CB 0.340 32.744 32.500 -0.160 0.000 0.889 287 K HN 0.683 nan 8.250 nan 0.000 0.484 288 A N 4.302 126.835 122.820 -0.477 0.000 2.563 288 A HA -0.031 4.289 4.320 -0.000 0.000 0.256 288 A C 1.256 178.578 177.584 -0.438 0.000 1.056 288 A CA 0.532 52.261 52.037 -0.512 0.000 0.775 288 A CB -0.057 18.458 19.000 -0.808 0.000 0.973 288 A HN 0.950 nan 8.150 nan 0.000 0.516 289 S N 1.815 117.353 115.700 -0.271 0.000 2.421 289 S HA -0.096 4.374 4.470 -0.000 0.000 0.239 289 S C 1.119 175.596 174.600 -0.204 0.000 1.054 289 S CA 1.656 59.742 58.200 -0.191 0.000 1.035 289 S CB -0.168 62.952 63.200 -0.134 0.000 0.840 289 S HN 1.376 nan 8.310 nan 0.000 0.475 290 G N -1.531 107.107 108.800 -0.270 0.000 2.695 290 G HA2 0.589 4.549 3.960 -0.000 0.000 0.290 290 G HA3 0.589 4.549 3.960 -0.000 0.000 0.290 290 G C -0.609 174.067 174.900 -0.373 0.000 1.410 290 G CA -0.312 44.645 45.100 -0.238 0.000 0.844 290 G HN 0.227 nan 8.290 nan 0.000 0.478 291 A N 0.436 123.092 122.820 -0.272 0.000 2.863 291 A HA 0.157 4.477 4.320 -0.000 0.000 0.246 291 A C 1.460 178.999 177.584 -0.075 0.000 1.772 291 A CA 0.468 52.364 52.037 -0.234 0.000 1.456 291 A CB -1.121 17.896 19.000 0.028 0.000 0.930 291 A HN 0.764 nan 8.150 nan 0.000 0.630 292 N N 0.348 118.945 118.700 -0.173 0.000 2.571 292 N HA -0.146 4.594 4.740 -0.000 0.000 0.189 292 N C 0.523 176.028 175.510 -0.010 0.000 1.154 292 N CA 0.748 53.750 53.050 -0.080 0.000 0.907 292 N CB -0.576 37.835 38.487 -0.126 0.000 0.977 292 N HN 0.518 nan 8.380 nan 0.000 0.449 293 N N -1.119 117.643 118.700 0.104 0.000 2.828 293 N HA -0.262 4.478 4.740 -0.000 0.000 0.248 293 N C -0.596 174.910 175.510 -0.006 0.000 1.044 293 N CA 1.014 54.134 53.050 0.118 0.000 0.851 293 N CB -1.932 36.597 38.487 0.070 0.000 1.136 293 N HN 0.527 nan 8.380 nan 0.000 0.572 294 N N -0.222 118.427 118.700 -0.084 0.000 2.327 294 N HA 0.289 5.028 4.740 -0.000 0.000 0.231 294 N C 0.411 175.743 175.510 -0.296 0.000 1.130 294 N CA 0.570 53.522 53.050 -0.163 0.000 0.845 294 N CB -0.061 38.329 38.487 -0.162 0.000 1.073 294 N HN 0.448 nan 8.380 nan 0.000 0.496 295 G N 0.263 108.700 108.800 -0.605 0.000 2.554 295 G HA2 0.175 4.135 3.960 -0.000 0.000 0.238 295 G HA3 0.175 4.135 3.960 -0.000 0.000 0.238 295 G C -0.225 174.451 174.900 -0.374 0.000 1.259 295 G CA -0.430 44.165 45.100 -0.841 0.000 0.843 295 G HN 0.358 nan 8.290 nan 0.000 0.582 296 L N 1.236 122.249 121.223 -0.350 0.000 2.418 296 L HA 0.393 4.733 4.340 -0.000 0.000 0.274 296 L C 0.736 177.479 176.870 -0.211 0.000 1.135 296 L CA -0.301 54.329 54.840 -0.350 0.000 0.870 296 L CB 0.343 42.082 42.059 -0.532 0.000 1.154 296 L HN 0.428 nan 8.230 nan 0.000 0.462 297 R N 4.006 124.401 120.500 -0.174 0.000 2.531 297 R HA 0.308 4.648 4.340 -0.000 0.000 0.273 297 R C 1.024 177.212 176.300 -0.187 0.000 1.070 297 R CA -0.346 55.697 56.100 -0.094 0.000 1.112 297 R CB 0.692 30.983 30.300 -0.015 0.000 1.049 297 R HN 0.623 nan 8.270 nan 0.000 0.508 298 M N 0.154 119.636 119.600 -0.196 0.000 2.288 298 M HA 0.046 4.525 4.480 -0.000 0.000 0.266 298 M C -0.363 175.568 176.300 -0.615 0.000 1.072 298 M CA 0.966 55.994 55.300 -0.454 0.000 1.132 298 M CB -0.032 32.249 32.600 -0.532 0.000 1.386 298 M HN 0.438 nan 8.290 nan 0.000 0.432 299 W N 0.620 121.960 121.300 0.067 0.000 2.619 299 W HA 0.523 5.183 4.660 -0.000 0.000 0.327 299 W C -0.137 176.381 176.519 -0.000 0.000 1.027 299 W CA -0.854 56.547 57.345 0.094 0.000 1.233 299 W CB 1.194 30.820 29.460 0.277 0.000 1.370 299 W HN -0.098 nan 8.180 nan 0.000 0.453 300 R N 2.155 122.630 120.500 -0.041 0.000 2.604 300 R HA 0.848 5.188 4.340 -0.000 0.000 0.281 300 R C -0.606 175.128 176.300 -0.944 0.000 1.020 300 R CA -0.471 55.394 56.100 -0.392 0.000 0.899 300 R CB 1.683 31.854 30.300 -0.215 0.000 1.205 300 R HN 0.607 nan 8.270 nan 0.000 0.450 301 G N 0.405 108.138 108.800 -1.779 0.000 2.725 301 G HA2 0.621 4.581 3.960 -0.000 0.000 0.288 301 G HA3 0.621 4.581 3.960 -0.000 0.000 0.288 301 G C -1.420 172.797 174.900 -1.138 0.000 1.399 301 G CA -0.541 43.461 45.100 -1.831 0.000 0.859 301 G HN 0.497 nan 8.290 nan 0.000 0.479 302 T N -0.112 114.103 114.554 -0.566 0.000 2.900 302 T HA 0.591 4.941 4.350 -0.000 0.000 0.295 302 T C -1.354 173.329 174.700 -0.029 0.000 1.044 302 T CA -0.335 61.636 62.100 -0.215 0.000 0.995 302 T CB 1.893 70.685 68.868 -0.126 0.000 1.072 302 T HN 0.465 nan 8.240 nan 0.000 0.473 303 L N 1.923 123.164 121.223 0.030 0.000 2.365 303 L HA 0.822 5.162 4.340 -0.000 0.000 0.273 303 L C 0.614 177.493 176.870 0.015 0.000 1.000 303 L CA 0.014 54.885 54.840 0.053 0.000 0.819 303 L CB 1.534 43.633 42.059 0.065 0.000 1.284 303 L HN 0.774 nan 8.230 nan 0.000 0.418 304 G N 1.930 110.736 108.800 0.010 0.000 3.348 304 G HA2 0.075 4.035 3.960 -0.000 0.000 0.180 304 G HA3 0.075 4.035 3.960 -0.000 0.000 0.180 304 G C 0.336 175.235 174.900 -0.001 0.000 1.915 304 G CA 0.526 45.627 45.100 0.003 0.000 0.937 304 G HN 0.731 nan 8.290 nan 0.000 0.564 305 N N -0.383 118.316 118.700 -0.003 0.000 2.197 305 N HA 0.101 4.840 4.740 -0.000 0.000 0.228 305 N C -0.017 175.487 175.510 -0.009 0.000 1.212 305 N CA 0.246 53.293 53.050 -0.006 0.000 0.883 305 N CB 0.667 39.152 38.487 -0.003 0.000 1.107 305 N HN 0.353 nan 8.380 nan 0.000 0.519 306 S N -0.639 115.055 115.700 -0.010 0.000 2.568 306 S HA 0.607 5.076 4.470 -0.000 0.000 0.302 306 S C -0.162 174.425 174.600 -0.021 0.000 1.082 306 S CA -0.561 57.631 58.200 -0.014 0.000 1.009 306 S CB 1.756 64.950 63.200 -0.010 0.000 1.069 306 S HN 0.070 nan 8.310 nan 0.000 0.500 307 S N 1.408 117.090 115.700 -0.029 0.000 2.572 307 S HA 0.314 4.784 4.470 -0.000 0.000 0.279 307 S C -0.176 174.399 174.600 -0.042 0.000 1.341 307 S CA -0.454 57.719 58.200 -0.044 0.000 1.043 307 S CB 0.339 63.510 63.200 -0.047 0.000 0.887 307 S HN 0.770 nan 8.310 nan 0.000 0.516 308 Q N 0.809 120.574 119.800 -0.059 0.000 2.345 308 Q HA 0.426 4.766 4.340 -0.000 0.000 0.275 308 Q C -1.700 174.247 176.000 -0.088 0.000 1.063 308 Q CA -0.540 55.234 55.803 -0.048 0.000 0.819 308 Q CB 1.685 30.428 28.738 0.009 0.000 1.356 308 Q HN 0.590 nan 8.270 nan 0.000 0.418 309 T N 3.394 117.901 114.554 -0.078 0.000 2.779 309 T HA 0.407 4.756 4.350 -0.000 0.000 0.280 309 T C -1.332 173.331 174.700 -0.062 0.000 0.987 309 T CA -0.306 61.734 62.100 -0.100 0.000 0.966 309 T CB 0.373 69.175 68.868 -0.110 0.000 0.933 309 T HN 0.411 nan 8.240 nan 0.000 0.442 310 F N 5.125 124.894 119.950 -0.301 0.000 2.361 310 F HA 0.574 5.101 4.527 -0.000 0.000 0.364 310 F C -0.738 174.888 175.800 -0.290 0.000 1.120 310 F CA -1.560 56.250 58.000 -0.318 0.000 1.102 310 F CB 0.376 39.062 39.000 -0.523 0.000 1.183 310 F HN 0.224 nan 8.300 nan 0.000 0.476 311 V N 8.048 127.679 119.914 -0.471 0.000 2.383 311 V HA 0.358 4.478 4.120 -0.000 0.000 0.275 311 V C -0.714 174.871 176.094 -0.848 0.000 1.036 311 V CA -0.670 61.284 62.300 -0.576 0.000 0.889 311 V CB 1.145 32.756 31.823 -0.354 0.000 0.985 311 V HN 0.625 nan 8.190 nan 0.000 0.459 312 L N 5.665 126.310 121.223 -0.964 0.000 2.372 312 L HA 0.636 4.975 4.340 -0.000 0.000 0.274 312 L C -0.732 175.831 176.870 -0.512 0.000 0.988 312 L CA -0.021 54.262 54.840 -0.929 0.000 0.833 312 L CB 1.465 42.677 42.059 -1.411 0.000 1.236 312 L HN 0.734 nan 8.230 nan 0.000 0.410 313 N N 3.096 121.628 118.700 -0.280 0.000 2.397 313 N HA 0.609 5.348 4.740 -0.000 0.000 0.291 313 N C 0.597 176.037 175.510 -0.116 0.000 1.065 313 N CA 0.348 53.306 53.050 -0.154 0.000 0.884 313 N CB 1.689 40.115 38.487 -0.101 0.000 1.551 313 N HN 0.858 nan 8.380 nan 0.000 0.487 314 G N 0.983 109.677 108.800 -0.176 0.000 2.347 314 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.247 314 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.247 314 G C 0.124 174.839 174.900 -0.309 0.000 1.037 314 G CA 0.401 45.203 45.100 -0.497 0.000 0.622 314 G HN 0.597 nan 8.290 nan 0.000 0.521 315 V N 1.830 121.718 119.914 -0.044 0.000 2.901 315 V HA 0.414 4.534 4.120 -0.000 0.000 0.307 315 V C 0.921 177.023 176.094 0.014 0.000 1.084 315 V CA 1.132 63.466 62.300 0.055 0.000 1.184 315 V CB 1.295 33.242 31.823 0.206 0.000 0.941 315 V HN 0.371 nan 8.190 nan 0.000 0.493 316 T N 4.101 118.617 114.554 -0.064 0.000 2.770 316 T HA 0.475 4.825 4.350 -0.000 0.000 0.283 316 T C -0.386 174.195 174.700 -0.199 0.000 0.988 316 T CA -0.264 61.722 62.100 -0.191 0.000 0.957 316 T CB 1.394 70.226 68.868 -0.061 0.000 0.930 316 T HN 0.392 nan 8.240 nan 0.000 0.443 317 V N 3.334 123.108 119.914 -0.232 0.000 2.427 317 V HA 0.674 4.794 4.120 -0.000 0.000 0.286 317 V C 0.104 176.059 176.094 -0.231 0.000 1.034 317 V CA -0.349 61.856 62.300 -0.158 0.000 0.893 317 V CB 1.832 33.690 31.823 0.058 0.000 0.982 317 V HN 0.885 nan 8.190 nan 0.000 0.452 318 S N 3.875 119.457 115.700 -0.196 0.000 2.542 318 S HA 0.714 5.183 4.470 -0.000 0.000 0.293 318 S C 0.164 174.753 174.600 -0.018 0.000 1.089 318 S CA 0.165 58.269 58.200 -0.160 0.000 0.961 318 S CB 1.544 64.685 63.200 -0.099 0.000 1.062 318 S HN 2.235 nan 8.310 nan 0.000 0.483 319 A N 3.143 125.980 122.820 0.027 0.000 2.519 319 A HA -0.065 4.255 4.320 -0.000 0.000 0.297 319 A C -2.435 175.253 177.584 0.174 0.000 1.472 319 A CA 0.462 52.568 52.037 0.116 0.000 0.739 319 A CB -1.925 17.179 19.000 0.172 0.000 1.096 319 A HN 0.566 nan 8.150 nan 0.000 0.414 320 P HA 0.217 nan 4.420 nan 0.000 0.276 320 P C -1.973 175.520 177.300 0.323 0.000 1.230 320 P CA -1.343 61.852 63.100 0.159 0.000 0.776 320 P CB 0.701 32.454 31.700 0.088 0.000 0.888 321 P HA 0.098 nan 4.420 nan 0.000 0.240 321 P C 0.123 177.567 177.300 0.241 0.000 1.190 321 P CA 0.674 63.981 63.100 0.344 0.000 0.781 321 P CB 0.352 32.182 31.700 0.217 0.000 0.931 322 F N -0.867 119.045 119.950 -0.063 0.000 3.698 322 F HA 0.303 4.830 4.527 -0.000 0.000 0.330 322 F C -0.666 175.069 175.800 -0.108 0.000 1.176 322 F CA -1.115 56.750 58.000 -0.225 0.000 0.899 322 F CB 0.457 39.169 39.000 -0.480 0.000 1.645 322 F HN -0.438 nan 8.300 nan 0.000 0.522 323 N N 1.002 119.239 118.700 -0.772 0.000 2.407 323 N HA 0.023 4.763 4.740 -0.000 0.000 0.250 323 N C 0.567 175.998 175.510 -0.131 0.000 1.236 323 N CA 0.568 53.334 53.050 -0.473 0.000 0.879 323 N CB 1.059 39.246 38.487 -0.500 0.000 1.088 323 N HN 0.548 nan 8.380 nan 0.000 0.450 324 S N 2.603 118.283 115.700 -0.033 0.000 2.402 324 S HA -0.074 4.395 4.470 -0.000 0.000 0.229 324 S C 0.715 175.429 174.600 0.190 0.000 1.021 324 S CA 0.772 59.029 58.200 0.095 0.000 0.974 324 S CB 0.202 63.531 63.200 0.216 0.000 0.800 324 S HN 0.654 nan 8.310 nan 0.000 0.484 325 M N 0.869 120.579 119.600 0.185 0.000 2.426 325 M HA 0.458 4.938 4.480 -0.000 0.000 0.289 325 M C -2.662 173.795 176.300 0.262 0.000 1.168 325 M CA -0.152 55.330 55.300 0.304 0.000 0.933 325 M CB 2.126 35.007 32.600 0.468 0.000 1.750 325 M HN 0.089 nan 8.290 nan 0.000 0.494 326 D N 2.480 123.100 120.400 0.368 0.000 2.745 326 D HA 0.322 4.962 4.640 -0.000 0.000 0.221 326 D C -1.829 174.793 176.300 0.537 0.000 1.237 326 D CA -0.116 54.135 54.000 0.418 0.000 0.781 326 D CB 1.980 42.922 40.800 0.237 0.000 1.575 326 D HN 0.624 nan 8.370 nan 0.000 0.482 327 W N 0.687 122.102 121.300 0.193 0.000 2.509 327 W HA 0.404 5.064 4.660 -0.001 0.000 0.351 327 W C 0.427 176.950 176.519 0.006 0.000 1.107 327 W CA -0.647 56.721 57.345 0.039 0.000 1.264 327 W CB 2.161 31.555 29.460 -0.110 0.000 1.312 327 W HN 0.178 nan 8.180 nan 0.000 0.608 328 S N 0.997 116.730 115.700 0.056 0.000 2.509 328 S HA 0.855 5.325 4.470 -0.000 0.000 0.297 328 S C -0.274 174.342 174.600 0.027 0.000 1.118 328 S CA 0.078 58.292 58.200 0.024 0.000 1.074 328 S CB 1.288 64.462 63.200 -0.043 0.000 1.038 328 S HN 0.781 nan 8.310 nan 0.000 0.498 329 G N 3.000 111.816 108.800 0.026 0.000 2.350 329 G HA2 0.078 4.038 3.960 -0.000 0.000 0.305 329 G HA3 0.078 4.038 3.960 -0.000 0.000 0.305 329 G C -0.349 174.562 174.900 0.017 0.000 1.479 329 G CA -0.796 44.313 45.100 0.015 0.000 0.949 329 G HN 0.627 nan 8.290 nan 0.000 0.651 330 N N -0.918 117.789 118.700 0.011 0.000 2.415 330 N HA 0.101 4.841 4.740 -0.000 0.000 0.176 330 N C 0.923 176.444 175.510 0.019 0.000 1.042 330 N CA 0.818 53.878 53.050 0.017 0.000 0.902 330 N CB 0.232 38.727 38.487 0.013 0.000 0.986 330 N HN 0.601 nan 8.380 nan 0.000 0.447 331 S N 0.334 116.035 115.700 0.001 0.000 2.252 331 S HA 0.309 4.779 4.470 -0.000 0.000 0.187 331 S C 0.268 174.834 174.600 -0.058 0.000 1.587 331 S CA -0.561 57.635 58.200 -0.007 0.000 1.215 331 S CB 0.546 63.742 63.200 -0.008 0.000 1.085 331 S HN -0.016 nan 8.310 nan 0.000 0.466 332 L N 1.417 122.597 121.223 -0.071 0.000 2.551 332 L HA 0.119 4.459 4.340 -0.000 0.000 0.228 332 L C 1.735 178.425 176.870 -0.300 0.000 1.153 332 L CA 1.077 55.757 54.840 -0.267 0.000 0.851 332 L CB -0.549 41.364 42.059 -0.243 0.000 0.959 332 L HN 0.536 nan 8.230 nan 0.000 0.451 333 D N -0.357 119.984 120.400 -0.099 0.000 2.348 333 D HA -0.050 4.590 4.640 -0.000 0.000 0.216 333 D C 1.910 178.153 176.300 -0.095 0.000 0.970 333 D CA 0.831 54.800 54.000 -0.052 0.000 0.889 333 D CB 0.290 41.111 40.800 0.036 0.000 0.912 333 D HN 0.367 nan 8.370 nan 0.000 0.524 334 L N 0.511 121.660 121.223 -0.124 0.000 2.592 334 L HA 0.207 4.547 4.340 -0.000 0.000 0.227 334 L C 0.776 177.551 176.870 -0.158 0.000 1.127 334 L CA 0.115 54.890 54.840 -0.108 0.000 0.884 334 L CB 0.236 42.250 42.059 -0.074 0.000 1.065 334 L HN -0.165 nan 8.230 nan 0.000 0.457 335 I N -0.843 119.563 120.570 -0.273 0.000 2.437 335 I HA 0.298 4.468 4.170 -0.000 0.000 0.298 335 I C 0.179 176.155 176.117 -0.236 0.000 0.984 335 I CA -0.071 61.018 61.300 -0.351 0.000 1.214 335 I CB 2.017 39.578 38.000 -0.731 0.000 1.365 335 I HN -0.198 nan 8.210 nan 0.000 0.469 336 T N 4.519 118.967 114.554 -0.176 0.000 2.916 336 T HA 0.545 4.895 4.350 -0.000 0.000 0.305 336 T C -1.314 173.311 174.700 -0.124 0.000 1.119 336 T CA -0.331 61.707 62.100 -0.103 0.000 1.008 336 T CB 0.945 69.760 68.868 -0.089 0.000 1.129 336 T HN 0.660 nan 8.240 nan 0.000 0.480 337 C N 3.830 123.059 119.300 -0.118 0.000 2.456 337 C HA 0.797 5.257 4.460 -0.000 0.000 0.325 337 C C -0.328 174.535 174.990 -0.212 0.000 1.217 337 C CA -1.057 57.850 59.018 -0.185 0.000 1.687 337 C CB 0.978 28.605 27.740 -0.188 0.000 2.270 337 C HN 0.742 nan 8.230 nan 0.000 0.499 338 R N 2.163 122.483 120.500 -0.299 0.000 2.407 338 R HA 0.525 4.864 4.340 -0.000 0.000 0.298 338 R C -1.451 174.635 176.300 -0.357 0.000 1.166 338 R CA -0.228 55.712 56.100 -0.265 0.000 1.006 338 R CB 1.255 31.417 30.300 -0.230 0.000 1.145 338 R HN 0.592 nan 8.270 nan 0.000 0.538 339 V N 2.944 122.669 119.914 -0.314 0.000 2.459 339 V HA 0.505 4.625 4.120 -0.000 0.000 0.295 339 V C -0.023 175.935 176.094 -0.226 0.000 1.029 339 V CA -0.604 61.486 62.300 -0.350 0.000 0.874 339 V CB 2.215 33.817 31.823 -0.368 0.000 0.985 339 V HN 0.534 nan 8.190 nan 0.000 0.438 340 D N 2.774 123.055 120.400 -0.199 0.000 2.859 340 D HA 0.225 4.864 4.640 -0.000 0.000 0.223 340 D C -0.713 175.542 176.300 -0.074 0.000 1.218 340 D CA -0.338 53.592 54.000 -0.118 0.000 0.850 340 D CB 2.197 42.941 40.800 -0.094 0.000 1.656 340 D HN 0.695 nan 8.370 nan 0.000 0.484 341 D N 1.288 121.657 120.400 -0.052 0.000 2.686 341 D HA -0.275 4.365 4.640 -0.000 0.000 0.235 341 D C -1.352 174.915 176.300 -0.055 0.000 1.160 341 D CA 1.014 54.995 54.000 -0.031 0.000 0.645 341 D CB -1.399 39.432 40.800 0.052 0.000 1.039 341 D HN 0.339 nan 8.370 nan 0.000 0.423 342 Y N 0.213 120.367 120.300 -0.242 0.000 2.468 342 Y HA 0.626 5.176 4.550 -0.000 0.000 0.342 342 Y C -0.660 175.044 175.900 -0.326 0.000 1.021 342 Y CA -0.772 57.169 58.100 -0.265 0.000 1.079 342 Y CB 1.257 39.560 38.460 -0.261 0.000 1.226 342 Y HN -0.111 nan 8.280 nan 0.000 0.460 343 K N 3.644 123.377 120.400 -1.113 0.000 2.469 343 K HA 0.398 4.718 4.320 -0.000 0.000 0.254 343 K C -1.704 174.365 176.600 -0.885 0.000 0.939 343 K CA -0.895 54.834 56.287 -0.930 0.000 0.812 343 K CB 2.099 33.989 32.500 -1.016 0.000 1.301 343 K HN 0.615 nan 8.250 nan 0.000 0.433 344 Q N 1.971 121.532 119.800 -0.399 0.000 2.327 344 Q HA 0.617 4.957 4.340 -0.000 0.000 0.270 344 Q C -1.105 174.903 176.000 0.013 0.000 1.022 344 Q CA -0.829 54.877 55.803 -0.161 0.000 0.773 344 Q CB 1.493 30.286 28.738 0.093 0.000 1.251 344 Q HN 0.584 nan 8.270 nan 0.000 0.457 345 V N 0.164 119.977 119.914 -0.168 0.000 3.141 345 V HA 0.887 5.007 4.120 -0.000 0.000 0.312 345 V C 0.623 176.577 176.094 -0.232 0.000 1.157 345 V CA -0.089 62.081 62.300 -0.217 0.000 1.041 345 V CB 1.340 32.781 31.823 -0.636 0.000 1.071 345 V HN 0.987 nan 8.190 nan 0.000 0.441 346 G N 0.548 109.153 108.800 -0.325 0.000 2.321 346 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.287 346 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.287 346 G C 0.506 175.223 174.900 -0.306 0.000 1.018 346 G CA 0.538 45.430 45.100 -0.347 0.000 0.855 346 G HN 2.247 nan 8.290 nan 0.000 0.507 347 A N -0.372 122.349 122.820 -0.166 0.000 3.168 347 A HA 0.704 5.024 4.320 -0.000 0.000 0.260 347 A C 1.021 178.431 177.584 -0.291 0.000 1.598 347 A CA -0.142 51.794 52.037 -0.170 0.000 1.285 347 A CB -0.410 18.509 19.000 -0.137 0.000 1.149 347 A HN 0.463 nan 8.150 nan 0.000 0.630 348 F N -0.506 119.437 119.950 -0.011 0.000 2.502 348 F HA 0.024 4.550 4.527 -0.000 0.000 0.298 348 F C 0.556 176.329 175.800 -0.045 0.000 1.111 348 F CA 0.363 58.333 58.000 -0.051 0.000 1.445 348 F CB -0.271 38.670 39.000 -0.098 0.000 1.081 348 F HN 0.418 nan 8.300 nan 0.000 0.558 349 Y N 0.638 121.055 120.300 0.194 0.000 2.314 349 Y HA 0.421 4.971 4.550 -0.001 0.000 0.334 349 Y C 1.118 177.062 175.900 0.073 0.000 1.266 349 Y CA -1.181 56.975 58.100 0.094 0.000 1.391 349 Y CB -0.180 38.438 38.460 0.263 0.000 1.306 349 Y HN -0.120 nan 8.280 nan 0.000 0.558 350 G N -0.261 108.646 108.800 0.179 0.000 2.599 350 G HA2 0.299 4.259 3.960 -0.000 0.000 0.264 350 G HA3 0.299 4.259 3.960 -0.000 0.000 0.264 350 G C -0.611 174.534 174.900 0.409 0.000 1.200 350 G CA -0.614 44.614 45.100 0.212 0.000 0.896 350 G HN 0.806 nan 8.290 nan 0.000 0.536 351 Q N -1.614 118.330 119.800 0.239 0.000 2.457 351 Q HA -0.195 4.145 4.340 -0.000 0.000 0.283 351 Q C 0.461 176.385 176.000 -0.127 0.000 1.234 351 Q CA 0.874 56.701 55.803 0.040 0.000 0.877 351 Q CB -2.178 26.583 28.738 0.039 0.000 1.250 351 Q HN 0.747 nan 8.270 nan 0.000 0.481 352 T N -2.329 112.218 114.554 -0.012 0.000 3.273 352 T HA 0.301 4.650 4.350 -0.000 0.000 0.242 352 T C -0.040 174.595 174.700 -0.108 0.000 1.228 352 T CA -0.770 61.307 62.100 -0.037 0.000 1.173 352 T CB 0.195 69.088 68.868 0.042 0.000 1.134 352 T HN 0.028 nan 8.240 nan 0.000 0.635 353 D N 1.781 122.080 120.400 -0.168 0.000 2.406 353 D HA 0.351 4.991 4.640 -0.000 0.000 0.234 353 D C 1.255 177.442 176.300 -0.188 0.000 1.196 353 D CA 0.304 54.200 54.000 -0.174 0.000 0.881 353 D CB 0.293 40.990 40.800 -0.170 0.000 1.205 353 D HN 0.506 nan 8.370 nan 0.000 0.453 354 G N -0.161 108.440 108.800 -0.332 0.000 2.611 354 G HA2 0.386 4.346 3.960 -0.000 0.000 0.273 354 G HA3 0.386 4.346 3.960 -0.000 0.000 0.273 354 G C 0.093 174.906 174.900 -0.145 0.000 1.305 354 G CA -0.729 44.068 45.100 -0.505 0.000 1.010 354 G HN 0.395 nan 8.290 nan 0.000 0.509 355 L N -0.150 121.107 121.223 0.057 0.000 2.473 355 L HA 0.209 4.549 4.340 -0.000 0.000 0.268 355 L C 0.548 177.368 176.870 -0.083 0.000 1.215 355 L CA -0.424 54.466 54.840 0.083 0.000 0.823 355 L CB 0.321 42.457 42.059 0.129 0.000 1.099 355 L HN 0.353 nan 8.230 nan 0.000 0.483 356 E N 1.866 121.972 120.200 -0.156 0.000 2.301 356 E HA 0.329 4.679 4.350 -0.000 0.000 0.275 356 E C -0.680 175.639 176.600 -0.469 0.000 1.030 356 E CA -0.096 56.078 56.400 -0.377 0.000 0.852 356 E CB 1.580 30.882 29.700 -0.663 0.000 1.060 356 E HN 0.424 nan 8.360 nan 0.000 0.401 357 M N 3.452 122.843 119.600 -0.349 0.000 2.065 357 M HA 0.227 4.706 4.480 -0.000 0.000 0.332 357 M C -1.013 175.191 176.300 -0.160 0.000 0.988 357 M CA -0.605 54.572 55.300 -0.205 0.000 0.944 357 M CB 0.375 32.964 32.600 -0.019 0.000 1.357 357 M HN 0.333 nan 8.290 nan 0.000 0.388 358 Y N 1.721 121.914 120.300 -0.178 0.000 2.335 358 Y HA 0.203 4.752 4.550 -0.001 0.000 0.348 358 Y C -1.848 173.939 175.900 -0.188 0.000 1.280 358 Y CA -1.790 56.042 58.100 -0.446 0.000 1.504 358 Y CB -0.419 37.723 38.460 -0.531 0.000 1.366 358 Y HN 0.420 nan 8.280 nan 0.000 0.621 359 P HA -0.011 nan 4.420 nan 0.000 0.261 359 P C 0.554 177.868 177.300 0.024 0.000 1.165 359 P CA 2.224 65.368 63.100 0.074 0.000 0.759 359 P CB 0.131 31.868 31.700 0.062 0.000 0.772 360 G N 1.581 110.400 108.800 0.032 0.000 2.184 360 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.264 360 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.264 360 G C 0.426 175.318 174.900 -0.012 0.000 0.975 360 G CA 0.186 45.286 45.100 0.002 0.000 0.642 360 G HN 0.597 nan 8.290 nan 0.000 0.536 361 T N 0.691 115.244 114.554 -0.003 0.000 2.940 361 T HA 0.442 4.791 4.350 -0.000 0.000 0.309 361 T C 0.631 175.320 174.700 -0.020 0.000 1.056 361 T CA 0.626 62.708 62.100 -0.030 0.000 1.137 361 T CB 0.842 69.691 68.868 -0.033 0.000 0.976 361 T HN 0.344 nan 8.240 nan 0.000 0.547 362 I N 3.862 124.398 120.570 -0.055 0.000 2.439 362 I HA 0.431 4.601 4.170 -0.000 0.000 0.283 362 I C -0.619 175.449 176.117 -0.082 0.000 1.023 362 I CA -0.554 60.718 61.300 -0.048 0.000 1.100 362 I CB 1.395 39.361 38.000 -0.057 0.000 1.238 362 I HN 0.361 nan 8.210 nan 0.000 0.445 363 L N 8.092 129.277 121.223 -0.064 0.000 2.362 363 L HA 0.618 4.958 4.340 -0.000 0.000 0.275 363 L C -1.095 175.724 176.870 -0.085 0.000 0.998 363 L CA 0.042 54.822 54.840 -0.099 0.000 0.820 363 L CB 1.548 43.547 42.059 -0.099 0.000 1.270 363 L HN 0.703 nan 8.230 nan 0.000 0.415 364 Q N 3.029 122.768 119.800 -0.101 0.000 2.522 364 Q HA 0.331 4.670 4.340 -0.000 0.000 0.285 364 Q C -1.592 174.349 176.000 -0.098 0.000 0.982 364 Q CA -0.862 54.887 55.803 -0.089 0.000 0.805 364 Q CB 1.835 30.533 28.738 -0.067 0.000 1.457 364 Q HN 0.699 nan 8.270 nan 0.000 0.394 365 D N -0.027 120.317 120.400 -0.094 0.000 2.828 365 D HA -0.102 4.538 4.640 -0.000 0.000 0.241 365 D C -1.040 175.190 176.300 -0.116 0.000 1.142 365 D CA 0.654 54.601 54.000 -0.088 0.000 0.755 365 D CB -1.170 39.586 40.800 -0.074 0.000 1.014 365 D HN 0.364 nan 8.370 nan 0.000 0.420 366 V N 0.865 120.681 119.914 -0.162 0.000 2.823 366 V HA 0.671 4.791 4.120 -0.000 0.000 0.312 366 V C -0.218 175.714 176.094 -0.269 0.000 1.072 366 V CA -1.006 61.130 62.300 -0.272 0.000 0.937 366 V CB 2.485 34.058 31.823 -0.416 0.000 1.013 366 V HN 0.220 nan 8.190 nan 0.000 0.430 367 F N 3.852 123.513 119.950 -0.483 0.000 2.493 367 F HA 0.738 5.265 4.527 -0.001 0.000 0.329 367 F C -1.513 174.090 175.800 -0.327 0.000 1.126 367 F CA -0.599 57.211 58.000 -0.317 0.000 0.937 367 F CB 1.333 40.154 39.000 -0.298 0.000 1.146 367 F HN 0.396 nan 8.300 nan 0.000 0.442 368 Y N 5.079 124.901 120.300 -0.797 0.000 2.326 368 Y HA 0.291 4.841 4.550 -0.000 0.000 0.329 368 Y C -0.861 174.730 175.900 -0.516 0.000 0.973 368 Y CA -0.961 56.849 58.100 -0.483 0.000 1.162 368 Y CB 0.924 39.216 38.460 -0.281 0.000 1.147 368 Y HN 0.610 nan 8.280 nan 0.000 0.456 369 H N 1.672 120.664 119.070 -0.130 0.000 2.541 369 H HA 0.616 5.172 4.556 -0.001 0.000 0.316 369 H C -0.895 174.380 175.328 -0.087 0.000 1.043 369 H CA -0.146 55.853 56.048 -0.082 0.000 1.232 369 H CB 1.244 30.973 29.762 -0.055 0.000 1.406 369 H HN 0.607 nan 8.280 nan 0.000 0.469 370 T N 3.150 117.483 114.554 -0.369 0.000 2.923 370 T HA 0.160 4.510 4.350 -0.000 0.000 0.311 370 T C -0.516 174.022 174.700 -0.271 0.000 1.183 370 T CA -0.751 61.164 62.100 -0.309 0.000 1.020 370 T CB 1.304 70.033 68.868 -0.233 0.000 1.165 370 T HN 0.682 nan 8.240 nan 0.000 0.482 371 D N 2.374 122.664 120.400 -0.183 0.000 2.501 371 D HA 0.347 4.986 4.640 -0.000 0.000 0.226 371 D C -0.003 176.301 176.300 0.008 0.000 1.198 371 D CA 0.004 53.959 54.000 -0.075 0.000 0.830 371 D CB 0.304 41.089 40.800 -0.025 0.000 1.014 371 D HN 0.532 nan 8.370 nan 0.000 0.496 372 D N -1.035 119.358 120.400 -0.012 0.000 3.145 372 D HA 0.023 4.663 4.640 -0.000 0.000 0.345 372 D C -1.050 175.263 176.300 0.021 0.000 1.391 372 D CA -0.448 53.581 54.000 0.049 0.000 0.930 372 D CB 0.958 41.785 40.800 0.046 0.000 1.451 372 D HN -0.197 nan 8.370 nan 0.000 0.555 373 D N 0.248 120.692 120.400 0.073 0.000 2.662 373 D HA 0.110 4.750 4.640 -0.000 0.000 0.237 373 D C 0.779 177.020 176.300 -0.099 0.000 1.154 373 D CA 0.584 54.617 54.000 0.055 0.000 0.861 373 D CB 0.933 41.830 40.800 0.163 0.000 1.146 373 D HN 0.441 nan 8.370 nan 0.000 0.518 374 G N 2.761 111.484 108.800 -0.129 0.000 2.624 374 G HA2 0.038 3.998 3.960 -0.000 0.000 0.216 374 G HA3 0.038 3.998 3.960 -0.000 0.000 0.216 374 G C 0.553 175.240 174.900 -0.356 0.000 1.274 374 G CA -0.262 44.663 45.100 -0.292 0.000 0.856 374 G HN 0.463 nan 8.290 nan 0.000 0.555 375 L N 1.725 122.818 121.223 -0.217 0.000 2.259 375 L HA 0.341 4.681 4.340 -0.000 0.000 0.288 375 L C -0.556 176.256 176.870 -0.096 0.000 1.051 375 L CA -0.358 54.348 54.840 -0.225 0.000 0.824 375 L CB 1.387 43.250 42.059 -0.327 0.000 1.206 375 L HN 0.135 nan 8.230 nan 0.000 0.429 376 K N 4.662 124.931 120.400 -0.219 0.000 2.250 376 K HA 0.262 4.582 4.320 -0.000 0.000 0.285 376 K C -0.012 176.413 176.600 -0.291 0.000 1.097 376 K CA -0.015 55.988 56.287 -0.474 0.000 0.913 376 K CB 0.995 32.956 32.500 -0.899 0.000 1.179 376 K HN 0.546 nan 8.250 nan 0.000 0.462 377 M N 4.534 124.210 119.600 0.126 0.000 3.213 377 M HA 0.090 4.569 4.480 -0.000 0.000 0.275 377 M C -0.838 175.701 176.300 0.397 0.000 1.424 377 M CA -0.058 55.445 55.300 0.338 0.000 1.561 377 M CB 0.136 32.950 32.600 0.357 0.000 1.109 377 M HN 0.594 nan 8.290 nan 0.000 0.552 378 Y N 1.458 121.804 120.300 0.076 0.000 2.445 378 Y HA 0.282 4.832 4.550 -0.000 0.000 0.247 378 Y C -0.686 174.877 175.900 -0.561 0.000 1.129 378 Y CA -0.582 57.382 58.100 -0.227 0.000 1.251 378 Y CB -0.146 38.100 38.460 -0.357 0.000 1.176 378 Y HN 0.375 nan 8.280 nan 0.000 0.522 379 Y N -1.229 119.213 120.300 0.237 0.000 2.545 379 Y HA 0.528 5.078 4.550 -0.000 0.000 0.348 379 Y C 0.539 176.493 175.900 0.091 0.000 1.002 379 Y CA -1.621 56.575 58.100 0.160 0.000 1.039 379 Y CB 1.431 39.995 38.460 0.173 0.000 1.271 379 Y HN -0.371 nan 8.280 nan 0.000 0.467 380 S N 1.718 117.551 115.700 0.223 0.000 2.614 380 S HA 0.108 4.578 4.470 -0.000 0.000 0.265 380 S C -0.125 174.526 174.600 0.084 0.000 1.303 380 S CA -0.559 57.701 58.200 0.101 0.000 1.000 380 S CB 0.027 63.268 63.200 0.068 0.000 0.935 380 S HN 0.804 nan 8.310 nan 0.000 0.551 381 N N -0.562 118.154 118.700 0.026 0.000 2.725 381 N HA -0.137 4.602 4.740 -0.000 0.000 0.251 381 N C -1.092 174.439 175.510 0.034 0.000 1.031 381 N CA 0.363 53.421 53.050 0.013 0.000 0.720 381 N CB -1.659 36.835 38.487 0.011 0.000 0.930 381 N HN 0.284 nan 8.380 nan 0.000 0.543 382 V N 0.193 120.139 119.914 0.054 0.000 2.547 382 V HA 0.558 4.677 4.120 -0.000 0.000 0.299 382 V C 0.617 176.785 176.094 0.123 0.000 1.040 382 V CA -0.275 62.088 62.300 0.104 0.000 0.913 382 V CB 2.341 34.277 31.823 0.188 0.000 0.992 382 V HN 0.219 nan 8.190 nan 0.000 0.449 383 T N 3.780 118.410 114.554 0.127 0.000 2.840 383 T HA 0.738 5.088 4.350 -0.000 0.000 0.287 383 T C -0.472 174.318 174.700 0.149 0.000 0.991 383 T CA -0.343 61.841 62.100 0.141 0.000 0.964 383 T CB 1.505 70.410 68.868 0.061 0.000 0.954 383 T HN 0.937 nan 8.240 nan 0.000 0.438 384 A N 4.143 127.102 122.820 0.233 0.000 2.359 384 A HA 0.889 5.208 4.320 -0.000 0.000 0.303 384 A C -0.278 177.346 177.584 0.066 0.000 1.066 384 A CA -1.055 51.029 52.037 0.078 0.000 0.730 384 A CB 1.151 20.091 19.000 -0.100 0.000 1.211 384 A HN 0.919 nan 8.150 nan 0.000 0.439 385 R N 1.229 121.725 120.500 -0.007 0.000 2.774 385 R HA 0.683 5.023 4.340 -0.000 0.000 0.272 385 R C -0.714 175.549 176.300 -0.063 0.000 1.000 385 R CA -0.688 55.402 56.100 -0.016 0.000 0.906 385 R CB 0.731 31.037 30.300 0.010 0.000 1.227 385 R HN 0.693 nan 8.270 nan 0.000 0.468 386 N N 0.500 119.159 118.700 -0.068 0.000 2.648 386 N HA -0.175 4.564 4.740 -0.000 0.000 0.265 386 N C -1.219 174.235 175.510 -0.094 0.000 1.100 386 N CA 0.519 53.526 53.050 -0.070 0.000 0.715 386 N CB -1.017 37.437 38.487 -0.055 0.000 0.881 386 N HN 0.447 nan 8.380 nan 0.000 0.548 387 I N 0.521 121.012 120.570 -0.132 0.000 2.474 387 I HA 0.479 4.648 4.170 -0.000 0.000 0.294 387 I C 0.100 176.138 176.117 -0.132 0.000 1.005 387 I CA -1.118 60.092 61.300 -0.150 0.000 1.113 387 I CB 2.037 39.929 38.000 -0.181 0.000 1.289 387 I HN -0.139 nan 8.210 nan 0.000 0.436 388 V N 6.622 126.477 119.914 -0.099 0.000 2.448 388 V HA 0.476 4.596 4.120 -0.000 0.000 0.295 388 V C -0.257 175.694 176.094 -0.237 0.000 1.025 388 V CA -0.492 61.769 62.300 -0.065 0.000 0.859 388 V CB 1.720 33.645 31.823 0.171 0.000 0.988 388 V HN 0.687 nan 8.190 nan 0.000 0.431 389 M N 5.504 124.988 119.600 -0.193 0.000 2.326 389 M HA 0.450 4.930 4.480 -0.000 0.000 0.306 389 M C -1.851 174.408 176.300 -0.069 0.000 1.054 389 M CA -0.549 54.635 55.300 -0.195 0.000 0.922 389 M CB 1.929 34.469 32.600 -0.100 0.000 1.632 389 M HN 0.814 nan 8.290 nan 0.000 0.436 390 W N 6.512 127.685 121.300 -0.212 0.000 2.296 390 W HA 0.365 5.025 4.660 -0.001 0.000 0.333 390 W C -0.864 175.651 176.519 -0.006 0.000 0.931 390 W CA -0.826 56.545 57.345 0.042 0.000 1.538 390 W CB 0.674 30.296 29.460 0.270 0.000 1.417 390 W HN 0.596 nan 8.180 nan 0.000 0.380 391 K N 3.432 123.954 120.400 0.202 0.000 2.298 391 K HA 0.126 4.446 4.320 -0.000 0.000 0.280 391 K C 0.462 177.119 176.600 0.095 0.000 1.032 391 K CA 0.566 56.886 56.287 0.055 0.000 0.958 391 K CB 1.134 33.607 32.500 -0.046 0.000 0.978 391 K HN 0.504 nan 8.250 nan 0.000 0.472 392 E N 1.217 121.401 120.200 -0.026 0.000 3.277 392 E HA 0.157 4.507 4.350 -0.000 0.000 0.426 392 E C 0.362 176.882 176.600 -0.134 0.000 0.326 392 E CA 0.085 56.491 56.400 0.011 0.000 2.454 392 E CB 0.201 29.884 29.700 -0.028 0.000 2.219 392 E HN 0.632 nan 8.360 nan 0.000 0.459 393 S N -0.239 115.434 115.700 -0.045 0.000 2.540 393 S HA 0.217 4.687 4.470 -0.000 0.000 0.222 393 S C -0.153 174.515 174.600 0.112 0.000 1.008 393 S CA -0.265 57.917 58.200 -0.029 0.000 0.939 393 S CB 1.047 64.322 63.200 0.124 0.000 0.865 393 S HN 0.013 nan 8.310 nan 0.000 0.499 394 V N 1.493 121.484 119.914 0.128 0.000 2.823 394 V HA 0.855 4.975 4.120 -0.000 0.000 0.312 394 V C -0.108 176.156 176.094 0.284 0.000 1.072 394 V CA -0.496 61.956 62.300 0.255 0.000 0.937 394 V CB 1.048 32.986 31.823 0.192 0.000 1.013 394 V HN 0.473 nan 8.190 nan 0.000 0.430 395 A N 4.904 127.907 122.820 0.305 0.000 2.454 395 A HA -0.003 4.317 4.320 -0.000 0.000 0.685 395 A C -2.727 174.991 177.584 0.222 0.000 0.152 395 A CA -0.122 52.047 52.037 0.220 0.000 0.038 395 A CB -1.731 17.390 19.000 0.201 0.000 3.970 395 A HN 0.697 nan 8.150 nan 0.000 0.548 396 P HA 0.355 nan 4.420 nan 0.000 0.274 396 P C 1.098 178.433 177.300 0.058 0.000 1.256 396 P CA 0.288 63.409 63.100 0.035 0.000 0.795 396 P CB 0.596 32.261 31.700 -0.057 0.000 1.038 397 V N 0.462 120.381 119.914 0.009 0.000 2.270 397 V HA -0.096 4.024 4.120 -0.000 0.000 0.245 397 V C 1.251 177.334 176.094 -0.019 0.000 1.043 397 V CA 1.555 63.845 62.300 -0.016 0.000 1.014 397 V CB -0.317 31.475 31.823 -0.051 0.000 0.645 397 V HN 0.297 nan 8.190 nan 0.000 0.447 398 V N 0.641 120.541 119.914 -0.023 0.000 2.459 398 V HA 0.528 4.648 4.120 -0.000 0.000 0.295 398 V C -0.536 175.653 176.094 0.158 0.000 1.029 398 V CA -0.518 61.832 62.300 0.084 0.000 0.874 398 V CB 1.705 33.556 31.823 0.046 0.000 0.985 398 V HN 0.517 nan 8.190 nan 0.000 0.438 399 E N 3.952 124.301 120.200 0.248 0.000 2.234 399 E HA 0.614 4.964 4.350 -0.000 0.000 0.266 399 E C -0.780 176.158 176.600 0.563 0.000 0.877 399 E CA -0.540 56.041 56.400 0.302 0.000 0.758 399 E CB 1.385 31.236 29.700 0.252 0.000 1.170 399 E HN 0.534 nan 8.360 nan 0.000 0.415 400 F N 2.377 122.460 119.950 0.222 0.000 2.697 400 F HA 0.656 5.182 4.527 -0.000 0.000 0.367 400 F C 0.176 176.019 175.800 0.072 0.000 1.300 400 F CA -0.515 57.639 58.000 0.257 0.000 1.121 400 F CB 0.094 39.232 39.000 0.230 0.000 1.188 400 F HN 0.423 nan 8.300 nan 0.000 0.511 401 G N -0.194 108.492 108.800 -0.190 0.000 2.945 401 G HA2 0.407 4.367 3.960 -0.000 0.000 0.156 401 G HA3 0.407 4.367 3.960 -0.000 0.000 0.156 401 G C 0.015 174.853 174.900 -0.104 0.000 1.375 401 G CA 0.009 44.903 45.100 -0.344 0.000 1.039 401 G HN 0.509 nan 8.290 nan 0.000 0.586 402 W N -1.521 119.747 121.300 -0.054 0.000 0.688 402 W HA -0.266 4.393 4.660 -0.001 0.000 0.217 402 W C 0.498 177.006 176.519 -0.019 0.000 0.919 402 W CA 1.366 58.714 57.345 0.004 0.000 0.341 402 W CB -1.159 28.271 29.460 -0.050 0.000 1.913 402 W HN 0.671 nan 8.180 nan 0.000 1.347 403 T N 0.525 115.151 114.554 0.120 0.000 3.032 403 T HA 0.287 4.636 4.350 -0.000 0.000 0.312 403 T C -2.603 172.082 174.700 -0.024 0.000 1.078 403 T CA -1.009 61.117 62.100 0.044 0.000 1.028 403 T CB 2.860 71.718 68.868 -0.017 0.000 1.091 403 T HN -0.264 nan 8.240 nan 0.000 0.457 404 P HA 0.341 nan 4.420 nan 0.000 0.268 404 P C -0.742 176.547 177.300 -0.018 0.000 1.204 404 P CA -0.322 62.766 63.100 -0.020 0.000 0.768 404 P CB 0.891 32.599 31.700 0.013 0.000 0.842 405 R N 1.643 122.131 120.500 -0.020 0.000 2.799 405 R HA 0.431 4.771 4.340 -0.000 0.000 0.270 405 R C -0.503 175.792 176.300 -0.009 0.000 1.010 405 R CA -0.938 55.148 56.100 -0.023 0.000 0.916 405 R CB 1.313 31.580 30.300 -0.055 0.000 1.228 405 R HN 0.340 nan 8.270 nan 0.000 0.469 406 N N 1.022 119.719 118.700 -0.006 0.000 2.485 406 N HA 0.292 5.031 4.740 -0.000 0.000 0.243 406 N C -1.328 174.179 175.510 -0.004 0.000 0.987 406 N CA 0.079 53.127 53.050 -0.004 0.000 0.940 406 N CB 1.826 40.316 38.487 0.006 0.000 1.122 406 N HN 0.418 nan 8.380 nan 0.000 0.509 407 T N 1.409 115.952 114.554 -0.018 0.000 2.881 407 T HA 0.448 4.797 4.350 -0.000 0.000 0.290 407 T C -0.432 174.230 174.700 -0.062 0.000 1.000 407 T CA -0.809 61.278 62.100 -0.022 0.000 0.978 407 T CB 1.839 70.697 68.868 -0.016 0.000 0.997 407 T HN 0.520 nan 8.240 nan 0.000 0.443 408 E N 1.857 122.022 120.200 -0.059 0.000 2.390 408 E HA 0.560 4.909 4.350 -0.000 0.000 0.277 408 E C -1.195 175.345 176.600 -0.100 0.000 0.939 408 E CA -1.269 55.073 56.400 -0.097 0.000 0.769 408 E CB 1.069 30.724 29.700 -0.075 0.000 1.251 408 E HN 0.397 nan 8.360 nan 0.000 0.450 409 N N -0.305 118.309 118.700 -0.142 0.000 2.663 409 N HA -0.112 4.628 4.740 -0.000 0.000 0.263 409 N C -1.312 174.114 175.510 -0.139 0.000 1.109 409 N CA 0.747 53.716 53.050 -0.136 0.000 0.701 409 N CB -1.304 37.131 38.487 -0.085 0.000 0.879 409 N HN 0.390 nan 8.380 nan 0.000 0.550 410 V N 0.840 120.617 119.914 -0.228 0.000 2.604 410 V HA 0.668 4.787 4.120 -0.000 0.000 0.305 410 V C 0.020 175.932 176.094 -0.304 0.000 1.043 410 V CA -0.924 61.222 62.300 -0.257 0.000 0.888 410 V CB 2.272 33.858 31.823 -0.396 0.000 0.995 410 V HN 0.360 nan 8.190 nan 0.000 0.429 411 L N 5.153 126.292 121.223 -0.140 0.000 2.406 411 L HA 0.729 5.069 4.340 -0.000 0.000 0.272 411 L C -1.738 175.312 176.870 0.300 0.000 0.980 411 L CA 0.003 54.830 54.840 -0.022 0.000 0.831 411 L CB 1.438 43.505 42.059 0.013 0.000 1.253 411 L HN 0.403 nan 8.230 nan 0.000 0.406 412 F N 3.244 123.339 119.950 0.241 0.000 2.427 412 F HA 0.529 5.056 4.527 -0.001 0.000 0.348 412 F C -0.087 175.931 175.800 0.363 0.000 1.125 412 F CA -1.156 57.052 58.000 0.348 0.000 0.989 412 F CB 1.476 40.851 39.000 0.625 0.000 1.165 412 F HN 0.525 nan 8.300 nan 0.000 0.442 413 D N 1.799 122.407 120.400 0.347 0.000 2.619 413 D HA 0.259 4.899 4.640 -0.000 0.000 0.241 413 D C -0.308 176.022 176.300 0.050 0.000 1.087 413 D CA -0.263 53.868 54.000 0.218 0.000 0.851 413 D CB 1.244 42.131 40.800 0.146 0.000 1.474 413 D HN 0.607 nan 8.370 nan 0.000 0.478 414 N N 2.353 121.064 118.700 0.019 0.000 2.610 414 N HA -0.156 4.583 4.740 -0.000 0.000 0.271 414 N C -1.544 173.837 175.510 -0.214 0.000 1.146 414 N CA -0.027 52.983 53.050 -0.066 0.000 0.711 414 N CB -0.400 38.071 38.487 -0.026 0.000 0.883 414 N HN 0.126 nan 8.380 nan 0.000 0.548 415 V N 2.043 121.678 119.914 -0.464 0.000 2.378 415 V HA 0.280 4.400 4.120 -0.000 0.000 0.288 415 V C -0.058 175.772 176.094 -0.441 0.000 1.016 415 V CA -0.580 61.340 62.300 -0.633 0.000 0.840 415 V CB 1.581 32.580 31.823 -1.374 0.000 0.994 415 V HN 0.335 nan 8.190 nan 0.000 0.431 416 D N 4.262 124.514 120.400 -0.247 0.000 2.427 416 D HA 0.298 4.938 4.640 -0.000 0.000 0.226 416 D C -0.479 175.730 176.300 -0.151 0.000 1.076 416 D CA -0.227 53.678 54.000 -0.159 0.000 0.849 416 D CB 1.974 42.714 40.800 -0.100 0.000 1.052 416 D HN 0.281 nan 8.370 nan 0.000 0.515 417 V N 7.026 126.857 119.914 -0.139 0.000 2.338 417 V HA 0.079 4.199 4.120 -0.000 0.000 0.255 417 V C 1.894 177.879 176.094 -0.181 0.000 1.082 417 V CA -0.326 61.898 62.300 -0.127 0.000 0.951 417 V CB 0.240 32.016 31.823 -0.077 0.000 1.102 417 V HN 0.546 nan 8.190 nan 0.000 0.489 418 I N 0.798 121.220 120.570 -0.247 0.000 2.676 418 I HA 0.156 4.325 4.170 -0.000 0.000 0.259 418 I C 0.689 176.302 176.117 -0.839 0.000 1.194 418 I CA 1.041 62.060 61.300 -0.470 0.000 1.473 418 I CB -0.174 37.562 38.000 -0.440 0.000 1.096 418 I HN 0.566 nan 8.210 nan 0.000 0.443 419 H N -0.105 118.722 119.070 -0.406 0.000 3.046 419 H HA 0.590 5.146 4.556 -0.000 0.000 0.361 419 H C -1.273 173.917 175.328 -0.230 0.000 1.235 419 H CA -0.660 55.117 56.048 -0.451 0.000 1.146 419 H CB 1.543 30.695 29.762 -1.018 0.000 1.859 419 H HN 0.118 nan 8.280 nan 0.000 0.548 420 Q N 0.690 120.497 119.800 0.011 0.000 2.377 420 Q HA 0.731 5.071 4.340 -0.000 0.000 0.279 420 Q C -1.324 174.654 176.000 -0.036 0.000 1.049 420 Q CA -0.940 54.828 55.803 -0.058 0.000 0.825 420 Q CB 3.045 31.803 28.738 0.033 0.000 1.401 420 Q HN 0.692 nan 8.270 nan 0.000 0.404 421 A N 1.852 124.582 122.820 -0.150 0.000 3.292 421 A HA 0.387 4.707 4.320 -0.000 0.000 0.231 421 A C -1.371 176.234 177.584 0.035 0.000 0.952 421 A CA -0.332 51.707 52.037 0.003 0.000 1.044 421 A CB 0.129 19.174 19.000 0.074 0.000 1.236 421 A HN 0.589 nan 8.150 nan 0.000 0.525 422 Y N -0.726 119.663 120.300 0.148 0.000 2.385 422 Y HA 0.356 4.906 4.550 -0.001 0.000 0.346 422 Y C 1.486 177.469 175.900 0.138 0.000 1.270 422 Y CA 1.040 59.220 58.100 0.133 0.000 1.472 422 Y CB 0.948 39.466 38.460 0.096 0.000 1.354 422 Y HN 0.395 nan 8.280 nan 0.000 0.611 423 A N 0.928 123.933 122.820 0.309 0.000 2.066 423 A HA 0.228 4.547 4.320 -0.000 0.000 0.198 423 A C 0.168 177.849 177.584 0.162 0.000 1.405 423 A CA 0.435 52.598 52.037 0.209 0.000 0.973 423 A CB 0.093 19.197 19.000 0.173 0.000 1.026 423 A HN 0.826 nan 8.150 nan 0.000 0.474 424 N N -2.953 115.842 118.700 0.158 0.000 3.116 424 N HA 0.371 5.111 4.740 -0.000 0.000 0.244 424 N C 0.696 176.261 175.510 0.092 0.000 1.485 424 N CA -0.062 53.053 53.050 0.110 0.000 0.884 424 N CB 0.973 39.518 38.487 0.097 0.000 1.415 424 N HN 0.073 nan 8.380 nan 0.000 0.524 425 A N 0.135 123.004 122.820 0.080 0.000 1.978 425 A HA 0.018 4.338 4.320 -0.000 0.000 0.220 425 A C 1.988 179.634 177.584 0.103 0.000 1.170 425 A CA 2.180 54.270 52.037 0.090 0.000 0.636 425 A CB -1.420 17.646 19.000 0.111 0.000 0.810 425 A HN 0.805 nan 8.150 nan 0.000 0.448 426 G N -0.243 108.620 108.800 0.104 0.000 2.498 426 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.219 426 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.219 426 G C 1.196 176.176 174.900 0.133 0.000 1.119 426 G CA 0.953 46.122 45.100 0.115 0.000 0.766 426 G HN 0.758 nan 8.290 nan 0.000 0.552 427 N N 0.678 119.460 118.700 0.137 0.000 2.494 427 N HA -0.031 4.709 4.740 -0.000 0.000 0.182 427 N C 0.119 175.710 175.510 0.135 0.000 1.076 427 N CA 0.085 53.244 53.050 0.181 0.000 0.908 427 N CB 0.038 38.696 38.487 0.285 0.000 0.967 427 N HN 0.033 nan 8.380 nan 0.000 0.449 428 N N 0.569 119.307 118.700 0.062 0.000 2.727 428 N HA -0.103 4.636 4.740 -0.000 0.000 0.251 428 N C -2.690 172.736 175.510 -0.141 0.000 1.040 428 N CA 0.506 53.556 53.050 -0.001 0.000 0.712 428 N CB -0.708 37.793 38.487 0.024 0.000 0.912 428 N HN 0.357 nan 8.380 nan 0.000 0.545 429 P HA 0.469 nan 4.420 nan 0.000 0.275 429 P C 0.594 177.556 177.300 -0.564 0.000 1.266 429 P CA 0.547 63.116 63.100 -0.886 0.000 0.793 429 P CB 1.043 32.041 31.700 -1.169 0.000 1.074 430 G N -0.948 107.526 108.800 -0.543 0.000 2.453 430 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.665 430 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.665 430 G C 0.312 175.076 174.900 -0.228 0.000 1.411 430 G CA -0.510 44.397 45.100 -0.322 0.000 0.889 430 G HN 0.338 nan 8.290 nan 0.000 0.651 431 I N -0.103 120.298 120.570 -0.282 0.000 2.235 431 I HA 0.142 4.312 4.170 -0.000 0.000 0.241 431 I C 0.788 176.489 176.117 -0.694 0.000 1.085 431 I CA 1.041 62.039 61.300 -0.503 0.000 1.378 431 I CB -0.069 37.478 38.000 -0.754 0.000 1.076 431 I HN 0.306 nan 8.210 nan 0.000 0.415 432 F N 1.071 120.887 119.950 -0.224 0.000 2.347 432 F HA 0.558 5.085 4.527 -0.001 0.000 0.366 432 F C 0.541 176.279 175.800 -0.103 0.000 1.107 432 F CA -0.700 57.102 58.000 -0.329 0.000 1.058 432 F CB 1.223 39.918 39.000 -0.508 0.000 1.236 432 F HN -0.151 nan 8.300 nan 0.000 0.456 433 G N 1.377 110.210 108.800 0.055 0.000 2.574 433 G HA2 0.764 4.723 3.960 -0.000 0.000 0.299 433 G HA3 0.764 4.723 3.960 -0.000 0.000 0.299 433 G C -1.809 172.914 174.900 -0.296 0.000 1.298 433 G CA -1.152 43.881 45.100 -0.112 0.000 0.952 433 G HN 0.744 nan 8.290 nan 0.000 0.477 434 A N 0.813 123.322 122.820 -0.519 0.000 2.599 434 A HA 0.630 4.950 4.320 -0.000 0.000 0.281 434 A C 0.155 177.452 177.584 -0.479 0.000 1.137 434 A CA -0.277 51.311 52.037 -0.749 0.000 0.767 434 A CB 0.542 18.736 19.000 -1.344 0.000 1.266 434 A HN 2.015 nan 8.150 nan 0.000 0.420 435 V N 1.274 120.879 119.914 -0.514 0.000 3.489 435 V HA 0.393 4.513 4.120 -0.000 0.000 0.297 435 V C 0.810 176.697 176.094 -0.346 0.000 1.071 435 V CA -0.378 61.651 62.300 -0.451 0.000 1.074 435 V CB 0.133 31.462 31.823 -0.822 0.000 1.188 435 V HN 0.858 nan 8.190 nan 0.000 0.458 436 N N 0.361 118.991 118.700 -0.116 0.000 2.229 436 N HA 0.025 4.765 4.740 -0.000 0.000 0.242 436 N C 0.145 175.758 175.510 0.172 0.000 1.327 436 N CA 0.342 53.484 53.050 0.153 0.000 0.896 436 N CB 0.028 38.705 38.487 0.317 0.000 1.129 436 N HN 0.984 nan 8.380 nan 0.000 0.490 437 N N 0.321 119.241 118.700 0.367 0.000 2.420 437 N HA -0.048 4.692 4.740 -0.000 0.000 0.262 437 N C 0.325 176.114 175.510 0.465 0.000 1.144 437 N CA -0.206 53.091 53.050 0.411 0.000 0.952 437 N CB 0.304 39.099 38.487 0.513 0.000 1.081 437 N HN 0.535 nan 8.380 nan 0.000 0.480 438 Y N 4.532 125.095 120.300 0.439 0.000 2.256 438 Y HA -0.202 4.348 4.550 -0.000 0.000 0.288 438 Y C 1.501 177.466 175.900 0.108 0.000 1.155 438 Y CA 1.515 59.821 58.100 0.343 0.000 1.203 438 Y CB 0.098 38.643 38.460 0.141 0.000 0.980 438 Y HN 0.654 nan 8.280 nan 0.000 0.530 439 L N -1.387 119.873 121.223 0.063 0.000 2.131 439 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 439 L C 1.278 177.815 176.870 -0.554 0.000 1.092 439 L CA 1.572 56.223 54.840 -0.315 0.000 0.759 439 L CB -0.493 41.232 42.059 -0.557 0.000 0.903 439 L HN 0.317 nan 8.230 nan 0.000 0.435 440 Y N -1.633 118.706 120.300 0.066 0.000 2.430 440 Y HA 0.442 4.991 4.550 -0.000 0.000 0.254 440 Y C 0.912 176.832 175.900 0.034 0.000 1.088 440 Y CA -0.014 58.115 58.100 0.048 0.000 1.267 440 Y CB 0.510 39.020 38.460 0.085 0.000 1.204 440 Y HN -0.038 nan 8.280 nan 0.000 0.515 441 A N 1.189 124.110 122.820 0.167 0.000 3.127 441 A HA 0.367 4.687 4.320 -0.000 0.000 0.319 441 A C -2.114 175.544 177.584 0.123 0.000 1.104 441 A CA -1.077 51.049 52.037 0.148 0.000 0.802 441 A CB 0.288 19.422 19.000 0.223 0.000 1.193 441 A HN -0.045 nan 8.150 nan 0.000 0.479 442 P HA -0.191 nan 4.420 nan 0.000 0.221 442 P C 0.429 177.858 177.300 0.215 0.000 1.145 442 P CA 1.716 64.601 63.100 -0.357 0.000 0.795 442 P CB 0.140 31.524 31.700 -0.526 0.000 0.775 443 D N -1.722 118.834 120.400 0.260 0.000 2.339 443 D HA 0.101 4.741 4.640 -0.000 0.000 0.217 443 D C 1.535 178.069 176.300 0.389 0.000 1.050 443 D CA 0.467 54.669 54.000 0.338 0.000 0.856 443 D CB -0.821 40.106 40.800 0.211 0.000 0.922 443 D HN 0.238 nan 8.370 nan 0.000 0.518 444 G N -0.122 108.920 108.800 0.402 0.000 2.234 444 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.260 444 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.260 444 G C -0.174 174.769 174.900 0.072 0.000 0.987 444 G CA 0.487 45.618 45.100 0.052 0.000 0.625 444 G HN 0.514 nan 8.290 nan 0.000 0.532 445 L N 1.090 122.398 121.223 0.142 0.000 2.349 445 L HA 0.870 5.210 4.340 -0.000 0.000 0.278 445 L C -0.268 176.674 176.870 0.120 0.000 0.996 445 L CA -0.156 54.767 54.840 0.139 0.000 0.825 445 L CB 2.130 44.267 42.059 0.129 0.000 1.243 445 L HN 0.571 nan 8.230 nan 0.000 0.412 446 S N 1.334 117.106 115.700 0.120 0.000 2.543 446 S HA 0.375 4.844 4.470 -0.000 0.000 0.274 446 S C 0.521 175.092 174.600 -0.048 0.000 1.149 446 S CA 0.061 58.288 58.200 0.045 0.000 0.866 446 S CB 1.274 64.515 63.200 0.069 0.000 1.111 446 S HN 0.788 nan 8.310 nan 0.000 0.457 447 S N 2.327 117.906 115.700 -0.202 0.000 2.522 447 S HA 0.056 4.526 4.470 -0.000 0.000 0.227 447 S C 0.644 174.752 174.600 -0.820 0.000 0.986 447 S CA 0.121 58.032 58.200 -0.481 0.000 0.929 447 S CB -0.466 62.542 63.200 -0.319 0.000 0.769 447 S HN 0.655 nan 8.310 nan 0.000 0.529 448 N N 2.177 120.587 118.700 -0.484 0.000 2.399 448 N HA 0.028 4.768 4.740 -0.000 0.000 0.259 448 N C -0.869 174.267 175.510 -0.624 0.000 1.160 448 N CA 0.144 52.917 53.050 -0.462 0.000 0.946 448 N CB 0.046 38.388 38.487 -0.242 0.000 1.156 448 N HN 0.527 nan 8.380 nan 0.000 0.489 449 H N 1.075 119.667 119.070 -0.796 0.000 2.481 449 H HA 0.247 4.803 4.556 -0.000 0.000 0.273 449 H C -0.166 174.448 175.328 -1.189 0.000 1.145 449 H CA -0.394 54.556 56.048 -1.830 0.000 0.964 449 H CB 0.590 29.375 29.762 -1.628 0.000 1.722 449 H HN 0.350 nan 8.280 nan 0.000 0.573 450 S N 0.541 115.939 115.700 -0.504 0.000 2.661 450 S HA 0.015 4.484 4.470 -0.000 0.000 0.245 450 S C 1.055 175.640 174.600 -0.026 0.000 1.117 450 S CA -0.227 57.909 58.200 -0.106 0.000 1.091 450 S CB 0.286 63.429 63.200 -0.095 0.000 0.887 450 S HN 0.567 nan 8.310 nan 0.000 0.491 451 T N -1.643 112.983 114.554 0.120 0.000 3.339 451 T HA 0.430 4.779 4.350 -0.000 0.000 0.292 451 T C 0.771 175.724 174.700 0.423 0.000 1.012 451 T CA -0.342 61.864 62.100 0.176 0.000 0.937 451 T CB 0.496 69.396 68.868 0.054 0.000 1.164 451 T HN 0.254 nan 8.240 nan 0.000 0.509 452 G N 0.954 110.057 108.800 0.506 0.000 2.543 452 G HA2 0.479 4.438 3.960 -0.000 0.000 0.290 452 G HA3 0.479 4.438 3.960 -0.000 0.000 0.290 452 G C -0.725 174.301 174.900 0.210 0.000 1.310 452 G CA -0.742 44.576 45.100 0.362 0.000 1.025 452 G HN 0.356 nan 8.290 nan 0.000 0.502 453 N N -0.729 118.050 118.700 0.132 0.000 2.540 453 N HA 0.125 4.864 4.740 -0.000 0.000 0.275 453 N C 0.953 176.508 175.510 0.075 0.000 1.053 453 N CA -0.189 52.920 53.050 0.099 0.000 0.876 453 N CB 1.761 40.294 38.487 0.077 0.000 1.284 453 N HN 0.335 nan 8.380 nan 0.000 0.518 454 S N 2.164 117.914 115.700 0.084 0.000 2.607 454 S HA 0.047 4.517 4.470 -0.000 0.000 0.224 454 S C 0.666 175.294 174.600 0.046 0.000 0.969 454 S CA 0.221 58.461 58.200 0.067 0.000 0.927 454 S CB -0.055 63.194 63.200 0.082 0.000 0.772 454 S HN 0.490 nan 8.310 nan 0.000 0.533 455 N N 0.676 119.402 118.700 0.044 0.000 2.280 455 N HA 0.315 5.055 4.740 -0.000 0.000 0.192 455 N C -0.116 175.407 175.510 0.022 0.000 1.109 455 N CA 0.307 53.376 53.050 0.032 0.000 0.855 455 N CB 0.222 38.730 38.487 0.036 0.000 0.974 455 N HN 0.493 nan 8.380 nan 0.000 0.482 456 M N 0.026 119.638 119.600 0.019 0.000 2.598 456 M HA 0.359 4.838 4.480 -0.000 0.000 0.317 456 M C -0.667 175.630 176.300 -0.005 0.000 1.179 456 M CA -0.232 55.073 55.300 0.008 0.000 0.936 456 M CB 2.424 35.030 32.600 0.011 0.000 1.713 456 M HN -0.262 nan 8.290 nan 0.000 0.460 457 T N 1.013 115.558 114.554 -0.015 0.000 2.933 457 T HA 0.490 4.839 4.350 -0.000 0.000 0.305 457 T C -1.090 173.586 174.700 -0.041 0.000 1.092 457 T CA -0.608 61.474 62.100 -0.031 0.000 1.008 457 T CB 2.204 71.049 68.868 -0.039 0.000 1.102 457 T HN 0.370 nan 8.240 nan 0.000 0.469 458 V N 4.241 124.124 119.914 -0.051 0.000 2.347 458 V HA 0.623 4.743 4.120 -0.000 0.000 0.280 458 V C 0.100 176.112 176.094 -0.137 0.000 1.021 458 V CA -0.617 61.636 62.300 -0.078 0.000 0.847 458 V CB 0.828 32.628 31.823 -0.038 0.000 0.990 458 V HN 0.847 nan 8.190 nan 0.000 0.444 459 R N 3.141 123.546 120.500 -0.159 0.000 2.808 459 R HA 0.647 4.987 4.340 -0.000 0.000 0.272 459 R C -0.170 175.991 176.300 -0.232 0.000 0.995 459 R CA -1.011 54.977 56.100 -0.187 0.000 0.917 459 R CB 0.866 31.085 30.300 -0.134 0.000 1.217 459 R HN 0.429 nan 8.270 nan 0.000 0.471 460 N N 0.764 119.308 118.700 -0.260 0.000 2.671 460 N HA -0.133 4.607 4.740 -0.000 0.000 0.261 460 N C -1.322 173.967 175.510 -0.369 0.000 1.053 460 N CA 0.530 53.412 53.050 -0.280 0.000 0.732 460 N CB -0.437 37.929 38.487 -0.201 0.000 0.887 460 N HN 0.610 nan 8.380 nan 0.000 0.546 461 I N 0.909 121.161 120.570 -0.530 0.000 2.404 461 I HA 0.401 4.570 4.170 -0.000 0.000 0.293 461 I C 0.497 176.086 176.117 -0.880 0.000 0.992 461 I CA -0.297 60.542 61.300 -0.769 0.000 1.149 461 I CB 1.699 39.060 38.000 -1.065 0.000 1.315 461 I HN 0.166 nan 8.210 nan 0.000 0.446 462 T N 5.675 119.753 114.554 -0.794 0.000 2.881 462 T HA 0.409 4.759 4.350 -0.000 0.000 0.291 462 T C -1.184 173.239 174.700 -0.461 0.000 0.990 462 T CA -0.385 61.348 62.100 -0.611 0.000 0.976 462 T CB 1.093 69.769 68.868 -0.319 0.000 0.970 462 T HN 0.312 nan 8.240 nan 0.000 0.438 463 W N 3.829 124.925 121.300 -0.340 0.000 2.336 463 W HA 0.540 5.200 4.660 -0.001 0.000 0.315 463 W C 0.231 176.713 176.519 -0.062 0.000 1.016 463 W CA -1.136 56.079 57.345 -0.216 0.000 1.318 463 W CB 0.661 29.660 29.460 -0.770 0.000 1.247 463 W HN 0.673 nan 8.180 nan 0.000 0.414 464 S N 1.742 117.696 115.700 0.424 0.000 2.566 464 S HA 0.424 4.893 4.470 -0.000 0.000 0.298 464 S C 0.139 175.007 174.600 0.447 0.000 1.083 464 S CA -0.750 57.648 58.200 0.329 0.000 0.978 464 S CB 1.772 65.069 63.200 0.161 0.000 1.073 464 S HN 0.442 nan 8.310 nan 0.000 0.491 465 N N 0.114 119.008 118.700 0.323 0.000 2.696 465 N HA -0.147 4.592 4.740 -0.000 0.000 0.256 465 N C -1.498 174.180 175.510 0.281 0.000 1.031 465 N CA 0.697 53.896 53.050 0.248 0.000 0.730 465 N CB -1.337 37.234 38.487 0.139 0.000 0.894 465 N HN 0.591 nan 8.380 nan 0.000 0.544 466 F N 0.745 120.777 119.950 0.138 0.000 2.399 466 F HA 0.441 4.968 4.527 -0.000 0.000 0.334 466 F C 1.262 177.094 175.800 0.054 0.000 1.097 466 F CA -0.320 57.741 58.000 0.101 0.000 1.076 466 F CB 1.153 40.240 39.000 0.144 0.000 1.162 466 F HN -0.133 nan 8.300 nan 0.000 0.495 467 R N 1.998 122.560 120.500 0.103 0.000 2.575 467 R HA 0.748 5.088 4.340 -0.000 0.000 0.293 467 R C -1.383 174.917 176.300 -0.000 0.000 0.983 467 R CA -1.073 55.056 56.100 0.049 0.000 0.887 467 R CB 1.982 32.279 30.300 -0.004 0.000 1.184 467 R HN 0.634 nan 8.270 nan 0.000 0.445 468 A N 3.213 126.033 122.820 -0.001 0.000 2.293 468 A HA 0.335 4.654 4.320 -0.000 0.000 0.312 468 A C -0.393 177.147 177.584 -0.073 0.000 1.309 468 A CA -0.658 51.356 52.037 -0.038 0.000 0.839 468 A CB 0.579 19.570 19.000 -0.013 0.000 1.155 468 A HN 0.722 nan 8.150 nan 0.000 0.501 469 E N 1.280 121.405 120.200 -0.127 0.000 2.319 469 E HA 0.529 4.879 4.350 -0.000 0.000 0.268 469 E C 0.940 177.453 176.600 -0.145 0.000 1.050 469 E CA 0.516 56.822 56.400 -0.155 0.000 0.878 469 E CB 1.158 30.719 29.700 -0.233 0.000 1.066 469 E HN 1.286 nan 8.360 nan 0.000 0.406 470 G N 1.698 110.435 108.800 -0.105 0.000 2.645 470 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.246 470 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.246 470 G C -0.173 174.715 174.900 -0.021 0.000 1.322 470 G CA -0.259 44.812 45.100 -0.049 0.000 0.898 470 G HN 0.757 nan 8.290 nan 0.000 0.573 471 S N -0.858 114.856 115.700 0.025 0.000 2.548 471 S HA 0.634 5.104 4.470 -0.000 0.000 0.277 471 S C 0.271 174.925 174.600 0.090 0.000 1.315 471 S CA 0.810 59.047 58.200 0.061 0.000 1.050 471 S CB 1.684 64.940 63.200 0.094 0.000 0.918 471 S HN 2.099 nan 8.310 nan 0.000 0.497 472 S N 1.608 117.381 115.700 0.123 0.000 2.634 472 S HA 0.742 5.211 4.470 -0.000 0.000 0.296 472 S C 0.108 174.887 174.600 0.299 0.000 1.104 472 S CA -0.443 57.861 58.200 0.173 0.000 0.920 472 S CB 1.276 64.523 63.200 0.079 0.000 1.111 472 S HN 1.145 nan 8.310 nan 0.000 0.493 473 S N 2.109 117.960 115.700 0.251 0.000 2.671 473 S HA 0.768 5.238 4.470 -0.000 0.000 0.272 473 S C 0.581 175.260 174.600 0.132 0.000 1.174 473 S CA -0.325 57.948 58.200 0.121 0.000 1.004 473 S CB 0.020 63.128 63.200 -0.154 0.000 1.077 473 S HN 1.327 nan 8.310 nan 0.000 0.553 474 A N 0.051 122.837 122.820 -0.058 0.000 2.507 474 A HA 0.287 4.607 4.320 -0.000 0.000 0.235 474 A C 1.123 178.666 177.584 -0.068 0.000 1.070 474 A CA -0.279 51.698 52.037 -0.101 0.000 0.768 474 A CB -0.483 18.323 19.000 -0.323 0.000 1.011 474 A HN 1.105 nan 8.150 nan 0.000 0.502 475 L N 1.480 122.690 121.223 -0.023 0.000 2.012 475 L HA 0.095 4.435 4.340 -0.000 0.000 0.210 475 L C 0.429 177.342 176.870 0.071 0.000 1.073 475 L CA 2.314 57.137 54.840 -0.027 0.000 0.748 475 L CB -0.612 41.392 42.059 -0.092 0.000 0.891 475 L HN 0.819 nan 8.230 nan 0.000 0.431 476 F N -2.285 117.624 119.950 -0.069 0.000 2.641 476 F HA 0.643 5.170 4.527 -0.000 0.000 0.308 476 F C -0.588 174.978 175.800 -0.391 0.000 1.105 476 F CA -1.233 56.704 58.000 -0.105 0.000 0.964 476 F CB 0.965 40.041 39.000 0.126 0.000 1.294 476 F HN -0.348 nan 8.300 nan 0.000 0.442 477 R N 4.110 124.405 120.500 -0.342 0.000 2.721 477 R HA 0.497 4.837 4.340 -0.000 0.000 0.272 477 R C -1.718 174.198 176.300 -0.640 0.000 1.721 477 R CA -0.410 54.997 56.100 -1.154 0.000 1.325 477 R CB 1.560 30.925 30.300 -1.558 0.000 1.271 477 R HN 0.728 nan 8.270 nan 0.000 0.556 478 I N 1.806 122.275 120.570 -0.170 0.000 2.362 478 I HA 0.260 4.430 4.170 -0.000 0.000 0.289 478 I C -0.163 175.978 176.117 0.040 0.000 0.994 478 I CA -0.780 60.461 61.300 -0.099 0.000 1.158 478 I CB 1.592 39.561 38.000 -0.051 0.000 1.315 478 I HN 0.238 nan 8.210 nan 0.000 0.451 479 N N 8.034 126.651 118.700 -0.140 0.000 2.457 479 N HA 0.280 5.019 4.740 -0.000 0.000 0.250 479 N C -2.498 172.606 175.510 -0.678 0.000 0.982 479 N CA -1.402 51.474 53.050 -0.290 0.000 0.941 479 N CB 1.616 39.917 38.487 -0.310 0.000 1.120 479 N HN 0.204 nan 8.380 nan 0.000 0.505 480 P HA 0.145 nan 4.420 nan 0.000 0.256 480 P C 1.180 178.076 177.300 -0.672 0.000 1.688 480 P CA -0.120 62.701 63.100 -0.464 0.000 1.162 480 P CB -0.302 31.244 31.700 -0.256 0.000 1.870 481 I N -0.822 119.267 120.570 -0.803 0.000 3.176 481 I HA -0.037 4.133 4.170 -0.000 0.000 0.275 481 I C 0.527 176.500 176.117 -0.240 0.000 1.298 481 I CA 0.571 61.435 61.300 -0.728 0.000 1.445 481 I CB -0.366 37.245 38.000 -0.649 0.000 1.075 481 I HN 0.171 nan 8.210 nan 0.000 0.482 482 Q N 1.160 120.854 119.800 -0.176 0.000 2.590 482 Q HA 0.342 4.681 4.340 -0.000 0.000 0.295 482 Q C -1.522 174.437 176.000 -0.068 0.000 0.973 482 Q CA -0.823 54.942 55.803 -0.064 0.000 0.768 482 Q CB 0.649 29.365 28.738 -0.037 0.000 1.479 482 Q HN 0.156 nan 8.270 nan 0.000 0.419 483 N N 0.833 119.510 118.700 -0.040 0.000 2.395 483 N HA 0.231 4.970 4.740 -0.000 0.000 0.246 483 N C -0.414 175.051 175.510 -0.074 0.000 1.246 483 N CA 0.375 53.391 53.050 -0.057 0.000 0.879 483 N CB 0.407 38.873 38.487 -0.035 0.000 1.098 483 N HN 0.430 nan 8.380 nan 0.000 0.444 484 L N 1.141 122.298 121.223 -0.110 0.000 2.341 484 L HA 0.402 4.742 4.340 -0.000 0.000 0.278 484 L C -0.435 176.367 176.870 -0.114 0.000 1.005 484 L CA -0.779 53.997 54.840 -0.106 0.000 0.818 484 L CB 1.756 43.745 42.059 -0.117 0.000 1.259 484 L HN 0.457 nan 8.230 nan 0.000 0.418 485 D N 3.014 123.339 120.400 -0.124 0.000 2.936 485 D HA 0.188 4.828 4.640 -0.000 0.000 0.238 485 D C -0.238 175.955 176.300 -0.179 0.000 1.248 485 D CA -0.274 53.650 54.000 -0.128 0.000 0.903 485 D CB 1.279 42.016 40.800 -0.106 0.000 1.544 485 D HN 0.572 nan 8.370 nan 0.000 0.543 486 N N 3.267 121.854 118.700 -0.188 0.000 2.681 486 N HA -0.171 4.569 4.740 -0.000 0.000 0.259 486 N C -1.114 174.177 175.510 -0.365 0.000 1.066 486 N CA 0.153 53.053 53.050 -0.250 0.000 0.717 486 N CB -0.618 37.737 38.487 -0.220 0.000 0.885 486 N HN 0.449 nan 8.380 nan 0.000 0.547 487 I N 1.727 122.038 120.570 -0.431 0.000 2.362 487 I HA 0.235 4.405 4.170 -0.000 0.000 0.289 487 I C -0.123 175.492 176.117 -0.836 0.000 0.994 487 I CA -0.520 60.354 61.300 -0.710 0.000 1.158 487 I CB 1.806 39.405 38.000 -0.668 0.000 1.315 487 I HN 0.114 nan 8.210 nan 0.000 0.451 488 S N 7.162 122.374 115.700 -0.814 0.000 2.478 488 S HA 0.602 5.072 4.470 -0.000 0.000 0.312 488 S C -0.335 173.885 174.600 -0.634 0.000 1.094 488 S CA -0.534 57.272 58.200 -0.656 0.000 1.081 488 S CB 1.709 64.649 63.200 -0.433 0.000 1.007 488 S HN 0.370 nan 8.310 nan 0.000 0.475 489 I N 3.379 123.621 120.570 -0.547 0.000 2.330 489 I HA 0.348 4.517 4.170 -0.000 0.000 0.289 489 I C -0.290 175.720 176.117 -0.179 0.000 1.001 489 I CA -0.343 60.734 61.300 -0.373 0.000 1.193 489 I CB 1.077 38.840 38.000 -0.394 0.000 1.345 489 I HN 0.366 nan 8.210 nan 0.000 0.461 490 K N 6.246 126.603 120.400 -0.072 0.000 2.535 490 K HA 0.391 4.711 4.320 -0.000 0.000 0.253 490 K C -1.179 175.477 176.600 0.094 0.000 0.953 490 K CA -0.890 55.399 56.287 0.003 0.000 0.863 490 K CB 1.253 33.739 32.500 -0.022 0.000 1.111 490 K HN 0.518 nan 8.250 nan 0.000 0.431 491 N N 1.001 119.776 118.700 0.125 0.000 2.372 491 N HA -0.152 4.588 4.740 -0.000 0.000 0.282 491 N C -1.483 174.166 175.510 0.231 0.000 1.425 491 N CA 0.320 53.470 53.050 0.167 0.000 0.663 491 N CB -0.473 38.096 38.487 0.137 0.000 0.903 491 N HN 0.386 nan 8.380 nan 0.000 0.495 492 V N 1.527 121.603 119.914 0.269 0.000 2.612 492 V HA 0.753 4.873 4.120 -0.000 0.000 0.301 492 V C -0.526 175.776 176.094 0.345 0.000 1.059 492 V CA -0.168 62.315 62.300 0.305 0.000 0.886 492 V CB 1.875 33.848 31.823 0.249 0.000 1.007 492 V HN 0.673 nan 8.190 nan 0.000 0.426 493 S N 7.451 123.294 115.700 0.238 0.000 2.478 493 S HA 0.760 5.230 4.470 -0.000 0.000 0.312 493 S C -0.743 173.923 174.600 0.110 0.000 1.094 493 S CA -0.684 57.619 58.200 0.171 0.000 1.081 493 S CB 1.450 64.703 63.200 0.089 0.000 1.007 493 S HN 0.667 nan 8.310 nan 0.000 0.475 494 I N 2.903 123.516 120.570 0.072 0.000 2.355 494 I HA 0.285 4.455 4.170 -0.000 0.000 0.288 494 I C 1.399 177.430 176.117 -0.143 0.000 0.999 494 I CA -0.547 60.717 61.300 -0.061 0.000 1.163 494 I CB 1.760 39.658 38.000 -0.170 0.000 1.316 494 I HN 0.920 nan 8.210 nan 0.000 0.454 495 E N 4.805 124.935 120.200 -0.116 0.000 2.031 495 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 495 E C 0.410 176.926 176.600 -0.139 0.000 0.994 495 E CA 1.199 57.536 56.400 -0.106 0.000 0.800 495 E CB 0.368 30.020 29.700 -0.080 0.000 0.752 495 E HN 0.707 nan 8.360 nan 0.000 0.447 496 S N -1.971 113.635 115.700 -0.158 0.000 2.596 496 S HA 0.438 4.908 4.470 -0.000 0.000 0.270 496 S C -0.847 173.670 174.600 -0.139 0.000 1.155 496 S CA -1.071 57.043 58.200 -0.142 0.000 0.827 496 S CB 0.676 63.858 63.200 -0.030 0.000 1.130 496 S HN 0.143 nan 8.310 nan 0.000 0.467 497 F N 1.330 121.306 119.950 0.044 0.000 2.399 497 F HA 0.472 4.999 4.527 -0.000 0.000 0.328 497 F C 1.219 177.050 175.800 0.051 0.000 1.084 497 F CA -0.760 57.270 58.000 0.050 0.000 1.053 497 F CB 1.206 40.233 39.000 0.046 0.000 1.209 497 F HN 0.672 nan 8.300 nan 0.000 0.502 498 E N 2.847 123.237 120.200 0.317 0.000 2.391 498 E HA 0.105 4.455 4.350 -0.000 0.000 0.255 498 E C -2.213 174.477 176.600 0.149 0.000 1.187 498 E CA -1.638 54.879 56.400 0.194 0.000 0.941 498 E CB 0.024 29.838 29.700 0.188 0.000 1.010 498 E HN 0.212 nan 8.360 nan 0.000 0.458 499 P HA -0.106 nan 4.420 nan 0.000 0.265 499 P C 0.333 177.665 177.300 0.053 0.000 1.193 499 P CA 0.198 63.346 63.100 0.080 0.000 0.765 499 P CB 0.669 32.414 31.700 0.074 0.000 0.823 500 L N 4.245 125.487 121.223 0.031 0.000 2.265 500 L HA -0.164 4.176 4.340 -0.000 0.000 0.215 500 L C 2.385 179.262 176.870 0.011 0.000 1.117 500 L CA 2.224 57.063 54.840 -0.002 0.000 0.782 500 L CB -1.201 40.852 42.059 -0.010 0.000 0.914 500 L HN 0.452 nan 8.230 nan 0.000 0.441 501 S N -0.471 115.246 115.700 0.027 0.000 2.447 501 S HA -0.144 4.326 4.470 -0.000 0.000 0.233 501 S C 1.801 176.425 174.600 0.039 0.000 1.006 501 S CA 1.026 59.244 58.200 0.031 0.000 0.957 501 S CB -0.950 62.272 63.200 0.035 0.000 0.773 501 S HN 0.654 nan 8.310 nan 0.000 0.507 502 I N -1.704 118.895 120.570 0.048 0.000 3.793 502 I HA 0.244 4.414 4.170 -0.000 0.000 0.315 502 I C -0.511 175.638 176.117 0.053 0.000 1.275 502 I CA -0.329 61.007 61.300 0.061 0.000 1.214 502 I CB -0.732 37.320 38.000 0.085 0.000 1.018 502 I HN -0.017 nan 8.210 nan 0.000 0.439 503 N N 2.624 121.344 118.700 0.034 0.000 2.714 503 N HA -0.176 4.564 4.740 -0.000 0.000 0.253 503 N C 0.726 176.250 175.510 0.022 0.000 1.024 503 N CA 1.351 54.419 53.050 0.030 0.000 0.726 503 N CB -1.490 37.025 38.487 0.047 0.000 0.908 503 N HN 0.821 nan 8.380 nan 0.000 0.542 504 T N -6.161 108.386 114.554 -0.012 0.000 3.016 504 T HA 0.087 4.437 4.350 -0.000 0.000 0.271 504 T C 1.380 176.008 174.700 -0.120 0.000 0.968 504 T CA 0.637 62.698 62.100 -0.064 0.000 0.891 504 T CB 0.271 69.122 68.868 -0.029 0.000 1.149 504 T HN 0.269 nan 8.240 nan 0.000 0.524 505 T N -0.748 113.722 114.554 -0.139 0.000 3.022 505 T HA 0.296 4.646 4.350 -0.000 0.000 0.250 505 T C 0.398 174.860 174.700 -0.396 0.000 1.060 505 T CA -0.244 61.684 62.100 -0.287 0.000 1.013 505 T CB -0.169 68.432 68.868 -0.445 0.000 0.982 505 T HN 0.408 nan 8.240 nan 0.000 0.508 506 E N 2.405 122.456 120.200 -0.248 0.000 2.223 506 E HA 0.399 4.749 4.350 -0.000 0.000 0.282 506 E C -0.590 175.861 176.600 -0.248 0.000 1.046 506 E CA -0.351 55.930 56.400 -0.198 0.000 0.857 506 E CB 0.905 30.579 29.700 -0.045 0.000 1.055 506 E HN 0.229 nan 8.360 nan 0.000 0.409 507 S N 4.225 119.702 115.700 -0.371 0.000 2.565 507 S HA 0.415 4.885 4.470 -0.000 0.000 0.274 507 S C -0.526 173.841 174.600 -0.389 0.000 1.309 507 S CA -0.669 57.105 58.200 -0.710 0.000 1.043 507 S CB 0.421 62.859 63.200 -1.269 0.000 0.939 507 S HN 0.489 nan 8.310 nan 0.000 0.504 508 W N 1.222 122.364 121.300 -0.263 0.000 3.074 508 W HA 0.672 5.332 4.660 -0.000 0.000 0.332 508 W C -1.562 175.094 176.519 0.229 0.000 1.253 508 W CA -1.092 56.264 57.345 0.018 0.000 1.180 508 W CB 1.613 31.075 29.460 0.004 0.000 1.445 508 W HN 0.553 nan 8.180 nan 0.000 0.573 509 M N 4.318 124.332 119.600 0.689 0.000 2.291 509 M HA 0.185 4.665 4.480 -0.000 0.000 0.202 509 M C -2.902 173.636 176.300 0.397 0.000 0.985 509 M CA -1.310 54.298 55.300 0.514 0.000 0.993 509 M CB 1.785 34.556 32.600 0.286 0.000 2.723 509 M HN 0.040 nan 8.290 nan 0.000 0.402 510 P HA 0.095 nan 4.420 nan 0.000 0.274 510 P C -0.421 176.977 177.300 0.163 0.000 1.231 510 P CA -0.204 62.939 63.100 0.072 0.000 0.790 510 P CB 1.570 33.148 31.700 -0.203 0.000 0.951 511 V N 3.367 123.223 119.914 -0.097 0.000 2.637 511 V HA 0.152 4.272 4.120 -0.000 0.000 0.296 511 V C -0.733 175.283 176.094 -0.129 0.000 1.046 511 V CA 0.149 62.279 62.300 -0.283 0.000 1.066 511 V CB -0.581 30.916 31.823 -0.542 0.000 0.968 511 V HN 0.476 nan 8.190 nan 0.000 0.483 512 W N 5.060 126.182 121.300 -0.296 0.000 2.736 512 W HA 0.702 5.362 4.660 -0.000 0.000 0.355 512 W C -1.015 175.146 176.519 -0.597 0.000 1.102 512 W CA -0.347 56.831 57.345 -0.277 0.000 1.164 512 W CB 1.666 31.084 29.460 -0.070 0.000 1.422 512 W HN 0.490 nan 8.180 nan 0.000 0.572 513 Y N 0.397 120.845 120.300 0.246 0.000 2.576 513 Y HA 0.191 4.741 4.550 -0.000 0.000 0.346 513 Y C 0.176 176.180 175.900 0.174 0.000 1.018 513 Y CA -1.396 56.793 58.100 0.149 0.000 1.050 513 Y CB 1.193 39.670 38.460 0.028 0.000 1.280 513 Y HN 0.203 nan 8.280 nan 0.000 0.474 514 D N 1.623 122.194 120.400 0.284 0.000 2.424 514 D HA -0.037 4.603 4.640 -0.000 0.000 0.244 514 D C 0.878 177.269 176.300 0.152 0.000 1.134 514 D CA 0.095 54.213 54.000 0.196 0.000 0.881 514 D CB 1.373 42.261 40.800 0.145 0.000 1.191 514 D HN 0.671 nan 8.370 nan 0.000 0.445 515 L N 5.312 126.614 121.223 0.132 0.000 2.079 515 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 515 L C 1.444 178.338 176.870 0.041 0.000 1.081 515 L CA 1.701 56.582 54.840 0.068 0.000 0.752 515 L CB -0.275 41.833 42.059 0.081 0.000 0.896 515 L HN 0.422 nan 8.230 nan 0.000 0.433 516 N N -0.448 118.288 118.700 0.059 0.000 2.499 516 N HA -0.020 4.720 4.740 -0.000 0.000 0.182 516 N C 0.975 176.506 175.510 0.035 0.000 1.034 516 N CA 1.100 54.175 53.050 0.043 0.000 0.882 516 N CB -0.243 38.274 38.487 0.051 0.000 1.125 516 N HN 0.577 nan 8.380 nan 0.000 0.436 517 N N -0.627 118.101 118.700 0.048 0.000 2.184 517 N HA 0.173 4.913 4.740 -0.000 0.000 0.206 517 N C 1.001 176.537 175.510 0.043 0.000 1.151 517 N CA 0.542 53.616 53.050 0.040 0.000 0.878 517 N CB 0.321 38.834 38.487 0.044 0.000 1.014 517 N HN 0.110 nan 8.380 nan 0.000 0.512 518 G N 0.430 109.267 108.800 0.062 0.000 2.168 518 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.263 518 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.263 518 G C -0.063 174.933 174.900 0.160 0.000 0.977 518 G CA 0.537 45.677 45.100 0.068 0.000 0.659 518 G HN 0.684 nan 8.290 nan 0.000 0.533 519 K N 0.617 121.113 120.400 0.159 0.000 2.401 519 K HA 0.299 4.619 4.320 -0.000 0.000 0.278 519 K C 0.738 177.491 176.600 0.254 0.000 1.018 519 K CA -0.286 56.105 56.287 0.173 0.000 0.981 519 K CB 0.290 32.858 32.500 0.114 0.000 0.933 519 K HN 0.370 nan 8.250 nan 0.000 0.477 520 Q N 4.359 124.314 119.800 0.258 0.000 2.313 520 Q HA 0.062 4.402 4.340 -0.000 0.000 0.266 520 Q C -0.214 175.829 176.000 0.070 0.000 0.989 520 Q CA -0.600 55.278 55.803 0.125 0.000 0.890 520 Q CB 0.599 29.405 28.738 0.113 0.000 1.200 520 Q HN 0.476 nan 8.270 nan 0.000 0.396 521 I N 3.836 124.429 120.570 0.038 0.000 2.648 521 I HA 0.013 4.183 4.170 -0.000 0.000 0.284 521 I C 0.869 177.061 176.117 0.124 0.000 1.153 521 I CA 0.420 61.775 61.300 0.091 0.000 1.426 521 I CB 0.247 38.319 38.000 0.120 0.000 1.381 521 I HN 0.693 nan 8.210 nan 0.000 0.571 522 T N 3.628 118.210 114.554 0.047 0.000 2.943 522 T HA 0.717 5.067 4.350 -0.000 0.000 0.284 522 T C -0.339 174.263 174.700 -0.164 0.000 1.015 522 T CA -0.707 61.403 62.100 0.017 0.000 1.042 522 T CB 2.021 70.903 68.868 0.024 0.000 1.055 522 T HN 0.253 nan 8.240 nan 0.000 0.500 523 V N 2.263 122.023 119.914 -0.257 0.000 2.525 523 V HA 0.583 4.703 4.120 -0.000 0.000 0.299 523 V C -0.293 175.715 176.094 -0.142 0.000 1.034 523 V CA -0.646 61.445 62.300 -0.347 0.000 0.863 523 V CB 1.896 33.266 31.823 -0.755 0.000 0.999 523 V HN 1.206 nan 8.190 nan 0.000 0.423 524 T N 2.785 117.287 114.554 -0.086 0.000 2.861 524 T HA 0.427 4.777 4.350 -0.000 0.000 0.287 524 T C -0.675 174.008 174.700 -0.029 0.000 1.003 524 T CA -0.475 61.610 62.100 -0.025 0.000 0.977 524 T CB 1.337 70.183 68.868 -0.037 0.000 0.996 524 T HN 0.733 nan 8.240 nan 0.000 0.448 525 D N 1.394 121.793 120.400 -0.003 0.000 2.803 525 D HA -0.180 4.460 4.640 -0.000 0.000 0.233 525 D C -0.851 175.403 176.300 -0.078 0.000 1.182 525 D CA 0.722 54.653 54.000 -0.115 0.000 0.726 525 D CB -0.829 39.849 40.800 -0.204 0.000 0.987 525 D HN 0.485 nan 8.370 nan 0.000 0.412 526 F N 1.818 121.696 119.950 -0.120 0.000 2.313 526 F HA 0.289 4.816 4.527 -0.000 0.000 0.369 526 F C 0.418 176.111 175.800 -0.179 0.000 1.109 526 F CA -0.656 57.212 58.000 -0.220 0.000 1.132 526 F CB 0.600 39.450 39.000 -0.250 0.000 1.291 526 F HN -0.048 nan 8.300 nan 0.000 0.496 527 S N 6.150 121.572 115.700 -0.463 0.000 2.549 527 S HA 0.784 5.253 4.470 -0.000 0.000 0.297 527 S C -0.710 173.624 174.600 -0.443 0.000 1.115 527 S CA -0.775 57.222 58.200 -0.338 0.000 1.059 527 S CB 1.890 64.941 63.200 -0.249 0.000 1.046 527 S HN 0.524 nan 8.310 nan 0.000 0.506 528 I N 1.451 121.844 120.570 -0.295 0.000 2.447 528 I HA 0.500 4.669 4.170 -0.000 0.000 0.287 528 I C -0.348 175.767 176.117 -0.003 0.000 1.023 528 I CA -0.242 60.949 61.300 -0.182 0.000 1.083 528 I CB 1.800 39.707 38.000 -0.156 0.000 1.245 528 I HN 0.826 nan 8.210 nan 0.000 0.434 529 E N 4.396 124.614 120.200 0.029 0.000 2.314 529 E HA 0.518 4.868 4.350 -0.000 0.000 0.272 529 E C 0.322 177.002 176.600 0.134 0.000 0.884 529 E CA -0.447 56.005 56.400 0.086 0.000 0.753 529 E CB 2.095 31.809 29.700 0.022 0.000 1.213 529 E HN 0.793 nan 8.360 nan 0.000 0.432 530 G N 3.284 112.177 108.800 0.156 0.000 2.221 530 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.265 530 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.265 530 G C -0.514 174.541 174.900 0.259 0.000 1.041 530 G CA 0.490 45.688 45.100 0.162 0.000 0.807 530 G HN 0.356 nan 8.290 nan 0.000 0.502 531 F N 2.815 122.834 119.950 0.115 0.000 2.411 531 F HA 0.674 5.200 4.527 -0.000 0.000 0.350 531 F C 0.614 176.478 175.800 0.107 0.000 1.114 531 F CA -0.796 57.285 58.000 0.135 0.000 1.135 531 F CB 1.141 40.258 39.000 0.194 0.000 1.120 531 F HN 0.395 nan 8.300 nan 0.000 0.495 532 T N 3.377 117.959 114.554 0.048 0.000 2.900 532 T HA 0.741 5.091 4.350 -0.000 0.000 0.295 532 T C -1.360 173.170 174.700 -0.282 0.000 1.044 532 T CA -0.848 61.127 62.100 -0.208 0.000 0.995 532 T CB 1.494 70.334 68.868 -0.045 0.000 1.072 532 T HN 0.392 nan 8.240 nan 0.000 0.473 533 V N 3.023 122.732 119.914 -0.342 0.000 2.376 533 V HA 0.700 4.819 4.120 -0.000 0.000 0.287 533 V C 1.272 177.254 176.094 -0.186 0.000 1.015 533 V CA 0.511 62.630 62.300 -0.301 0.000 0.834 533 V CB 0.328 31.957 31.823 -0.323 0.000 1.001 533 V HN 1.565 nan 8.190 nan 0.000 0.428 534 G N 5.320 114.028 108.800 -0.153 0.000 2.596 534 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.304 534 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.304 534 G C 0.406 175.261 174.900 -0.074 0.000 1.189 534 G CA 0.545 45.587 45.100 -0.097 0.000 0.986 534 G HN 1.115 nan 8.290 nan 0.000 0.548 535 N N 1.773 120.437 118.700 -0.059 0.000 2.635 535 N HA 0.369 5.108 4.740 -0.000 0.000 0.307 535 N C -0.007 175.474 175.510 -0.049 0.000 1.433 535 N CA 0.915 53.938 53.050 -0.045 0.000 0.973 535 N CB 0.416 38.885 38.487 -0.031 0.000 1.304 535 N HN 1.315 nan 8.380 nan 0.000 0.507 536 T N -3.053 111.458 114.554 -0.072 0.000 3.071 536 T HA 0.287 4.637 4.350 -0.000 0.000 0.311 536 T C -0.489 174.146 174.700 -0.109 0.000 1.042 536 T CA -0.472 61.583 62.100 -0.076 0.000 1.028 536 T CB 1.301 70.125 68.868 -0.073 0.000 1.068 536 T HN -0.018 nan 8.240 nan 0.000 0.451 537 T N 4.693 119.203 114.554 -0.073 0.000 2.901 537 T HA 0.383 4.732 4.350 -0.000 0.000 0.301 537 T C 0.434 175.077 174.700 -0.095 0.000 1.012 537 T CA -0.493 61.567 62.100 -0.066 0.000 1.135 537 T CB 0.024 68.886 68.868 -0.009 0.000 0.936 537 T HN 0.527 nan 8.240 nan 0.000 0.539 538 I N 4.352 124.841 120.570 -0.135 0.000 2.353 538 I HA 0.365 4.534 4.170 -0.000 0.000 0.293 538 I C 1.105 177.257 176.117 0.058 0.000 0.992 538 I CA -0.386 60.846 61.300 -0.113 0.000 1.268 538 I CB 0.747 38.559 38.000 -0.313 0.000 1.387 538 I HN 0.783 nan 8.210 nan 0.000 0.478 539 T N 1.548 116.092 114.554 -0.016 0.000 2.742 539 T HA 0.638 4.987 4.350 -0.000 0.000 0.282 539 T C 0.973 175.472 174.700 -0.336 0.000 1.025 539 T CA -0.146 61.935 62.100 -0.031 0.000 1.020 539 T CB 1.583 70.446 68.868 -0.008 0.000 1.317 539 T HN 0.450 nan 8.240 nan 0.000 0.538 540 A N 0.697 123.301 122.820 -0.361 0.000 2.019 540 A HA 0.008 4.328 4.320 -0.000 0.000 0.219 540 A C 2.498 179.915 177.584 -0.277 0.000 1.164 540 A CA 2.257 53.982 52.037 -0.521 0.000 0.644 540 A CB -1.508 17.398 19.000 -0.156 0.000 0.805 540 A HN 1.179 nan 8.150 nan 0.000 0.449 541 S N 1.135 116.742 115.700 -0.155 0.000 2.368 541 S HA -0.182 4.288 4.470 -0.000 0.000 0.224 541 S C 1.219 175.766 174.600 -0.087 0.000 1.029 541 S CA 1.144 59.290 58.200 -0.090 0.000 0.988 541 S CB -0.789 62.381 63.200 -0.051 0.000 0.838 541 S HN 0.904 nan 8.310 nan 0.000 0.462 542 N N 0.226 118.866 118.700 -0.100 0.000 2.235 542 N HA 0.487 5.227 4.740 -0.000 0.000 0.231 542 N C 1.432 176.905 175.510 -0.061 0.000 1.177 542 N CA 0.284 53.294 53.050 -0.066 0.000 0.874 542 N CB 0.437 38.895 38.487 -0.049 0.000 1.097 542 N HN 0.396 nan 8.380 nan 0.000 0.518 543 A N 1.149 123.891 122.820 -0.130 0.000 1.917 543 A HA -0.101 4.218 4.320 -0.000 0.000 0.219 543 A C 2.417 180.042 177.584 0.067 0.000 1.182 543 A CA 2.061 54.065 52.037 -0.055 0.000 0.633 543 A CB -0.661 18.165 19.000 -0.292 0.000 0.819 543 A HN 0.524 nan 8.150 nan 0.000 0.448 544 A N -0.442 122.392 122.820 0.024 0.000 1.901 544 A HA 0.111 4.431 4.320 -0.000 0.000 0.210 544 A C 2.452 180.050 177.584 0.024 0.000 1.208 544 A CA 1.629 53.688 52.037 0.037 0.000 0.644 544 A CB -0.880 18.137 19.000 0.029 0.000 0.863 544 A HN 0.947 nan 8.150 nan 0.000 0.454 545 S N -0.396 115.310 115.700 0.011 0.000 2.383 545 S HA -0.114 4.356 4.470 -0.000 0.000 0.229 545 S C 1.486 176.102 174.600 0.028 0.000 1.030 545 S CA 1.879 60.086 58.200 0.011 0.000 1.002 545 S CB -0.452 62.748 63.200 0.000 0.000 0.829 545 S HN 0.305 nan 8.310 nan 0.000 0.467 546 V N 0.436 120.372 119.914 0.037 0.000 3.219 546 V HA 0.369 4.489 4.120 -0.000 0.000 0.240 546 V C 2.465 178.658 176.094 0.165 0.000 1.222 546 V CA 0.666 63.008 62.300 0.069 0.000 1.181 546 V CB -0.557 31.271 31.823 0.008 0.000 0.941 546 V HN 0.557 nan 8.190 nan 0.000 0.471 547 G N -0.135 108.752 108.800 0.145 0.000 2.813 547 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.209 547 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.209 547 G C 0.911 176.008 174.900 0.327 0.000 1.150 547 G CA 0.102 45.396 45.100 0.324 0.000 0.785 547 G HN 0.442 nan 8.290 nan 0.000 0.535 548 R N -1.162 119.396 120.500 0.096 0.000 3.758 548 R HA -0.162 4.178 4.340 -0.000 0.000 0.299 548 R C -0.319 175.944 176.300 -0.062 0.000 1.182 548 R CA 0.588 56.634 56.100 -0.090 0.000 0.809 548 R CB -2.217 27.814 30.300 -0.448 0.000 1.249 548 R HN 0.415 nan 8.270 nan 0.000 0.497 549 I N 1.948 122.553 120.570 0.058 0.000 2.241 549 I HA 0.048 4.217 4.170 -0.000 0.000 0.294 549 I C 0.543 176.712 176.117 0.088 0.000 1.145 549 I CA 0.034 61.363 61.300 0.048 0.000 1.261 549 I CB 0.444 38.596 38.000 0.254 0.000 1.475 549 I HN 0.125 nan 8.210 nan 0.000 0.533 550 D N 2.127 122.556 120.400 0.047 0.000 2.540 550 D HA 0.106 4.746 4.640 -0.000 0.000 0.229 550 D C 1.199 177.560 176.300 0.101 0.000 1.250 550 D CA -0.185 53.859 54.000 0.072 0.000 0.817 550 D CB 0.556 41.378 40.800 0.038 0.000 1.060 550 D HN 0.381 nan 8.370 nan 0.000 0.508 551 G N 0.104 108.990 108.800 0.144 0.000 3.453 551 G HA2 0.263 4.222 3.960 -0.000 0.000 0.263 551 G HA3 0.263 4.222 3.960 -0.000 0.000 0.263 551 G C 0.069 175.126 174.900 0.263 0.000 1.060 551 G CA -0.240 44.990 45.100 0.215 0.000 0.793 551 G HN 0.160 nan 8.290 nan 0.000 0.532 552 V N 1.458 121.529 119.914 0.263 0.000 2.479 552 V HA 0.058 4.178 4.120 -0.000 0.000 0.281 552 V C 0.427 176.633 176.094 0.186 0.000 1.031 552 V CA -0.646 61.826 62.300 0.287 0.000 1.038 552 V CB 0.911 32.914 31.823 0.300 0.000 0.981 552 V HN 0.369 nan 8.190 nan 0.000 0.478 553 D N 7.600 128.094 120.400 0.157 0.000 2.472 553 D HA 0.042 4.681 4.640 -0.000 0.000 0.237 553 D C -0.963 175.329 176.300 -0.012 0.000 1.141 553 D CA -0.817 53.184 54.000 0.002 0.000 0.875 553 D CB 1.071 41.751 40.800 -0.200 0.000 1.192 553 D HN 0.333 nan 8.370 nan 0.000 0.450 554 P HA -0.197 nan 4.420 nan 0.000 0.219 554 P C 0.638 177.918 177.300 -0.034 0.000 1.146 554 P CA 1.017 64.111 63.100 -0.010 0.000 0.808 554 P CB 0.042 31.734 31.700 -0.014 0.000 0.779 555 A N -1.569 121.166 122.820 -0.141 0.000 2.168 555 A HA -0.075 4.244 4.320 -0.000 0.000 0.215 555 A C 1.705 179.263 177.584 -0.044 0.000 1.152 555 A CA 0.723 52.657 52.037 -0.171 0.000 0.716 555 A CB -1.252 17.539 19.000 -0.347 0.000 0.794 555 A HN 0.275 nan 8.150 nan 0.000 0.465 556 Y N -2.254 118.050 120.300 0.007 0.000 2.430 556 Y HA 0.271 4.821 4.550 -0.000 0.000 0.248 556 Y C 2.492 178.392 175.900 -0.001 0.000 1.108 556 Y CA -0.099 57.995 58.100 -0.009 0.000 1.264 556 Y CB 0.243 38.683 38.460 -0.033 0.000 1.172 556 Y HN 0.300 nan 8.280 nan 0.000 0.520 557 A N 0.796 123.710 122.820 0.157 0.000 1.958 557 A HA -0.244 4.076 4.320 -0.000 0.000 0.221 557 A C 2.337 179.957 177.584 0.060 0.000 1.178 557 A CA 2.169 54.275 52.037 0.115 0.000 0.642 557 A CB -1.260 17.793 19.000 0.088 0.000 0.816 557 A HN 0.480 nan 8.150 nan 0.000 0.453 558 G N -1.905 106.921 108.800 0.042 0.000 2.920 558 G HA2 0.166 4.125 3.960 -0.000 0.000 0.208 558 G HA3 0.166 4.125 3.960 -0.000 0.000 0.208 558 G C 1.321 176.168 174.900 -0.089 0.000 1.159 558 G CA 0.937 46.021 45.100 -0.026 0.000 0.784 558 G HN 0.494 nan 8.290 nan 0.000 0.535 559 S N -0.538 115.162 115.700 -0.001 0.000 2.524 559 S HA 0.166 4.636 4.470 -0.000 0.000 0.216 559 S C 0.635 175.283 174.600 0.081 0.000 0.987 559 S CA -0.202 58.041 58.200 0.072 0.000 0.909 559 S CB 0.699 63.929 63.200 0.050 0.000 0.781 559 S HN 0.059 nan 8.310 nan 0.000 0.521 560 V N 3.574 123.466 119.914 -0.038 0.000 2.364 560 V HA 0.329 4.449 4.120 -0.000 0.000 0.272 560 V C -0.846 175.150 176.094 -0.163 0.000 1.036 560 V CA -0.559 61.759 62.300 0.030 0.000 0.880 560 V CB 0.384 32.245 31.823 0.064 0.000 0.991 560 V HN 0.346 nan 8.190 nan 0.000 0.460 561 H N 3.850 122.872 119.070 -0.080 0.000 2.481 561 H HA 0.512 5.068 4.556 -0.000 0.000 0.333 561 H C -1.091 174.135 175.328 -0.170 0.000 1.066 561 H CA -0.608 55.410 56.048 -0.050 0.000 1.209 561 H CB 0.742 30.488 29.762 -0.027 0.000 1.445 561 H HN 0.559 nan 8.280 nan 0.000 0.488 562 Y N 3.125 123.521 120.300 0.159 0.000 2.425 562 Y HA 0.151 4.701 4.550 -0.000 0.000 0.347 562 Y C 0.059 176.024 175.900 0.109 0.000 0.976 562 Y CA -0.690 57.492 58.100 0.137 0.000 1.190 562 Y CB 0.432 38.972 38.460 0.134 0.000 1.136 562 Y HN 0.497 nan 8.280 nan 0.000 0.517 563 I N 5.404 126.069 120.570 0.159 0.000 2.347 563 I HA 0.134 4.304 4.170 -0.000 0.000 0.294 563 I C 0.003 176.190 176.117 0.117 0.000 1.090 563 I CA -0.085 61.279 61.300 0.106 0.000 1.314 563 I CB -0.291 37.731 38.000 0.036 0.000 1.423 563 I HN 0.631 nan 8.210 nan 0.000 0.503 564 D N 0.000 120.464 120.400 0.107 0.000 6.856 564 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 564 D CA 0.000 54.053 54.000 0.088 0.000 0.868 564 D CB 0.000 40.858 40.800 0.097 0.000 0.688 564 D HN 0.000 nan 8.370 nan 0.000 0.683