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 3l5h_1_A DATA FIRST_RESID 2 DATA SEQUENCE LLDPcGYISP ESPVVQLHSN FTAVcXLKEK cMDYFHVNAN YIVWKTNHFT DATA SEQUENCE IPKEQYTIIN RTASSVTFTD IASLNIQLTc NXLTFGQLXQ NVYGITIISX DATA SEQUENCE LPPEKPKNLS cIVNEGKKMR cEWDGGRETH LETNFTLKSE WATHKFADcK DATA SEQUENCE AKRDTPTScT VDYSTVYFVN IEVWVEAENA LGKVTSDHIN FDPVYKVKPN DATA SEQUENCE PPHNLSVINS EELSSILKLT WTNPSIKSVI ILKYNIQYRT KDASTWSQIP DATA SEQUENCE PEDTASTRSS FTVQDLKPFT EYVFRIRCMK EDGKGYWSDW SEEASGITYE DATA SEQUENCE DRPSKAPSFW YKIDPSHTQG YRTVQLVWKT LPPFEANGKI LDYEVTLTRW DATA SEQUENCE KSHLQNYTVN ATKLTVNLTN DRYLATLTVR NLVGKSDAAV LTIPACDFQA DATA SEQUENCE THPVMDLKAF PKDNMLWVEW TTPRESVKKY ILEWcVLSDK APcITDWQQE DATA SEQUENCE DGTVHRTYLR GNLAESKCYL ITVTPVYADG PGSPESIKAY LKQAPPSKGP DATA SEQUENCE TVRTKKVGKN EAVLEWDQLP VDVQNGFIRN YTIFYRTIIG NETAVNVDSS DATA SEQUENCE HTEYTLSSLT SDTLYMVRMA AYTDEGGKDG PEFTFTTPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.866 176.870 -0.006 0.000 1.165 2 L CA 0.000 54.835 54.840 -0.009 0.000 0.813 2 L CB 0.000 42.053 42.059 -0.010 0.000 0.961 3 L N 0.510 121.728 121.223 -0.008 0.000 2.777 3 L HA 0.752 5.082 4.340 -0.017 0.000 0.241 3 L C -0.552 176.312 176.870 -0.009 0.000 1.854 3 L CA -0.223 54.614 54.840 -0.005 0.000 2.070 3 L CB -0.459 41.599 42.059 -0.001 0.000 2.441 3 L HN 0.738 nan 8.230 nan 0.000 0.587 4 D N 0.028 120.425 120.400 -0.006 0.000 2.348 4 D HA 0.489 5.118 4.640 -0.017 0.000 0.249 4 D C -2.313 173.973 176.300 -0.023 0.000 1.110 4 D CA -1.098 52.898 54.000 -0.007 0.000 0.967 4 D CB 0.827 41.628 40.800 0.003 0.000 1.139 4 D HN 0.499 nan 8.370 nan 0.000 0.466 5 P HA 0.187 nan 4.420 nan 0.000 0.190 5 P C 0.724 178.007 177.300 -0.028 0.000 1.887 5 P CA -0.611 62.455 63.100 -0.057 0.000 1.194 5 P CB 0.296 31.944 31.700 -0.087 0.000 1.732 6 c N 2.001 120.577 118.600 -0.041 0.000 3.794 6 c HA -0.224 4.336 4.570 -0.017 0.000 0.257 6 c C 1.168 175.244 174.090 -0.024 0.000 1.706 6 c CA 2.402 58.699 56.329 -0.053 0.000 2.029 6 c CB -1.256 41.176 42.510 -0.131 0.000 2.526 6 c HN 0.692 nan 8.230 nan 0.000 0.343 7 G N -2.359 106.446 108.800 0.009 0.000 2.753 7 G HA2 0.746 4.696 3.960 -0.017 0.000 0.297 7 G HA3 0.746 4.696 3.960 -0.017 0.000 0.297 7 G C -1.101 173.907 174.900 0.180 0.000 1.430 7 G CA 0.451 45.577 45.100 0.043 0.000 1.040 7 G HN 1.584 nan 8.290 nan 0.000 0.530 8 Y N 0.833 121.198 120.300 0.107 0.000 2.567 8 Y HA 0.814 5.354 4.550 -0.017 0.000 0.333 8 Y C 0.585 176.371 175.900 -0.191 0.000 1.106 8 Y CA -0.906 57.170 58.100 -0.040 0.000 1.157 8 Y CB 1.094 39.551 38.460 -0.006 0.000 1.277 8 Y HN 0.684 nan 8.280 nan 0.000 0.490 9 I N 0.357 120.684 120.570 -0.405 0.000 5.826 9 I HA 0.577 4.737 4.170 -0.017 0.000 0.231 9 I C 0.558 176.588 176.117 -0.144 0.000 0.892 9 I CA 0.140 61.344 61.300 -0.160 0.000 1.799 9 I CB 0.855 38.794 38.000 -0.101 0.000 1.433 9 I HN 0.579 nan 8.210 nan 0.000 0.466 10 S N 1.213 116.812 115.700 -0.169 0.000 2.322 10 S HA 0.278 4.738 4.470 -0.017 0.000 0.321 10 S C -2.833 171.700 174.600 -0.113 0.000 0.712 10 S CA -0.976 57.150 58.200 -0.122 0.000 0.793 10 S CB 0.011 63.159 63.200 -0.086 0.000 1.162 10 S HN 0.260 nan 8.310 nan 0.000 0.475 11 P HA 0.683 nan 4.420 nan 0.000 0.338 11 P C 1.286 178.517 177.300 -0.115 0.000 1.273 11 P CA 0.459 63.499 63.100 -0.101 0.000 0.778 11 P CB 0.065 31.735 31.700 -0.050 0.000 1.452 12 E N -0.631 119.531 120.200 -0.063 0.000 2.208 12 E HA -0.118 4.222 4.350 -0.017 0.000 0.202 12 E C 0.831 177.447 176.600 0.027 0.000 1.014 12 E CA 1.849 58.268 56.400 0.031 0.000 0.819 12 E CB -0.740 29.039 29.700 0.132 0.000 0.735 12 E HN 0.363 nan 8.360 nan 0.000 0.469 13 S N -1.252 114.449 115.700 0.001 0.000 2.588 13 S HA 0.627 5.087 4.470 -0.017 0.000 0.275 13 S C -2.321 172.266 174.600 -0.021 0.000 1.130 13 S CA -0.581 57.619 58.200 -0.000 0.000 0.855 13 S CB 2.658 65.867 63.200 0.015 0.000 1.116 13 S HN 0.297 nan 8.310 nan 0.000 0.472 14 P HA 0.666 nan 4.420 nan 0.000 0.278 14 P C -1.227 176.060 177.300 -0.021 0.000 1.298 14 P CA 0.339 63.418 63.100 -0.035 0.000 0.781 14 P CB 0.335 32.010 31.700 -0.042 0.000 2.022 15 V N -3.954 115.952 119.914 -0.014 0.000 5.303 15 V HA 0.050 4.159 4.120 -0.017 0.000 0.234 15 V C -1.006 175.092 176.094 0.006 0.000 1.126 15 V CA -0.856 61.444 62.300 -0.000 0.000 1.393 15 V CB -1.382 30.439 31.823 -0.003 0.000 0.498 15 V HN 0.091 nan 8.190 nan 0.000 0.457 16 V N 3.953 123.881 119.914 0.023 0.000 2.370 16 V HA 0.580 4.689 4.120 -0.017 0.000 0.257 16 V C 1.319 177.443 176.094 0.050 0.000 1.064 16 V CA 1.307 63.629 62.300 0.037 0.000 0.975 16 V CB 1.347 33.202 31.823 0.052 0.000 1.067 16 V HN 1.378 nan 8.190 nan 0.000 0.485 17 Q N 5.668 125.496 119.800 0.047 0.000 2.664 17 Q HA 0.288 4.618 4.340 -0.017 0.000 0.223 17 Q C 0.768 176.828 176.000 0.099 0.000 1.298 17 Q CA -0.414 55.425 55.803 0.060 0.000 0.965 17 Q CB -0.160 28.605 28.738 0.044 0.000 1.510 17 Q HN 0.751 nan 8.270 nan 0.000 0.567 18 L N 1.389 122.685 121.223 0.122 0.000 3.113 18 L HA -0.132 4.198 4.340 -0.017 0.000 0.250 18 L C -0.291 176.835 176.870 0.426 0.000 1.231 18 L CA 1.431 56.393 54.840 0.203 0.000 0.836 18 L CB -1.149 41.024 42.059 0.190 0.000 1.065 18 L HN 0.822 nan 8.230 nan 0.000 0.473 19 H N -1.376 117.710 119.070 0.027 0.000 3.006 19 H HA 0.694 5.241 4.556 -0.015 0.000 0.304 19 H C 0.102 175.444 175.328 0.022 0.000 1.403 19 H CA 0.134 56.197 56.048 0.024 0.000 1.615 19 H CB 0.540 30.313 29.762 0.018 0.000 1.935 19 H HN 0.108 nan 8.280 nan 0.000 0.626 20 S N 1.242 116.964 115.700 0.037 0.000 2.660 20 S HA 0.495 4.955 4.470 -0.017 0.000 0.264 20 S C -1.252 173.358 174.600 0.017 0.000 1.131 20 S CA -1.143 57.073 58.200 0.026 0.000 0.846 20 S CB 0.785 64.003 63.200 0.030 0.000 1.151 20 S HN 0.359 nan 8.310 nan 0.000 0.486 21 N N -0.344 118.360 118.700 0.006 0.000 2.408 21 N HA 0.671 5.401 4.740 -0.017 0.000 0.280 21 N C -0.537 174.922 175.510 -0.084 0.000 1.002 21 N CA -0.255 52.798 53.050 0.005 0.000 0.907 21 N CB 0.765 39.256 38.487 0.007 0.000 1.161 21 N HN 0.981 nan 8.380 nan 0.000 0.488 22 F N -0.635 119.191 119.950 -0.206 0.000 2.396 22 F HA 0.481 4.998 4.527 -0.017 0.000 0.343 22 F C 1.223 176.766 175.800 -0.428 0.000 1.104 22 F CA -1.026 56.717 58.000 -0.428 0.000 1.161 22 F CB 1.131 39.655 39.000 -0.794 0.000 1.146 22 F HN 0.648 nan 8.300 nan 0.000 0.522 23 T N 3.356 117.726 114.554 -0.308 0.000 3.206 23 T HA 0.448 4.788 4.350 -0.017 0.000 0.253 23 T C 1.156 175.705 174.700 -0.251 0.000 1.042 23 T CA 0.665 62.630 62.100 -0.225 0.000 0.931 23 T CB -1.133 67.654 68.868 -0.135 0.000 1.029 23 T HN 1.296 nan 8.240 nan 0.000 0.564 24 A N 1.420 124.003 122.820 -0.394 0.000 2.632 24 A HA 0.275 4.585 4.320 -0.017 0.000 0.231 24 A C 0.192 177.651 177.584 -0.209 0.000 1.027 24 A CA 0.358 52.168 52.037 -0.377 0.000 0.759 24 A CB -0.047 18.552 19.000 -0.669 0.000 0.939 24 A HN 0.379 nan 8.150 nan 0.000 0.505 25 V N 1.738 121.634 119.914 -0.031 0.000 2.888 25 V HA 0.532 4.642 4.120 -0.017 0.000 0.309 25 V C 0.190 176.427 176.094 0.238 0.000 1.114 25 V CA -1.009 61.369 62.300 0.130 0.000 0.940 25 V CB 1.033 32.886 31.823 0.050 0.000 1.021 25 V HN 1.240 nan 8.190 nan 0.000 0.426 29 K N 0.163 120.552 120.400 -0.019 0.000 2.234 29 K HA 0.647 4.957 4.320 -0.017 0.000 0.251 29 K C 1.548 178.151 176.600 0.004 0.000 1.011 29 K CA 1.392 57.678 56.287 -0.002 0.000 0.889 29 K CB -0.259 32.245 32.500 0.006 0.000 1.011 29 K HN 2.242 nan 8.250 nan 0.000 0.505 30 E N -0.186 120.020 120.200 0.010 0.000 2.187 30 E HA -0.173 4.166 4.350 -0.017 0.000 0.199 30 E C 2.236 178.850 176.600 0.023 0.000 1.004 30 E CA 3.012 59.421 56.400 0.015 0.000 0.813 30 E CB -0.940 28.768 29.700 0.014 0.000 0.736 30 E HN 0.929 nan 8.360 nan 0.000 0.468 31 K N -0.915 119.502 120.400 0.029 0.000 2.399 31 K HA 0.303 4.612 4.320 -0.017 0.000 0.196 31 K C 2.259 178.903 176.600 0.073 0.000 1.117 31 K CA 0.808 57.121 56.287 0.043 0.000 0.965 31 K CB -1.139 31.383 32.500 0.036 0.000 0.983 31 K HN 0.708 nan 8.250 nan 0.000 0.531 32 c N 0.696 119.334 118.600 0.063 0.000 2.419 32 c HA 0.087 4.646 4.570 -0.017 0.000 0.283 32 c C 2.409 176.561 174.090 0.103 0.000 1.373 32 c CA 1.420 57.803 56.329 0.090 0.000 1.781 32 c CB -0.864 41.640 42.510 -0.011 0.000 1.886 32 c HN 0.713 nan 8.230 nan 0.000 0.520 33 M N -0.177 119.459 119.600 0.061 0.000 2.541 33 M HA 0.057 4.526 4.480 -0.017 0.000 0.252 33 M C 1.178 177.540 176.300 0.102 0.000 1.125 33 M CA 1.385 56.726 55.300 0.068 0.000 1.091 33 M CB -0.473 32.144 32.600 0.029 0.000 1.420 33 M HN 0.237 nan 8.290 nan 0.000 0.486 34 D N 0.551 121.010 120.400 0.098 0.000 2.146 34 D HA -0.060 4.570 4.640 -0.017 0.000 0.209 34 D C 1.866 178.214 176.300 0.081 0.000 0.973 34 D CA 1.907 55.950 54.000 0.073 0.000 0.860 34 D CB -0.605 40.223 40.800 0.047 0.000 1.015 34 D HN 0.511 nan 8.370 nan 0.000 0.465 35 Y N -1.016 119.345 120.300 0.101 0.000 2.502 35 Y HA 0.252 4.792 4.550 -0.017 0.000 0.295 35 Y C 1.610 177.474 175.900 -0.060 0.000 1.193 35 Y CA 0.051 58.164 58.100 0.022 0.000 1.295 35 Y CB -1.064 37.391 38.460 -0.009 0.000 1.059 35 Y HN -0.070 nan 8.280 nan 0.000 0.514 36 F N -1.656 118.298 119.950 0.007 0.000 2.680 36 F HA 0.346 4.863 4.527 -0.017 0.000 0.290 36 F C 1.676 177.494 175.800 0.030 0.000 1.114 36 F CA 1.207 59.216 58.000 0.015 0.000 1.333 36 F CB 0.134 39.141 39.000 0.012 0.000 1.091 36 F HN 0.541 nan 8.300 nan 0.000 0.606 37 H N -1.291 117.893 119.070 0.189 0.000 3.046 37 H HA 0.023 4.569 4.556 -0.017 0.000 0.249 37 H C 0.009 175.401 175.328 0.106 0.000 1.247 37 H CA -0.113 55.995 56.048 0.100 0.000 1.100 37 H CB -2.539 27.254 29.762 0.052 0.000 1.245 37 H HN 0.091 nan 8.280 nan 0.000 0.343 38 V N -1.035 118.973 119.914 0.157 0.000 3.624 38 V HA 0.845 4.954 4.120 -0.017 0.000 0.297 38 V C 0.623 176.794 176.094 0.128 0.000 1.319 38 V CA -0.293 62.132 62.300 0.208 0.000 0.990 38 V CB 1.773 33.809 31.823 0.356 0.000 1.247 38 V HN 1.292 nan 8.190 nan 0.000 0.476 39 N N -0.912 117.881 118.700 0.155 0.000 3.621 39 N HA 0.391 5.121 4.740 -0.017 0.000 0.345 39 N C 0.855 176.398 175.510 0.055 0.000 1.646 39 N CA 0.057 53.158 53.050 0.086 0.000 0.731 39 N CB 0.811 39.346 38.487 0.080 0.000 2.435 39 N HN 0.757 nan 8.380 nan 0.000 0.613 40 A N 0.308 123.152 122.820 0.039 0.000 2.032 40 A HA -0.204 4.106 4.320 -0.017 0.000 0.221 40 A C 1.729 179.309 177.584 -0.007 0.000 1.165 40 A CA 1.588 53.628 52.037 0.006 0.000 0.645 40 A CB -1.326 17.692 19.000 0.030 0.000 0.807 40 A HN 0.679 nan 8.150 nan 0.000 0.453 41 N N -1.654 117.087 118.700 0.068 0.000 2.038 41 N HA -0.204 4.526 4.740 -0.017 0.000 0.192 41 N C 1.942 177.417 175.510 -0.059 0.000 1.080 41 N CA 1.953 55.045 53.050 0.070 0.000 0.867 41 N CB -0.814 37.819 38.487 0.244 0.000 1.055 41 N HN 0.598 nan 8.380 nan 0.000 0.430 42 Y N 1.079 121.332 120.300 -0.080 0.000 2.418 42 Y HA -0.252 4.288 4.550 -0.017 0.000 0.268 42 Y C 1.294 177.060 175.900 -0.224 0.000 1.342 42 Y CA 1.826 59.770 58.100 -0.261 0.000 1.094 42 Y CB -1.557 36.879 38.460 -0.040 0.000 0.883 42 Y HN 0.277 nan 8.280 nan 0.000 0.542 43 I N 1.115 121.553 120.570 -0.220 0.000 2.575 43 I HA 0.509 4.669 4.170 -0.017 0.000 0.285 43 I C 0.396 176.238 176.117 -0.459 0.000 1.085 43 I CA -1.326 59.773 61.300 -0.335 0.000 1.403 43 I CB 0.879 38.634 38.000 -0.407 0.000 1.409 43 I HN 0.733 nan 8.210 nan 0.000 0.557 44 V N 5.201 124.836 119.914 -0.465 0.000 3.103 44 V HA 0.588 4.697 4.120 -0.017 0.000 0.318 44 V C -0.811 174.952 176.094 -0.552 0.000 1.114 44 V CA -0.742 61.312 62.300 -0.410 0.000 1.020 44 V CB 1.735 33.513 31.823 -0.076 0.000 1.085 44 V HN 0.895 nan 8.190 nan 0.000 0.446 45 W N 1.573 122.807 121.300 -0.111 0.000 2.410 45 W HA 0.614 5.261 4.660 -0.022 0.000 0.400 45 W C 1.268 177.848 176.519 0.102 0.000 0.777 45 W CA 0.125 57.485 57.345 0.025 0.000 2.632 45 W CB 0.175 29.722 29.460 0.145 0.000 1.504 45 W HN 1.035 nan 8.180 nan 0.000 0.757 46 K N 0.712 121.234 120.400 0.204 0.000 2.174 46 K HA 0.360 4.669 4.320 -0.017 0.000 0.247 46 K C 0.589 177.293 176.600 0.174 0.000 1.056 46 K CA 0.992 57.374 56.287 0.158 0.000 0.799 46 K CB -0.533 32.009 32.500 0.070 0.000 1.066 46 K HN 0.371 nan 8.250 nan 0.000 0.530 47 T N -5.078 109.551 114.554 0.125 0.000 3.952 47 T HA 0.378 4.718 4.350 -0.017 0.000 0.221 47 T C 0.564 175.323 174.700 0.099 0.000 0.568 47 T CA 0.818 62.989 62.100 0.117 0.000 0.883 47 T CB -1.169 67.776 68.868 0.129 0.000 1.313 47 T HN 2.189 nan 8.240 nan 0.000 0.492 48 N N 0.499 119.243 118.700 0.073 0.000 1.842 48 N HA -0.296 4.434 4.740 -0.017 0.000 0.226 48 N C 0.445 176.012 175.510 0.095 0.000 1.400 48 N CA 2.566 55.652 53.050 0.060 0.000 0.833 48 N CB -1.125 37.394 38.487 0.054 0.000 1.340 48 N HN 1.120 nan 8.380 nan 0.000 0.661 49 H N -3.543 115.541 119.070 0.023 0.000 2.960 49 H HA 0.603 5.145 4.556 -0.022 0.000 0.303 49 H C 1.722 177.062 175.328 0.020 0.000 1.412 49 H CA 0.348 56.405 56.048 0.015 0.000 1.227 49 H CB 0.076 29.843 29.762 0.007 0.000 1.912 49 H HN 0.548 nan 8.280 nan 0.000 0.583 50 F N 0.091 120.273 119.950 0.387 0.000 2.252 50 F HA -0.129 4.388 4.527 -0.017 0.000 0.178 50 F C 0.616 176.491 175.800 0.124 0.000 0.791 50 F CA 1.448 59.574 58.000 0.210 0.000 0.764 50 F CB -1.561 37.588 39.000 0.249 0.000 0.791 50 F HN 0.517 nan 8.300 nan 0.000 0.667 51 T N -1.044 113.576 114.554 0.110 0.000 2.977 51 T HA 0.454 4.794 4.350 -0.017 0.000 0.345 51 T C -0.979 173.794 174.700 0.121 0.000 1.562 51 T CA -0.169 62.006 62.100 0.126 0.000 1.090 51 T CB 1.235 70.179 68.868 0.127 0.000 1.383 51 T HN 0.967 nan 8.240 nan 0.000 0.484 52 I N 3.977 124.670 120.570 0.206 0.000 3.289 52 I HA 0.053 4.213 4.170 -0.017 0.000 0.295 52 I C -1.961 174.206 176.117 0.084 0.000 1.170 52 I CA -1.278 60.160 61.300 0.230 0.000 1.643 52 I CB -1.368 36.992 38.000 0.600 0.000 1.567 52 I HN 0.343 nan 8.210 nan 0.000 0.760 53 P HA -0.177 nan 4.420 nan 0.000 0.271 53 P C 1.077 178.097 177.300 -0.467 0.000 1.179 53 P CA 0.946 63.950 63.100 -0.160 0.000 0.766 53 P CB 0.481 32.099 31.700 -0.136 0.000 0.789 54 K N 2.453 122.653 120.400 -0.333 0.000 1.969 54 K HA -0.216 4.094 4.320 -0.017 0.000 0.216 54 K C 2.208 178.557 176.600 -0.418 0.000 1.048 54 K CA 2.743 58.803 56.287 -0.378 0.000 0.948 54 K CB -2.153 30.287 32.500 -0.099 0.000 0.726 54 K HN 0.624 nan 8.250 nan 0.000 0.442 55 E N 0.141 120.213 120.200 -0.214 0.000 2.448 55 E HA -0.110 4.229 4.350 -0.017 0.000 0.203 55 E C 2.266 178.773 176.600 -0.155 0.000 1.046 55 E CA 2.063 58.381 56.400 -0.136 0.000 0.871 55 E CB -1.473 28.179 29.700 -0.079 0.000 0.790 55 E HN 0.888 nan 8.360 nan 0.000 0.545 56 Q N -0.719 118.914 119.800 -0.278 0.000 2.163 56 Q HA 0.208 4.538 4.340 -0.017 0.000 0.198 56 Q C 1.226 177.185 176.000 -0.068 0.000 0.954 56 Q CA 0.729 56.422 55.803 -0.183 0.000 0.851 56 Q CB -0.492 28.136 28.738 -0.183 0.000 0.928 56 Q HN 0.786 nan 8.270 nan 0.000 0.459 57 Y N 1.063 121.426 120.300 0.105 0.000 2.426 57 Y HA 0.426 4.973 4.550 -0.005 0.000 0.344 57 Y C 0.457 176.418 175.900 0.102 0.000 1.256 57 Y CA -0.181 58.007 58.100 0.146 0.000 1.451 57 Y CB 0.588 39.208 38.460 0.266 0.000 1.342 57 Y HN 0.023 nan 8.280 nan 0.000 0.600 58 T N 1.133 115.849 114.554 0.269 0.000 3.064 58 T HA 0.482 4.822 4.350 -0.017 0.000 0.367 58 T C 0.202 175.001 174.700 0.166 0.000 1.202 58 T CA -0.571 61.630 62.100 0.170 0.000 1.133 58 T CB -0.465 68.464 68.868 0.102 0.000 1.074 58 T HN 0.797 nan 8.240 nan 0.000 0.519 59 I N 2.238 122.909 120.570 0.169 0.000 3.022 59 I HA 0.430 4.590 4.170 -0.017 0.000 0.290 59 I C 2.044 178.216 176.117 0.092 0.000 1.212 59 I CA 0.150 61.526 61.300 0.127 0.000 1.377 59 I CB -2.084 35.983 38.000 0.112 0.000 1.417 59 I HN 0.860 nan 8.210 nan 0.000 0.540 60 I N 4.494 125.114 120.570 0.083 0.000 2.039 60 I HA -0.098 4.062 4.170 -0.017 0.000 0.233 60 I C 1.163 177.308 176.117 0.047 0.000 1.040 60 I CA 2.749 64.084 61.300 0.059 0.000 1.308 60 I CB -0.910 37.122 38.000 0.053 0.000 1.035 60 I HN 0.972 nan 8.210 nan 0.000 0.392 61 N N -1.319 117.407 118.700 0.043 0.000 2.761 61 N HA 0.577 5.307 4.740 -0.017 0.000 0.283 61 N C 0.711 176.243 175.510 0.036 0.000 1.377 61 N CA 0.024 53.095 53.050 0.035 0.000 0.791 61 N CB 0.413 38.916 38.487 0.027 0.000 1.540 61 N HN 0.579 nan 8.380 nan 0.000 0.539 62 R N -1.029 119.490 120.500 0.031 0.000 2.528 62 R HA -0.035 4.294 4.340 -0.017 0.000 0.226 62 R C 0.446 176.764 176.300 0.029 0.000 1.229 62 R CA 1.590 57.709 56.100 0.031 0.000 1.217 62 R CB -1.824 28.490 30.300 0.024 0.000 0.763 62 R HN 0.661 nan 8.270 nan 0.000 0.502 63 T N -2.820 111.751 114.554 0.028 0.000 3.999 63 T HA 0.555 4.895 4.350 -0.017 0.000 0.257 63 T C -0.486 174.227 174.700 0.021 0.000 0.606 63 T CA 0.304 62.414 62.100 0.018 0.000 0.973 63 T CB -0.328 68.547 68.868 0.013 0.000 1.182 63 T HN 1.094 nan 8.240 nan 0.000 0.494 64 A N 1.649 124.484 122.820 0.025 0.000 3.289 64 A HA 0.865 5.175 4.320 -0.017 0.000 0.115 64 A C -0.757 176.866 177.584 0.066 0.000 1.427 64 A CA 0.221 52.286 52.037 0.047 0.000 2.606 64 A CB -0.086 18.953 19.000 0.065 0.000 2.953 64 A HN 1.415 nan 8.150 nan 0.000 1.262 65 S N -0.555 115.234 115.700 0.148 0.000 4.065 65 S HA 0.031 4.491 4.470 -0.017 0.000 0.345 65 S C -0.442 174.451 174.600 0.489 0.000 0.731 65 S CA 0.291 58.651 58.200 0.267 0.000 1.019 65 S CB -1.579 61.664 63.200 0.071 0.000 0.548 65 S HN 2.041 nan 8.310 nan 0.000 0.746 66 S N 1.344 117.200 115.700 0.260 0.000 2.510 66 S HA 0.532 4.992 4.470 -0.017 0.000 0.279 66 S C 0.124 174.742 174.600 0.030 0.000 1.284 66 S CA -0.039 58.226 58.200 0.108 0.000 1.059 66 S CB 0.458 63.687 63.200 0.049 0.000 0.901 66 S HN 0.617 nan 8.310 nan 0.000 0.491 67 V N 6.164 125.909 119.914 -0.282 0.000 2.444 67 V HA 0.396 4.506 4.120 -0.017 0.000 0.294 67 V C 0.528 176.511 176.094 -0.185 0.000 1.022 67 V CA -0.692 61.443 62.300 -0.275 0.000 0.850 67 V CB 1.534 32.951 31.823 -0.677 0.000 0.992 67 V HN 1.055 nan 8.190 nan 0.000 0.426 68 T N 3.830 118.384 114.554 0.000 0.000 2.867 68 T HA 0.690 5.029 4.350 -0.017 0.000 0.286 68 T C -0.875 174.117 174.700 0.487 0.000 1.022 68 T CA -0.312 61.820 62.100 0.054 0.000 0.933 68 T CB 0.819 69.698 68.868 0.019 0.000 1.280 68 T HN 0.250 nan 8.240 nan 0.000 0.566 69 F N 0.053 119.941 119.950 -0.104 0.000 2.569 69 F HA 0.457 4.981 4.527 -0.006 0.000 0.312 69 F C 1.156 176.907 175.800 -0.082 0.000 1.109 69 F CA -1.523 56.419 58.000 -0.097 0.000 0.919 69 F CB 1.264 40.202 39.000 -0.102 0.000 1.211 69 F HN 0.714 nan 8.300 nan 0.000 0.446 70 T N 1.364 115.907 114.554 -0.018 0.000 6.243 70 T HA -0.167 4.172 4.350 -0.017 0.000 0.416 70 T C 0.566 175.247 174.700 -0.032 0.000 0.873 70 T CA 1.956 64.018 62.100 -0.063 0.000 0.802 70 T CB -0.083 68.699 68.868 -0.143 0.000 0.790 70 T HN 0.684 nan 8.240 nan 0.000 0.267 71 D N -0.038 120.302 120.400 -0.101 0.000 2.574 71 D HA 0.510 5.140 4.640 -0.017 0.000 0.210 71 D C -0.063 176.150 176.300 -0.145 0.000 1.277 71 D CA -0.438 53.467 54.000 -0.158 0.000 1.121 71 D CB 0.041 40.628 40.800 -0.354 0.000 1.192 71 D HN 0.503 nan 8.370 nan 0.000 0.602 72 I N -1.212 119.206 120.570 -0.253 0.000 2.969 72 I HA 0.558 4.717 4.170 -0.017 0.000 0.307 72 I C -0.499 175.570 176.117 -0.080 0.000 1.149 72 I CA -1.065 60.176 61.300 -0.099 0.000 1.008 72 I CB 1.602 39.603 38.000 0.001 0.000 1.232 72 I HN 0.643 nan 8.210 nan 0.000 0.435 73 A N 1.945 124.755 122.820 -0.016 0.000 2.631 73 A HA 0.580 4.890 4.320 -0.017 0.000 0.258 73 A C 0.188 177.787 177.584 0.024 0.000 1.027 73 A CA 0.144 52.187 52.037 0.009 0.000 1.015 73 A CB 0.501 19.488 19.000 -0.022 0.000 1.206 73 A HN 0.695 nan 8.150 nan 0.000 0.556 74 S N -1.503 114.214 115.700 0.029 0.000 2.724 74 S HA 0.426 4.886 4.470 -0.017 0.000 0.278 74 S C 0.760 175.378 174.600 0.029 0.000 1.190 74 S CA 0.026 58.244 58.200 0.030 0.000 0.860 74 S CB -0.177 63.032 63.200 0.015 0.000 1.206 74 S HN 0.631 nan 8.310 nan 0.000 0.507 75 L N 0.885 122.115 121.223 0.012 0.000 2.042 75 L HA 0.061 4.390 4.340 -0.017 0.000 0.210 75 L C 1.692 178.559 176.870 -0.004 0.000 1.076 75 L CA 2.355 57.190 54.840 -0.009 0.000 0.749 75 L CB -1.228 40.805 42.059 -0.043 0.000 0.893 75 L HN 0.657 nan 8.230 nan 0.000 0.432 76 N N 0.791 119.495 118.700 0.007 0.000 2.378 76 N HA 0.313 5.043 4.740 -0.017 0.000 0.225 76 N C 0.341 175.872 175.510 0.034 0.000 1.153 76 N CA 1.300 54.359 53.050 0.016 0.000 1.134 76 N CB 0.750 39.245 38.487 0.012 0.000 1.490 76 N HN 0.245 nan 8.380 nan 0.000 0.541 77 I N 0.382 120.977 120.570 0.042 0.000 6.712 77 I HA 0.043 4.202 4.170 -0.017 0.000 0.131 77 I C -0.916 175.247 176.117 0.077 0.000 1.829 77 I CA 0.400 61.737 61.300 0.063 0.000 2.037 77 I CB -1.868 36.177 38.000 0.076 0.000 3.532 77 I HN 0.775 nan 8.210 nan 0.000 0.169 78 Q N 4.958 124.811 119.800 0.087 0.000 3.244 78 Q HA 0.862 5.191 4.340 -0.017 0.000 0.249 78 Q C -0.314 175.765 176.000 0.132 0.000 0.951 78 Q CA -0.008 55.855 55.803 0.099 0.000 0.740 78 Q CB 1.071 29.858 28.738 0.081 0.000 1.334 78 Q HN 2.661 nan 8.270 nan 0.000 0.448 79 L N 1.305 122.629 121.223 0.168 0.000 2.476 79 L HA 0.721 5.051 4.340 -0.017 0.000 0.264 79 L C 0.579 177.608 176.870 0.266 0.000 1.224 79 L CA 0.303 55.282 54.840 0.231 0.000 0.821 79 L CB 0.291 42.517 42.059 0.278 0.000 1.101 79 L HN 0.744 nan 8.230 nan 0.000 0.488 80 T N -1.537 113.234 114.554 0.362 0.000 2.937 80 T HA 0.403 4.743 4.350 -0.017 0.000 0.297 80 T C -0.078 174.839 174.700 0.362 0.000 0.991 80 T CA 0.233 62.520 62.100 0.311 0.000 0.990 80 T CB 0.607 69.573 68.868 0.163 0.000 0.991 80 T HN 1.463 nan 8.240 nan 0.000 0.440 81 c N 5.084 123.712 118.600 0.047 0.000 2.365 81 c HA 0.318 4.877 4.570 -0.017 0.000 0.386 81 c C 0.576 174.424 174.090 -0.403 0.000 1.357 81 c CA -0.732 55.139 56.329 -0.764 0.000 1.747 81 c CB -2.510 39.371 42.510 -1.049 0.000 2.487 81 c HN 0.818 nan 8.230 nan 0.000 0.585 85 T N 2.965 117.528 114.554 0.015 0.000 2.972 85 T HA 0.058 4.397 4.350 -0.017 0.000 0.245 85 T C 1.399 176.184 174.700 0.140 0.000 0.977 85 T CA 0.649 62.816 62.100 0.112 0.000 1.266 85 T CB -0.657 68.325 68.868 0.189 0.000 0.985 85 T HN 0.447 nan 8.240 nan 0.000 0.605 86 F N 2.846 122.821 119.950 0.041 0.000 2.057 86 F HA -0.389 4.129 4.527 -0.014 0.000 0.253 86 F C 2.383 178.198 175.800 0.025 0.000 1.073 86 F CA 2.408 60.425 58.000 0.029 0.000 1.543 86 F CB -1.026 37.990 39.000 0.027 0.000 0.857 86 F HN 0.593 nan 8.300 nan 0.000 0.456 87 G N -1.911 107.022 108.800 0.222 0.000 2.527 87 G HA2 0.005 3.954 3.960 -0.017 0.000 0.219 87 G HA3 0.005 3.954 3.960 -0.017 0.000 0.219 87 G C 0.112 175.058 174.900 0.076 0.000 1.117 87 G CA 1.164 46.344 45.100 0.134 0.000 0.759 87 G HN 0.473 nan 8.290 nan 0.000 0.556 88 Q N -1.913 117.918 119.800 0.052 0.000 3.460 88 Q HA 0.032 4.361 4.340 -0.017 0.000 0.130 88 Q C -0.205 175.809 176.000 0.023 0.000 0.975 88 Q CA 0.294 56.105 55.803 0.013 0.000 1.210 88 Q CB -0.786 27.962 28.738 0.015 0.000 1.754 88 Q HN 1.307 nan 8.270 nan 0.000 0.597 92 N N 1.340 119.976 118.700 -0.107 0.000 2.974 92 N HA -0.144 4.586 4.740 -0.017 0.000 0.298 92 N C 0.828 176.269 175.510 -0.113 0.000 1.048 92 N CA 1.004 54.001 53.050 -0.087 0.000 0.849 92 N CB -0.850 37.599 38.487 -0.064 0.000 0.952 92 N HN 0.528 nan 8.380 nan 0.000 0.615 93 V N 1.265 121.109 119.914 -0.117 0.000 2.284 93 V HA -0.070 4.040 4.120 -0.017 0.000 0.236 93 V C 1.457 177.547 176.094 -0.008 0.000 1.044 93 V CA 1.754 63.989 62.300 -0.108 0.000 1.019 93 V CB -0.414 31.309 31.823 -0.166 0.000 0.657 93 V HN 0.718 nan 8.190 nan 0.000 0.465 94 Y N -1.515 118.725 120.300 -0.100 0.000 3.189 94 Y HA 0.455 4.994 4.550 -0.018 0.000 0.213 94 Y C 1.090 176.991 175.900 0.001 0.000 1.032 94 Y CA 0.636 58.709 58.100 -0.046 0.000 1.482 94 Y CB 0.985 39.422 38.460 -0.038 0.000 1.460 94 Y HN 0.457 nan 8.280 nan 0.000 0.398 95 G N 2.308 111.344 108.800 0.393 0.000 2.796 95 G HA2 -0.239 3.711 3.960 -0.017 0.000 0.226 95 G HA3 -0.239 3.711 3.960 -0.017 0.000 0.226 95 G C -0.685 174.384 174.900 0.282 0.000 1.381 95 G CA 0.023 45.307 45.100 0.305 0.000 0.867 95 G HN 0.620 nan 8.290 nan 0.000 0.552 96 I N -3.143 117.543 120.570 0.193 0.000 3.710 96 I HA 0.789 4.948 4.170 -0.017 0.000 0.293 96 I C -0.042 176.141 176.117 0.110 0.000 1.170 96 I CA -0.425 60.949 61.300 0.124 0.000 1.186 96 I CB 1.872 39.886 38.000 0.023 0.000 1.308 96 I HN 0.788 nan 8.210 nan 0.000 0.437 97 T N 2.523 117.119 114.554 0.070 0.000 3.305 97 T HA 0.438 4.777 4.350 -0.017 0.000 0.309 97 T C -0.462 174.259 174.700 0.036 0.000 0.889 97 T CA -0.443 61.692 62.100 0.058 0.000 1.386 97 T CB -0.259 68.643 68.868 0.057 0.000 0.929 97 T HN 0.449 nan 8.240 nan 0.000 0.538 98 I N 1.828 122.418 120.570 0.034 0.000 3.427 98 I HA 0.442 4.602 4.170 -0.017 0.000 0.272 98 I C -0.147 175.988 176.117 0.030 0.000 1.285 98 I CA -0.499 60.813 61.300 0.020 0.000 1.300 98 I CB 0.171 38.187 38.000 0.027 0.000 1.378 98 I HN 0.318 nan 8.210 nan 0.000 0.634 99 I N -0.276 120.310 120.570 0.027 0.000 2.769 99 I HA 0.633 4.793 4.170 -0.017 0.000 0.298 99 I C -0.321 175.821 176.117 0.041 0.000 1.128 99 I CA -0.621 60.698 61.300 0.032 0.000 1.031 99 I CB 1.466 39.483 38.000 0.027 0.000 1.235 99 I HN 0.554 nan 8.210 nan 0.000 0.423 103 P HA -0.083 nan 4.420 nan 0.000 0.285 103 P C -1.766 175.555 177.300 0.034 0.000 1.613 103 P CA 0.112 63.230 63.100 0.031 0.000 1.239 103 P CB -0.431 31.285 31.700 0.027 0.000 1.161 104 P HA -0.001 nan 4.420 nan 0.000 0.248 104 P C -0.752 176.585 177.300 0.063 0.000 1.331 104 P CA 0.664 63.797 63.100 0.054 0.000 0.699 104 P CB 0.021 31.747 31.700 0.044 0.000 1.196 105 E N -3.809 116.422 120.200 0.051 0.000 3.821 105 E HA 0.194 4.534 4.350 -0.017 0.000 0.205 105 E C -0.936 175.675 176.600 0.017 0.000 1.190 105 E CA -0.143 56.282 56.400 0.040 0.000 0.776 105 E CB -1.828 27.907 29.700 0.059 0.000 0.820 105 E HN 0.247 nan 8.360 nan 0.000 0.410 106 K N 4.127 124.530 120.400 0.004 0.000 2.397 106 K HA 0.027 4.337 4.320 -0.017 0.000 0.263 106 K C -2.115 174.455 176.600 -0.050 0.000 1.143 106 K CA 0.622 56.900 56.287 -0.015 0.000 1.207 106 K CB -0.971 31.527 32.500 -0.004 0.000 0.804 106 K HN 0.322 nan 8.250 nan 0.000 0.494 107 P HA 0.281 nan 4.420 nan 0.000 0.266 107 P C -0.105 177.132 177.300 -0.105 0.000 1.195 107 P CA 0.140 63.097 63.100 -0.239 0.000 0.768 107 P CB 0.839 32.199 31.700 -0.568 0.000 0.838 108 K N 1.488 121.869 120.400 -0.031 0.000 2.306 108 K HA 0.458 4.767 4.320 -0.017 0.000 0.236 108 K C 0.668 177.320 176.600 0.086 0.000 1.013 108 K CA -0.029 56.278 56.287 0.032 0.000 0.857 108 K CB -0.158 32.364 32.500 0.037 0.000 1.214 108 K HN 0.550 nan 8.250 nan 0.000 0.449 109 N N -1.800 116.950 118.700 0.084 0.000 3.634 109 N HA -0.235 4.495 4.740 -0.017 0.000 0.229 109 N C -0.213 175.374 175.510 0.128 0.000 0.175 109 N CA 1.849 54.959 53.050 0.100 0.000 3.570 109 N CB -1.106 37.442 38.487 0.102 0.000 1.183 109 N HN 1.976 nan 8.380 nan 0.000 0.257 110 L N 0.069 121.404 121.223 0.187 0.000 3.121 110 L HA -0.123 4.206 4.340 -0.017 0.000 0.581 110 L C -0.291 176.684 176.870 0.175 0.000 1.002 110 L CA 1.349 56.324 54.840 0.226 0.000 1.291 110 L CB -1.323 40.858 42.059 0.204 0.000 1.409 110 L HN 0.665 nan 8.230 nan 0.000 0.691 111 S N 4.074 119.864 115.700 0.151 0.000 2.667 111 S HA 0.964 5.423 4.470 -0.017 0.000 0.292 111 S C -0.401 174.247 174.600 0.081 0.000 1.126 111 S CA -0.255 58.010 58.200 0.108 0.000 0.881 111 S CB 2.323 65.585 63.200 0.104 0.000 1.132 111 S HN 0.927 nan 8.310 nan 0.000 0.492 112 c N 1.991 120.597 118.600 0.010 0.000 2.626 112 c HA 0.770 5.330 4.570 -0.017 0.000 0.310 112 c C -0.889 173.155 174.090 -0.077 0.000 1.191 112 c CA -0.730 55.592 56.329 -0.011 0.000 1.517 112 c CB 1.159 43.715 42.510 0.075 0.000 2.102 112 c HN 0.878 nan 8.230 nan 0.000 0.479 113 I N 3.364 123.850 120.570 -0.140 0.000 2.465 113 I HA 0.500 4.659 4.170 -0.017 0.000 0.291 113 I C -0.862 175.179 176.117 -0.127 0.000 1.014 113 I CA -0.478 60.690 61.300 -0.220 0.000 1.093 113 I CB 1.897 39.465 38.000 -0.719 0.000 1.267 113 I HN 0.402 nan 8.210 nan 0.000 0.431 114 V N 8.285 128.174 119.914 -0.042 0.000 2.267 114 V HA 0.202 4.312 4.120 -0.017 0.000 0.254 114 V C 0.709 176.784 176.094 -0.032 0.000 1.144 114 V CA -0.362 61.930 62.300 -0.015 0.000 0.992 114 V CB -0.431 31.437 31.823 0.076 0.000 1.199 114 V HN 0.709 nan 8.190 nan 0.000 0.493 115 N N 3.309 121.955 118.700 -0.089 0.000 2.420 115 N HA 0.095 4.824 4.740 -0.017 0.000 0.262 115 N C 0.421 175.891 175.510 -0.067 0.000 1.144 115 N CA -0.397 52.592 53.050 -0.102 0.000 0.952 115 N CB 0.673 39.080 38.487 -0.133 0.000 1.081 115 N HN 0.777 nan 8.380 nan 0.000 0.480 116 E N 3.416 123.583 120.200 -0.055 0.000 2.606 116 E HA 0.009 4.349 4.350 -0.017 0.000 0.248 116 E C 0.970 177.539 176.600 -0.051 0.000 1.005 116 E CA 0.976 57.353 56.400 -0.039 0.000 0.946 116 E CB -0.060 29.606 29.700 -0.057 0.000 0.928 116 E HN 0.791 nan 8.360 nan 0.000 0.494 117 G N 2.293 111.069 108.800 -0.040 0.000 2.953 117 G HA2 -0.262 3.688 3.960 -0.017 0.000 0.201 117 G HA3 -0.262 3.688 3.960 -0.017 0.000 0.201 117 G C 0.566 175.432 174.900 -0.057 0.000 1.501 117 G CA 0.123 45.194 45.100 -0.048 0.000 1.094 117 G HN 0.884 nan 8.290 nan 0.000 0.555 118 K N 1.494 121.854 120.400 -0.067 0.000 2.386 118 K HA 0.749 5.059 4.320 -0.017 0.000 0.249 118 K C 0.698 177.242 176.600 -0.094 0.000 1.055 118 K CA 0.655 56.896 56.287 -0.077 0.000 0.930 118 K CB -0.069 32.384 32.500 -0.079 0.000 1.230 118 K HN 0.674 nan 8.250 nan 0.000 0.507 119 K N -0.419 119.914 120.400 -0.111 0.000 2.109 119 K HA 0.391 4.701 4.320 -0.017 0.000 0.243 119 K C 0.568 177.078 176.600 -0.150 0.000 1.006 119 K CA -0.756 55.438 56.287 -0.154 0.000 0.917 119 K CB 0.971 33.371 32.500 -0.168 0.000 1.081 119 K HN 0.711 nan 8.250 nan 0.000 0.468 120 M N 1.679 121.160 119.600 -0.198 0.000 2.246 120 M HA -0.062 4.408 4.480 -0.017 0.000 0.327 120 M C -0.152 176.090 176.300 -0.096 0.000 1.090 120 M CA 1.105 56.323 55.300 -0.137 0.000 1.087 120 M CB 0.448 32.941 32.600 -0.180 0.000 1.587 120 M HN 0.387 nan 8.290 nan 0.000 0.444 121 R N 4.048 124.509 120.500 -0.066 0.000 2.564 121 R HA 0.543 4.872 4.340 -0.017 0.000 0.284 121 R C -2.390 173.883 176.300 -0.046 0.000 1.031 121 R CA -0.473 55.586 56.100 -0.068 0.000 0.904 121 R CB 1.381 31.616 30.300 -0.108 0.000 1.199 121 R HN 0.921 nan 8.270 nan 0.000 0.443 122 c N 2.647 121.233 118.600 -0.023 0.000 2.441 122 c HA 0.568 5.127 4.570 -0.017 0.000 0.318 122 c C -0.188 173.841 174.090 -0.102 0.000 1.222 122 c CA -0.802 55.546 56.329 0.032 0.000 1.474 122 c CB 1.547 44.172 42.510 0.191 0.000 2.125 122 c HN 0.743 nan 8.230 nan 0.000 0.479 123 E N 0.846 120.985 120.200 -0.102 0.000 2.264 123 E HA 0.807 5.147 4.350 -0.017 0.000 0.260 123 E C -0.670 175.875 176.600 -0.092 0.000 0.961 123 E CA -0.138 56.076 56.400 -0.309 0.000 0.834 123 E CB 1.331 30.906 29.700 -0.208 0.000 1.230 123 E HN 0.731 nan 8.360 nan 0.000 0.412 124 W N -0.940 120.335 121.300 -0.043 0.000 2.822 124 W HA 0.617 5.267 4.660 -0.017 0.000 0.438 124 W C -1.647 174.831 176.519 -0.069 0.000 1.022 124 W CA -0.725 56.580 57.345 -0.067 0.000 1.242 124 W CB 0.370 29.750 29.460 -0.132 0.000 1.445 124 W HN 0.176 nan 8.180 nan 0.000 0.621 125 D N -0.229 120.408 120.400 0.395 0.000 2.787 125 D HA 0.442 5.072 4.640 -0.017 0.000 0.246 125 D C 0.875 177.304 176.300 0.215 0.000 1.150 125 D CA -0.247 53.897 54.000 0.240 0.000 0.864 125 D CB 1.800 42.673 40.800 0.122 0.000 1.481 125 D HN 0.718 nan 8.370 nan 0.000 0.509 126 G N 1.037 109.983 108.800 0.243 0.000 2.433 126 G HA2 0.291 4.241 3.960 -0.017 0.000 0.216 126 G HA3 0.291 4.241 3.960 -0.017 0.000 0.216 126 G C 0.888 175.884 174.900 0.160 0.000 1.186 126 G CA 1.015 46.273 45.100 0.264 0.000 0.779 126 G HN 0.908 nan 8.290 nan 0.000 0.543 127 G N 0.011 108.883 108.800 0.120 0.000 2.436 127 G HA2 0.134 4.084 3.960 -0.017 0.000 0.205 127 G HA3 0.134 4.084 3.960 -0.017 0.000 0.205 127 G C -0.466 174.465 174.900 0.050 0.000 1.188 127 G CA 0.198 45.341 45.100 0.071 0.000 1.267 127 G HN 1.013 nan 8.290 nan 0.000 0.536 128 R N 1.063 121.577 120.500 0.022 0.000 2.686 128 R HA 0.685 5.015 4.340 -0.017 0.000 0.286 128 R C -0.061 176.179 176.300 -0.099 0.000 0.969 128 R CA -0.795 55.288 56.100 -0.027 0.000 0.898 128 R CB 1.470 31.751 30.300 -0.031 0.000 1.183 128 R HN 0.409 nan 8.270 nan 0.000 0.456 129 E N 1.498 121.577 120.200 -0.201 0.000 2.413 129 E HA -0.100 4.240 4.350 -0.017 0.000 0.210 129 E C 0.757 176.983 176.600 -0.622 0.000 1.273 129 E CA 1.150 57.316 56.400 -0.391 0.000 1.009 129 E CB -0.806 28.623 29.700 -0.451 0.000 1.008 129 E HN 0.853 nan 8.360 nan 0.000 0.543 130 T N 0.490 114.875 114.554 -0.281 0.000 10.555 130 T HA -0.453 3.886 4.350 -0.017 0.000 0.353 130 T C 0.294 174.961 174.700 -0.054 0.000 1.522 130 T CA 2.669 64.694 62.100 -0.124 0.000 2.084 130 T CB -0.622 68.234 68.868 -0.019 0.000 2.477 130 T HN 0.706 nan 8.240 nan 0.000 0.766 131 H N -2.427 116.659 119.070 0.025 0.000 3.063 131 H HA -0.034 4.512 4.556 -0.018 0.000 0.242 131 H C -0.002 175.335 175.328 0.014 0.000 1.243 131 H CA 1.244 57.304 56.048 0.020 0.000 1.096 131 H CB -2.280 27.497 29.762 0.025 0.000 1.232 131 H HN 1.358 nan 8.280 nan 0.000 0.335 132 L N -0.920 120.373 121.223 0.117 0.000 2.480 132 L HA 0.770 5.100 4.340 -0.017 0.000 0.253 132 L C 0.927 177.814 176.870 0.028 0.000 1.324 132 L CA 0.303 55.182 54.840 0.064 0.000 0.916 132 L CB -0.140 41.950 42.059 0.053 0.000 1.160 132 L HN 0.606 nan 8.230 nan 0.000 0.503 133 E N 0.662 120.875 120.200 0.022 0.000 3.552 133 E HA 0.248 4.587 4.350 -0.017 0.000 0.327 133 E C 0.599 177.169 176.600 -0.049 0.000 0.876 133 E CA 1.280 57.671 56.400 -0.015 0.000 1.034 133 E CB -0.537 29.153 29.700 -0.017 0.000 1.077 133 E HN 2.302 nan 8.360 nan 0.000 0.494 134 T N -0.563 113.920 114.554 -0.118 0.000 2.923 134 T HA 0.590 4.929 4.350 -0.017 0.000 0.311 134 T C -0.759 173.744 174.700 -0.328 0.000 1.183 134 T CA -0.885 61.106 62.100 -0.182 0.000 1.020 134 T CB 1.511 70.282 68.868 -0.161 0.000 1.165 134 T HN 0.458 nan 8.240 nan 0.000 0.482 135 N N 1.194 119.756 118.700 -0.230 0.000 2.511 135 N HA 0.563 5.292 4.740 -0.017 0.000 0.249 135 N C -1.418 174.066 175.510 -0.044 0.000 0.971 135 N CA -0.556 52.398 53.050 -0.160 0.000 0.938 135 N CB 0.334 38.792 38.487 -0.048 0.000 1.131 135 N HN 0.437 nan 8.380 nan 0.000 0.505 136 F N 0.733 120.715 119.950 0.054 0.000 2.396 136 F HA 0.434 4.950 4.527 -0.017 0.000 0.343 136 F C 0.942 176.739 175.800 -0.004 0.000 1.104 136 F CA -0.677 57.324 58.000 0.002 0.000 1.161 136 F CB 0.944 40.060 39.000 0.193 0.000 1.146 136 F HN 0.132 nan 8.300 nan 0.000 0.522 137 T N 4.653 119.248 114.554 0.069 0.000 2.881 137 T HA 0.464 4.803 4.350 -0.017 0.000 0.290 137 T C -1.169 173.439 174.700 -0.154 0.000 1.000 137 T CA -0.576 61.519 62.100 -0.008 0.000 0.978 137 T CB 1.929 70.768 68.868 -0.048 0.000 0.997 137 T HN 0.291 nan 8.240 nan 0.000 0.443 138 L N 3.305 124.491 121.223 -0.063 0.000 2.307 138 L HA 0.693 5.023 4.340 -0.017 0.000 0.282 138 L C -0.346 176.380 176.870 -0.241 0.000 1.051 138 L CA -0.421 54.352 54.840 -0.112 0.000 0.804 138 L CB 0.697 42.830 42.059 0.124 0.000 1.197 138 L HN 0.406 nan 8.230 nan 0.000 0.431 139 K N 2.143 122.257 120.400 -0.475 0.000 2.288 139 K HA 0.873 5.182 4.320 -0.017 0.000 0.234 139 K C -0.845 175.546 176.600 -0.348 0.000 1.037 139 K CA -0.539 55.345 56.287 -0.672 0.000 0.914 139 K CB 1.602 33.031 32.500 -1.786 0.000 1.197 139 K HN 0.800 nan 8.250 nan 0.000 0.471 140 S N -2.530 113.036 115.700 -0.223 0.000 2.712 140 S HA 0.605 5.065 4.470 -0.017 0.000 0.279 140 S C -1.197 173.499 174.600 0.161 0.000 1.025 140 S CA -0.695 57.554 58.200 0.082 0.000 0.861 140 S CB 0.768 64.100 63.200 0.221 0.000 1.091 140 S HN 0.708 nan 8.310 nan 0.000 0.457 141 E N -0.262 120.078 120.200 0.234 0.000 2.380 141 E HA 0.557 4.897 4.350 -0.017 0.000 0.281 141 E C -1.320 175.462 176.600 0.302 0.000 0.999 141 E CA -0.781 55.715 56.400 0.160 0.000 0.800 141 E CB 0.565 30.368 29.700 0.173 0.000 1.228 141 E HN 0.883 nan 8.360 nan 0.000 0.436 142 W N 0.845 122.135 121.300 -0.016 0.000 3.008 142 W HA 0.500 5.150 4.660 -0.017 0.000 0.355 142 W C 1.841 178.365 176.519 0.008 0.000 1.095 142 W CA 0.602 57.955 57.345 0.014 0.000 1.738 142 W CB 0.159 29.596 29.460 -0.039 0.000 1.091 142 W HN 1.602 nan 8.180 nan 0.000 0.574 143 A N -0.413 122.525 122.820 0.196 0.000 4.174 143 A HA -0.430 3.880 4.320 -0.017 0.000 0.264 143 A C 1.706 179.350 177.584 0.100 0.000 0.875 143 A CA 2.869 54.969 52.037 0.104 0.000 1.029 143 A CB -1.703 17.335 19.000 0.064 0.000 0.990 143 A HN 0.250 nan 8.150 nan 0.000 0.703 144 T N -2.773 111.877 114.554 0.160 0.000 2.851 144 T HA 0.304 4.644 4.350 -0.017 0.000 0.262 144 T C 0.829 175.658 174.700 0.214 0.000 1.043 144 T CA 1.738 63.934 62.100 0.160 0.000 1.140 144 T CB -0.147 68.837 68.868 0.194 0.000 0.872 144 T HN 1.192 nan 8.240 nan 0.000 0.446 145 H N -0.176 118.943 119.070 0.083 0.000 3.110 145 H HA 0.658 5.204 4.556 -0.017 0.000 0.277 145 H C -1.647 173.515 175.328 -0.277 0.000 1.571 145 H CA -1.100 54.884 56.048 -0.106 0.000 1.206 145 H CB 1.150 30.819 29.762 -0.155 0.000 1.852 145 H HN -0.040 nan 8.280 nan 0.000 0.629 146 K N 1.287 121.161 120.400 -0.878 0.000 2.562 146 K HA 0.243 4.553 4.320 -0.017 0.000 0.267 146 K C -2.264 173.922 176.600 -0.689 0.000 0.938 146 K CA -0.519 55.425 56.287 -0.572 0.000 0.840 146 K CB 1.399 33.733 32.500 -0.276 0.000 1.390 146 K HN 0.385 nan 8.250 nan 0.000 0.428 147 F N 1.505 121.342 119.950 -0.188 0.000 2.432 147 F HA 0.620 5.137 4.527 -0.017 0.000 0.329 147 F C 1.225 176.851 175.800 -0.290 0.000 1.076 147 F CA 0.018 57.827 58.000 -0.319 0.000 1.018 147 F CB 1.450 40.024 39.000 -0.711 0.000 1.201 147 F HN 0.762 nan 8.300 nan 0.000 0.489 148 A N 1.218 124.017 122.820 -0.034 0.000 2.611 148 A HA 0.148 4.458 4.320 -0.017 0.000 0.259 148 A C -0.754 176.783 177.584 -0.079 0.000 1.177 148 A CA 0.193 52.186 52.037 -0.073 0.000 0.906 148 A CB -0.297 18.655 19.000 -0.080 0.000 1.095 148 A HN 0.663 nan 8.150 nan 0.000 0.530 149 D N -1.306 119.059 120.400 -0.060 0.000 2.629 149 D HA 0.411 5.041 4.640 -0.017 0.000 0.250 149 D C -0.432 175.857 176.300 -0.018 0.000 1.126 149 D CA -0.320 53.646 54.000 -0.057 0.000 0.852 149 D CB 0.909 41.666 40.800 -0.073 0.000 1.335 149 D HN 0.623 nan 8.370 nan 0.000 0.518 150 c N 1.989 120.594 118.600 0.009 0.000 2.665 150 c HA 0.501 5.061 4.570 -0.017 0.000 0.416 150 c C 0.423 174.546 174.090 0.054 0.000 1.305 150 c CA 0.172 56.529 56.329 0.048 0.000 1.903 150 c CB -1.415 41.148 42.510 0.088 0.000 2.704 150 c HN 0.733 nan 8.230 nan 0.000 0.629 151 K N 4.514 124.957 120.400 0.071 0.000 2.668 151 K HA 0.716 5.026 4.320 -0.017 0.000 0.246 151 K C 0.021 176.690 176.600 0.115 0.000 0.976 151 K CA 0.364 56.705 56.287 0.090 0.000 0.902 151 K CB 0.606 33.134 32.500 0.046 0.000 1.172 151 K HN 2.024 nan 8.250 nan 0.000 0.452 152 A N 1.788 124.731 122.820 0.205 0.000 2.644 152 A HA 0.179 4.489 4.320 -0.017 0.000 0.225 152 A C 0.279 177.918 177.584 0.092 0.000 1.122 152 A CA 0.748 52.902 52.037 0.195 0.000 0.876 152 A CB -0.133 19.067 19.000 0.333 0.000 0.972 152 A HN 0.738 nan 8.150 nan 0.000 0.494 153 K N 0.628 121.062 120.400 0.055 0.000 2.201 153 K HA 0.378 4.688 4.320 -0.017 0.000 0.278 153 K C 1.140 177.752 176.600 0.019 0.000 1.027 153 K CA -0.270 56.032 56.287 0.025 0.000 0.909 153 K CB 1.042 33.546 32.500 0.006 0.000 1.062 153 K HN 0.614 nan 8.250 nan 0.000 0.465 154 R N 0.741 121.246 120.500 0.007 0.000 2.119 154 R HA -0.181 4.149 4.340 -0.017 0.000 0.246 154 R C 1.107 177.407 176.300 -0.000 0.000 1.146 154 R CA 1.679 57.777 56.100 -0.004 0.000 0.962 154 R CB -0.136 30.159 30.300 -0.008 0.000 0.863 154 R HN 0.615 nan 8.270 nan 0.000 0.442 155 D N 0.367 120.766 120.400 -0.001 0.000 2.325 155 D HA -0.040 4.589 4.640 -0.017 0.000 0.234 155 D C -0.507 175.789 176.300 -0.006 0.000 1.122 155 D CA 0.619 54.618 54.000 -0.003 0.000 0.850 155 D CB 0.233 41.030 40.800 -0.005 0.000 0.921 155 D HN 0.283 nan 8.370 nan 0.000 0.513 156 T N -1.939 112.613 114.554 -0.003 0.000 3.865 156 T HA 0.164 4.504 4.350 -0.017 0.000 0.234 156 T C -2.951 171.752 174.700 0.005 0.000 0.584 156 T CA -0.889 61.203 62.100 -0.014 0.000 1.058 156 T CB 1.174 70.019 68.868 -0.038 0.000 1.174 156 T HN -0.220 nan 8.240 nan 0.000 0.514 157 P HA 0.203 nan 4.420 nan 0.000 0.257 157 P C 1.141 178.645 177.300 0.341 0.000 1.325 157 P CA 0.322 63.504 63.100 0.137 0.000 0.850 157 P CB 0.309 32.053 31.700 0.072 0.000 1.324 158 T N -5.867 108.716 114.554 0.047 0.000 2.989 158 T HA 0.123 4.463 4.350 -0.017 0.000 0.250 158 T C 1.428 175.504 174.700 -1.039 0.000 0.981 158 T CA 0.424 62.298 62.100 -0.377 0.000 0.980 158 T CB -0.609 68.033 68.868 -0.377 0.000 1.133 158 T HN -0.015 nan 8.240 nan 0.000 0.489 159 S N 0.320 115.713 115.700 -0.511 0.000 2.330 159 S HA 0.354 4.813 4.470 -0.017 0.000 0.204 159 S C 0.316 174.683 174.600 -0.388 0.000 1.444 159 S CA 0.639 58.573 58.200 -0.442 0.000 1.682 159 S CB -0.551 62.514 63.200 -0.225 0.000 0.487 159 S HN 1.140 nan 8.310 nan 0.000 0.381 160 c N -0.681 117.821 118.600 -0.163 0.000 1.881 160 c HA 0.266 4.826 4.570 -0.017 0.000 0.265 160 c C -0.885 173.182 174.090 -0.038 0.000 0.773 160 c CA -0.472 55.831 56.329 -0.043 0.000 0.824 160 c CB -1.095 41.438 42.510 0.037 0.000 2.194 160 c HN 0.920 nan 8.230 nan 0.000 0.749 161 T N 4.983 119.528 114.554 -0.016 0.000 2.848 161 T HA 0.622 4.962 4.350 -0.017 0.000 0.285 161 T C 0.615 175.313 174.700 -0.003 0.000 0.995 161 T CA -0.050 62.033 62.100 -0.028 0.000 0.970 161 T CB 1.404 70.242 68.868 -0.050 0.000 0.976 161 T HN 1.513 nan 8.240 nan 0.000 0.441 162 V N 0.960 120.869 119.914 -0.007 0.000 4.036 162 V HA 0.348 4.458 4.120 -0.017 0.000 0.279 162 V C 0.635 176.742 176.094 0.021 0.000 0.989 162 V CA 0.377 62.710 62.300 0.055 0.000 1.003 162 V CB 0.085 31.933 31.823 0.041 0.000 1.209 162 V HN 1.034 nan 8.190 nan 0.000 0.447 163 D N -2.380 118.094 120.400 0.125 0.000 3.120 163 D HA 0.159 4.789 4.640 -0.017 0.000 0.331 163 D C -0.651 175.733 176.300 0.140 0.000 1.595 163 D CA -0.394 53.642 54.000 0.060 0.000 0.771 163 D CB -0.797 40.026 40.800 0.039 0.000 1.274 163 D HN 0.727 nan 8.370 nan 0.000 0.503 164 Y N -0.980 119.131 120.300 -0.314 0.000 2.446 164 Y HA 0.811 5.351 4.550 -0.017 0.000 0.345 164 Y C 0.215 175.927 175.900 -0.314 0.000 0.984 164 Y CA -2.512 55.361 58.100 -0.380 0.000 1.058 164 Y CB 0.609 38.639 38.460 -0.717 0.000 1.220 164 Y HN -0.137 nan 8.280 nan 0.000 0.455 165 S N 1.691 117.258 115.700 -0.222 0.000 2.560 165 S HA 0.290 4.750 4.470 -0.017 0.000 0.284 165 S C 0.242 174.636 174.600 -0.344 0.000 1.327 165 S CA -0.269 57.780 58.200 -0.251 0.000 1.055 165 S CB 0.070 63.181 63.200 -0.148 0.000 0.868 165 S HN 0.791 nan 8.310 nan 0.000 0.506 166 T N -0.887 113.437 114.554 -0.384 0.000 2.847 166 T HA 0.545 4.885 4.350 -0.017 0.000 0.279 166 T C 0.114 174.585 174.700 -0.382 0.000 0.984 166 T CA -0.918 60.943 62.100 -0.398 0.000 0.988 166 T CB 0.689 69.299 68.868 -0.430 0.000 1.040 166 T HN 0.617 nan 8.240 nan 0.000 0.528 167 V N -0.923 118.834 119.914 -0.263 0.000 2.462 167 V HA 0.330 4.440 4.120 -0.017 0.000 0.257 167 V C -0.901 175.044 176.094 -0.249 0.000 0.944 167 V CA -1.445 60.762 62.300 -0.155 0.000 0.903 167 V CB -1.619 30.380 31.823 0.294 0.000 1.128 167 V HN 0.797 nan 8.190 nan 0.000 0.486 168 Y N 2.649 122.787 120.300 -0.270 0.000 2.986 168 Y HA 0.290 4.830 4.550 -0.017 0.000 0.342 168 Y C 0.578 176.061 175.900 -0.695 0.000 1.275 168 Y CA 0.176 57.925 58.100 -0.586 0.000 1.527 168 Y CB -0.357 37.494 38.460 -1.016 0.000 1.296 168 Y HN 0.643 nan 8.280 nan 0.000 0.628 169 F N -0.445 119.645 119.950 0.234 0.000 2.201 169 F HA -0.010 4.507 4.527 -0.017 0.000 0.470 169 F C -0.401 175.408 175.800 0.016 0.000 1.227 169 F CA -0.570 57.507 58.000 0.128 0.000 1.522 169 F CB -1.882 37.172 39.000 0.089 0.000 2.383 169 F HN 0.379 nan 8.300 nan 0.000 0.741 170 V N 2.120 122.116 119.914 0.137 0.000 5.601 170 V HA -0.008 4.101 4.120 -0.017 0.000 0.257 170 V C -0.089 175.973 176.094 -0.053 0.000 1.008 170 V CA -1.082 61.154 62.300 -0.106 0.000 1.564 170 V CB 0.169 31.825 31.823 -0.279 0.000 0.152 170 V HN 0.747 nan 8.190 nan 0.000 0.436 171 N N 3.625 122.320 118.700 -0.008 0.000 2.167 171 N HA 0.138 4.867 4.740 -0.017 0.000 0.258 171 N C -0.226 175.288 175.510 0.007 0.000 1.241 171 N CA 0.789 53.851 53.050 0.019 0.000 0.829 171 N CB 0.574 39.066 38.487 0.007 0.000 1.072 171 N HN 0.524 nan 8.380 nan 0.000 0.466 172 I N 0.514 121.037 120.570 -0.078 0.000 3.174 172 I HA 0.272 4.431 4.170 -0.017 0.000 0.313 172 I C -0.322 175.658 176.117 -0.229 0.000 1.155 172 I CA -0.601 60.663 61.300 -0.061 0.000 0.977 172 I CB 2.306 40.309 38.000 0.005 0.000 1.248 172 I HN 0.458 nan 8.210 nan 0.000 0.453 173 E N 2.714 122.888 120.200 -0.043 0.000 2.220 173 E HA 0.617 4.956 4.350 -0.017 0.000 0.256 173 E C -1.694 174.990 176.600 0.139 0.000 0.881 173 E CA -0.406 56.029 56.400 0.058 0.000 0.766 173 E CB 1.288 31.094 29.700 0.177 0.000 1.187 173 E HN 0.346 nan 8.360 nan 0.000 0.419 174 V N 1.940 121.958 119.914 0.173 0.000 3.040 174 V HA 0.917 5.027 4.120 -0.017 0.000 0.312 174 V C -1.198 175.145 176.094 0.416 0.000 1.115 174 V CA -1.071 61.369 62.300 0.233 0.000 0.998 174 V CB 1.295 33.238 31.823 0.201 0.000 1.042 174 V HN 0.831 nan 8.190 nan 0.000 0.433 175 W N 0.395 121.645 121.300 -0.084 0.000 4.150 175 W HA 0.674 5.323 4.660 -0.018 0.000 0.264 175 W C -2.114 174.336 176.519 -0.116 0.000 1.296 175 W CA -1.107 56.196 57.345 -0.070 0.000 1.270 175 W CB 0.384 29.819 29.460 -0.043 0.000 1.214 175 W HN 0.474 nan 8.180 nan 0.000 0.538 176 V N 3.303 123.077 119.914 -0.233 0.000 2.446 176 V HA 0.032 4.142 4.120 -0.017 0.000 0.276 176 V C 0.423 176.289 176.094 -0.381 0.000 1.030 176 V CA 0.373 62.325 62.300 -0.580 0.000 1.033 176 V CB 0.799 31.940 31.823 -1.136 0.000 0.993 176 V HN 0.606 nan 8.190 nan 0.000 0.477 177 E N 4.433 124.427 120.200 -0.343 0.000 2.130 177 E HA 0.577 4.916 4.350 -0.017 0.000 0.284 177 E C -0.162 176.410 176.600 -0.047 0.000 1.018 177 E CA -0.465 55.863 56.400 -0.121 0.000 0.817 177 E CB 0.992 30.649 29.700 -0.071 0.000 1.078 177 E HN 0.833 nan 8.360 nan 0.000 0.396 178 A N 4.701 127.536 122.820 0.026 0.000 2.305 178 A HA 0.507 4.817 4.320 -0.017 0.000 0.322 178 A C -0.579 177.095 177.584 0.150 0.000 1.187 178 A CA -0.570 51.606 52.037 0.233 0.000 0.825 178 A CB 1.156 20.311 19.000 0.259 0.000 1.164 178 A HN 0.774 nan 8.150 nan 0.000 0.498 179 E N 1.047 121.319 120.200 0.119 0.000 2.314 179 E HA 0.510 4.849 4.350 -0.017 0.000 0.272 179 E C -0.699 175.903 176.600 0.003 0.000 0.884 179 E CA -0.549 55.879 56.400 0.047 0.000 0.753 179 E CB 1.570 31.287 29.700 0.028 0.000 1.213 179 E HN 0.953 nan 8.360 nan 0.000 0.432 180 N N 1.380 120.087 118.700 0.012 0.000 3.316 180 N HA 0.499 5.228 4.740 -0.017 0.000 0.300 180 N C 0.370 175.885 175.510 0.009 0.000 1.567 180 N CA -0.218 52.832 53.050 0.000 0.000 0.821 180 N CB 0.885 39.374 38.487 0.005 0.000 1.748 180 N HN 0.329 nan 8.380 nan 0.000 0.603 181 A N -0.269 122.557 122.820 0.010 0.000 1.902 181 A HA 0.033 4.343 4.320 -0.017 0.000 0.217 181 A C 0.861 178.453 177.584 0.014 0.000 1.181 181 A CA 1.194 53.238 52.037 0.011 0.000 0.623 181 A CB -0.928 18.079 19.000 0.012 0.000 0.818 181 A HN 0.421 nan 8.150 nan 0.000 0.443 182 L N 0.099 121.334 121.223 0.019 0.000 2.598 182 L HA 0.598 4.928 4.340 -0.017 0.000 0.241 182 L C 0.628 177.510 176.870 0.020 0.000 1.244 182 L CA 0.102 54.954 54.840 0.019 0.000 1.198 182 L CB -0.922 41.151 42.059 0.024 0.000 1.448 182 L HN 0.529 nan 8.230 nan 0.000 0.406 183 G N -0.410 108.401 108.800 0.018 0.000 3.190 183 G HA2 0.214 4.163 3.960 -0.017 0.000 0.686 183 G HA3 0.214 4.163 3.960 -0.017 0.000 0.686 183 G C -0.279 174.636 174.900 0.026 0.000 1.033 183 G CA -0.378 44.734 45.100 0.019 0.000 0.797 183 G HN 0.660 nan 8.290 nan 0.000 0.567 184 K N 0.931 121.347 120.400 0.028 0.000 2.144 184 K HA 1.011 5.320 4.320 -0.017 0.000 0.270 184 K C 0.461 177.086 176.600 0.041 0.000 1.005 184 K CA 0.089 56.398 56.287 0.037 0.000 0.932 184 K CB 2.280 34.802 32.500 0.037 0.000 1.021 184 K HN 2.123 nan 8.250 nan 0.000 0.462 185 V N 0.488 120.432 119.914 0.051 0.000 3.084 185 V HA 0.776 4.886 4.120 -0.017 0.000 0.311 185 V C -0.150 175.990 176.094 0.077 0.000 1.311 185 V CA 0.415 62.748 62.300 0.055 0.000 1.062 185 V CB 2.502 34.349 31.823 0.039 0.000 1.113 185 V HN 1.236 nan 8.190 nan 0.000 0.468 186 T N 0.068 114.680 114.554 0.097 0.000 2.841 186 T HA 0.722 5.062 4.350 -0.017 0.000 0.276 186 T C 0.112 174.893 174.700 0.134 0.000 1.003 186 T CA 0.086 62.298 62.100 0.186 0.000 0.995 186 T CB 1.329 70.370 68.868 0.288 0.000 1.260 186 T HN 1.174 nan 8.240 nan 0.000 0.581 187 S N -0.784 115.058 115.700 0.237 0.000 2.618 187 S HA 0.496 4.956 4.470 -0.017 0.000 0.284 187 S C -0.881 173.804 174.600 0.142 0.000 1.102 187 S CA -0.773 57.501 58.200 0.123 0.000 0.984 187 S CB 0.315 63.550 63.200 0.058 0.000 1.280 187 S HN 0.641 nan 8.310 nan 0.000 0.525 188 D N 1.091 121.564 120.400 0.121 0.000 2.274 188 D HA 0.304 4.934 4.640 -0.017 0.000 0.239 188 D C -0.329 176.102 176.300 0.218 0.000 1.104 188 D CA -0.044 54.020 54.000 0.106 0.000 0.840 188 D CB 0.429 41.267 40.800 0.063 0.000 1.100 188 D HN 0.487 nan 8.370 nan 0.000 0.477 189 H N 1.995 121.053 119.070 -0.020 0.000 3.038 189 H HA 0.021 4.567 4.556 -0.017 0.000 0.338 189 H C 0.442 175.830 175.328 0.099 0.000 1.041 189 H CA 0.130 56.183 56.048 0.008 0.000 1.394 189 H CB 1.233 30.876 29.762 -0.199 0.000 1.357 189 H HN 0.377 nan 8.280 nan 0.000 0.600 190 I N 1.358 122.064 120.570 0.228 0.000 2.828 190 I HA 0.354 4.513 4.170 -0.017 0.000 0.302 190 I C -1.185 175.037 176.117 0.175 0.000 1.101 190 I CA -0.914 60.515 61.300 0.215 0.000 1.031 190 I CB 2.243 40.404 38.000 0.268 0.000 1.231 190 I HN 0.525 nan 8.210 nan 0.000 0.427 191 N N 5.597 124.396 118.700 0.165 0.000 2.448 191 N HA 0.626 5.356 4.740 -0.017 0.000 0.279 191 N C -1.394 174.206 175.510 0.150 0.000 1.025 191 N CA -0.419 52.675 53.050 0.075 0.000 0.898 191 N CB 1.008 39.531 38.487 0.061 0.000 1.303 191 N HN 0.601 nan 8.380 nan 0.000 0.495 192 F N 0.122 120.134 119.950 0.103 0.000 2.814 192 F HA 0.690 5.207 4.527 -0.017 0.000 0.353 192 F C -0.750 175.118 175.800 0.114 0.000 1.177 192 F CA -1.171 56.876 58.000 0.078 0.000 1.036 192 F CB 0.859 39.913 39.000 0.090 0.000 1.455 192 F HN 0.152 nan 8.300 nan 0.000 0.520 193 D N 1.274 121.959 120.400 0.475 0.000 2.462 193 D HA 0.403 5.033 4.640 -0.017 0.000 0.245 193 D C -1.927 174.797 176.300 0.708 0.000 1.122 193 D CA -2.799 51.494 54.000 0.488 0.000 0.864 193 D CB 1.800 42.883 40.800 0.472 0.000 1.098 193 D HN 0.158 nan 8.370 nan 0.000 0.541 194 P HA -0.221 nan 4.420 nan 0.000 0.217 194 P C 1.497 179.085 177.300 0.480 0.000 1.151 194 P CA 0.634 64.085 63.100 0.585 0.000 0.849 194 P CB 0.197 32.107 31.700 0.350 0.000 0.787 195 V N -1.556 118.664 119.914 0.509 0.000 3.467 195 V HA -0.160 3.949 4.120 -0.017 0.000 0.275 195 V C 0.916 176.952 176.094 -0.097 0.000 1.230 195 V CA 1.334 63.743 62.300 0.181 0.000 1.196 195 V CB -1.973 29.811 31.823 -0.065 0.000 0.884 195 V HN 0.052 nan 8.190 nan 0.000 0.548 196 Y N -0.842 119.527 120.300 0.116 0.000 2.500 196 Y HA 0.427 4.967 4.550 -0.017 0.000 0.246 196 Y C 1.541 177.422 175.900 -0.031 0.000 1.146 196 Y CA -0.391 57.723 58.100 0.023 0.000 1.230 196 Y CB 0.749 39.233 38.460 0.041 0.000 1.214 196 Y HN 0.163 nan 8.280 nan 0.000 0.526 197 K N 0.296 120.782 120.400 0.142 0.000 2.506 197 K HA 0.275 4.585 4.320 -0.017 0.000 0.204 197 K C -0.247 176.491 176.600 0.230 0.000 1.045 197 K CA -0.109 56.303 56.287 0.209 0.000 1.074 197 K CB 0.380 32.932 32.500 0.086 0.000 0.842 197 K HN -0.066 nan 8.250 nan 0.000 0.514 198 V N 2.132 122.113 119.914 0.111 0.000 2.599 198 V HA 0.004 4.113 4.120 -0.017 0.000 0.300 198 V C 0.495 176.631 176.094 0.071 0.000 1.034 198 V CA 0.084 62.412 62.300 0.046 0.000 1.115 198 V CB 0.447 32.213 31.823 -0.095 0.000 0.934 198 V HN 0.154 nan 8.190 nan 0.000 0.485 199 K N 7.231 127.643 120.400 0.021 0.000 2.464 199 K HA 0.445 4.755 4.320 -0.017 0.000 0.252 199 K C -2.783 173.771 176.600 -0.078 0.000 1.000 199 K CA -1.921 54.356 56.287 -0.016 0.000 0.951 199 K CB 1.611 34.074 32.500 -0.061 0.000 1.183 199 K HN 0.349 nan 8.250 nan 0.000 0.445 200 P HA -0.002 nan 4.420 nan 0.000 0.268 200 P C -0.578 176.642 177.300 -0.135 0.000 1.205 200 P CA -0.250 62.769 63.100 -0.135 0.000 0.771 200 P CB 0.482 32.070 31.700 -0.185 0.000 0.858 201 N N 3.018 121.643 118.700 -0.125 0.000 2.148 201 N HA 0.009 4.739 4.740 -0.017 0.000 0.212 201 N C -2.249 173.168 175.510 -0.154 0.000 1.340 201 N CA -0.040 52.929 53.050 -0.134 0.000 0.882 201 N CB -0.885 37.514 38.487 -0.146 0.000 1.085 201 N HN 0.328 nan 8.380 nan 0.000 0.437 202 P HA 0.388 nan 4.420 nan 0.000 0.304 202 P C -2.599 174.633 177.300 -0.113 0.000 1.381 202 P CA -1.545 61.462 63.100 -0.156 0.000 0.995 202 P CB 1.130 32.752 31.700 -0.129 0.000 1.194 203 P HA -0.076 nan 4.420 nan 0.000 0.274 203 P C -0.213 177.175 177.300 0.148 0.000 1.209 203 P CA 1.292 64.370 63.100 -0.037 0.000 0.790 203 P CB 0.066 31.525 31.700 -0.401 0.000 0.834 204 H N -1.904 117.161 119.070 -0.008 0.000 2.838 204 H HA 0.155 4.701 4.556 -0.017 0.000 0.269 204 H C -0.751 174.661 175.328 0.140 0.000 1.463 204 H CA -0.721 55.360 56.048 0.055 0.000 1.141 204 H CB -0.377 29.411 29.762 0.043 0.000 1.821 204 H HN 0.290 nan 8.280 nan 0.000 0.544 205 N N -0.152 118.488 118.700 -0.099 0.000 2.629 205 N HA -0.192 4.538 4.740 -0.017 0.000 0.278 205 N C -0.786 174.720 175.510 -0.007 0.000 1.102 205 N CA 0.854 53.830 53.050 -0.123 0.000 0.759 205 N CB -1.055 37.244 38.487 -0.314 0.000 0.911 205 N HN 0.622 nan 8.380 nan 0.000 0.553 206 L N 0.445 121.713 121.223 0.076 0.000 2.334 206 L HA 0.745 5.075 4.340 -0.017 0.000 0.275 206 L C 0.181 177.118 176.870 0.112 0.000 1.036 206 L CA -0.620 54.307 54.840 0.146 0.000 0.807 206 L CB 1.924 44.066 42.059 0.139 0.000 1.231 206 L HN 0.364 nan 8.230 nan 0.000 0.438 207 S N 3.514 119.282 115.700 0.113 0.000 2.549 207 S HA 0.865 5.325 4.470 -0.017 0.000 0.280 207 S C -1.154 173.472 174.600 0.045 0.000 1.109 207 S CA -0.690 57.551 58.200 0.069 0.000 0.905 207 S CB 1.575 64.797 63.200 0.037 0.000 1.081 207 S HN 0.552 nan 8.310 nan 0.000 0.477 208 V N 2.680 122.621 119.914 0.045 0.000 2.513 208 V HA 0.737 4.846 4.120 -0.017 0.000 0.299 208 V C -0.690 175.412 176.094 0.014 0.000 1.035 208 V CA -0.642 61.660 62.300 0.003 0.000 0.889 208 V CB 0.566 32.447 31.823 0.097 0.000 0.988 208 V HN 0.914 nan 8.190 nan 0.000 0.440 209 I N 2.362 122.922 120.570 -0.016 0.000 3.466 209 I HA 0.717 4.877 4.170 -0.017 0.000 0.311 209 I C 0.375 176.490 176.117 -0.004 0.000 1.155 209 I CA -0.530 60.769 61.300 -0.002 0.000 0.959 209 I CB 1.834 39.827 38.000 -0.011 0.000 1.332 209 I HN 0.681 nan 8.210 nan 0.000 0.483 210 N N -0.528 118.173 118.700 0.001 0.000 2.316 210 N HA -0.054 4.676 4.740 -0.017 0.000 0.330 210 N C 0.577 176.091 175.510 0.007 0.000 0.973 210 N CA 0.546 53.600 53.050 0.008 0.000 0.895 210 N CB -0.560 37.944 38.487 0.029 0.000 2.211 210 N HN 0.661 nan 8.380 nan 0.000 0.955 211 S N 1.045 116.747 115.700 0.004 0.000 3.269 211 S HA -0.007 4.453 4.470 -0.017 0.000 0.252 211 S C 1.181 175.778 174.600 -0.004 0.000 1.087 211 S CA 0.471 58.672 58.200 0.002 0.000 1.242 211 S CB -0.819 62.381 63.200 0.000 0.000 1.044 211 S HN 0.453 nan 8.310 nan 0.000 0.482 212 E N 0.555 120.751 120.200 -0.006 0.000 2.190 212 E HA 0.166 4.506 4.350 -0.017 0.000 0.191 212 E C 0.600 177.199 176.600 -0.002 0.000 0.978 212 E CA 1.003 57.398 56.400 -0.009 0.000 0.839 212 E CB -0.039 29.651 29.700 -0.016 0.000 0.787 212 E HN 0.808 nan 8.360 nan 0.000 0.473 213 E N 0.040 120.244 120.200 0.006 0.000 2.265 213 E HA -0.129 4.210 4.350 -0.017 0.000 0.245 213 E C -0.788 175.821 176.600 0.014 0.000 1.150 213 E CA 0.748 57.156 56.400 0.014 0.000 0.720 213 E CB -2.227 27.480 29.700 0.012 0.000 1.245 213 E HN 0.119 nan 8.360 nan 0.000 0.403 214 L N 0.533 121.766 121.223 0.015 0.000 2.476 214 L HA 0.669 4.998 4.340 -0.017 0.000 0.269 214 L C 0.819 177.706 176.870 0.028 0.000 0.965 214 L CA 0.368 55.218 54.840 0.018 0.000 0.845 214 L CB 1.975 44.038 42.059 0.006 0.000 1.259 214 L HN 0.425 nan 8.230 nan 0.000 0.403 215 S N 1.281 117.007 115.700 0.042 0.000 2.558 215 S HA -0.077 4.383 4.470 -0.017 0.000 0.217 215 S C 1.612 176.253 174.600 0.068 0.000 0.975 215 S CA 0.775 59.015 58.200 0.066 0.000 0.912 215 S CB 0.251 63.500 63.200 0.081 0.000 0.776 215 S HN 0.769 nan 8.310 nan 0.000 0.526 216 S N 1.733 117.460 115.700 0.045 0.000 2.461 216 S HA 0.113 4.573 4.470 -0.017 0.000 0.228 216 S C 0.750 175.357 174.600 0.011 0.000 1.005 216 S CA -0.114 58.107 58.200 0.035 0.000 0.942 216 S CB -0.387 62.828 63.200 0.026 0.000 0.776 216 S HN 0.551 nan 8.310 nan 0.000 0.514 217 I N -0.393 120.182 120.570 0.008 0.000 2.689 217 I HA 0.635 4.794 4.170 -0.017 0.000 0.299 217 I C -1.426 174.692 176.117 0.001 0.000 1.059 217 I CA -1.199 60.096 61.300 -0.008 0.000 1.055 217 I CB 1.631 39.623 38.000 -0.013 0.000 1.243 217 I HN -0.013 nan 8.210 nan 0.000 0.425 218 L N 3.500 124.722 121.223 -0.002 0.000 2.267 218 L HA 0.711 5.041 4.340 -0.017 0.000 0.264 218 L C -0.175 176.657 176.870 -0.064 0.000 1.021 218 L CA -0.724 54.113 54.840 -0.005 0.000 0.861 218 L CB 0.544 42.638 42.059 0.058 0.000 1.443 218 L HN 0.828 nan 8.230 nan 0.000 0.475 219 K N -0.450 119.885 120.400 -0.109 0.000 2.571 219 K HA 0.804 5.114 4.320 -0.017 0.000 0.252 219 K C -1.870 174.639 176.600 -0.150 0.000 0.956 219 K CA -0.573 55.651 56.287 -0.106 0.000 0.822 219 K CB 1.370 33.836 32.500 -0.057 0.000 1.286 219 K HN 0.583 nan 8.250 nan 0.000 0.439 220 L N 0.878 121.994 121.223 -0.178 0.000 2.440 220 L HA 0.975 5.304 4.340 -0.017 0.000 0.262 220 L C 0.480 177.353 176.870 0.004 0.000 1.072 220 L CA 0.211 54.977 54.840 -0.123 0.000 0.798 220 L CB 0.875 42.797 42.059 -0.228 0.000 1.307 220 L HN 1.096 nan 8.230 nan 0.000 0.475 221 T N -4.306 110.322 114.554 0.123 0.000 2.669 221 T HA 0.595 4.935 4.350 -0.017 0.000 0.305 221 T C -0.666 174.122 174.700 0.147 0.000 1.838 221 T CA 0.789 62.808 62.100 -0.135 0.000 0.978 221 T CB 0.327 69.073 68.868 -0.203 0.000 1.851 221 T HN 2.675 nan 8.240 nan 0.000 0.503 222 W N -0.274 121.009 121.300 -0.028 0.000 4.464 222 W HA 0.575 5.225 4.660 -0.017 0.000 0.313 222 W C -1.695 174.783 176.519 -0.069 0.000 3.471 222 W CA 0.389 57.707 57.345 -0.045 0.000 1.149 222 W CB -0.469 28.992 29.460 0.002 0.000 2.105 222 W HN 1.138 nan 8.180 nan 0.000 0.354 223 T N 2.471 117.692 114.554 1.112 0.000 4.266 223 T HA 0.225 4.564 4.350 -0.017 0.000 0.368 223 T C -1.082 174.068 174.700 0.750 0.000 0.992 223 T CA -0.803 61.654 62.100 0.595 0.000 1.044 223 T CB 0.835 69.720 68.868 0.028 0.000 1.150 223 T HN 0.423 nan 8.240 nan 0.000 0.470 224 N N 2.781 121.825 118.700 0.572 0.000 2.326 224 N HA 0.398 5.127 4.740 -0.017 0.000 0.239 224 N C -2.521 173.128 175.510 0.232 0.000 1.301 224 N CA -1.200 52.098 53.050 0.413 0.000 0.909 224 N CB 0.348 39.048 38.487 0.356 0.000 1.156 224 N HN 0.312 nan 8.380 nan 0.000 0.462 225 P HA 0.249 nan 4.420 nan 0.000 0.286 225 P C 0.299 177.595 177.300 -0.006 0.000 1.261 225 P CA -0.394 62.701 63.100 -0.008 0.000 0.821 225 P CB 0.675 32.324 31.700 -0.085 0.000 1.013 226 S N 1.588 117.272 115.700 -0.027 0.000 2.448 226 S HA -0.272 4.187 4.470 -0.017 0.000 0.250 226 S C 1.537 176.130 174.600 -0.012 0.000 1.088 226 S CA 1.447 59.640 58.200 -0.011 0.000 1.058 226 S CB -1.239 61.945 63.200 -0.027 0.000 0.873 226 S HN 0.492 nan 8.310 nan 0.000 0.473 227 I N 2.142 122.689 120.570 -0.039 0.000 3.646 227 I HA 0.079 4.238 4.170 -0.017 0.000 0.301 227 I C 2.228 178.312 176.117 -0.055 0.000 1.276 227 I CA 0.698 61.961 61.300 -0.062 0.000 1.254 227 I CB -0.759 37.174 38.000 -0.112 0.000 1.020 227 I HN 0.316 nan 8.210 nan 0.000 0.473 228 K N 0.262 120.655 120.400 -0.012 0.000 2.242 228 K HA -0.182 4.127 4.320 -0.017 0.000 0.206 228 K C 1.379 177.979 176.600 0.000 0.000 1.045 228 K CA 1.910 58.206 56.287 0.015 0.000 0.930 228 K CB -1.533 31.002 32.500 0.058 0.000 0.726 228 K HN 0.637 nan 8.250 nan 0.000 0.462 229 S N -0.968 114.728 115.700 -0.006 0.000 2.457 229 S HA 0.490 4.950 4.470 -0.017 0.000 0.237 229 S C 0.433 175.037 174.600 0.006 0.000 1.213 229 S CA -0.029 58.175 58.200 0.008 0.000 1.218 229 S CB 0.332 63.546 63.200 0.023 0.000 0.922 229 S HN 0.444 nan 8.310 nan 0.000 0.488 230 V N -0.781 119.116 119.914 -0.029 0.000 3.415 230 V HA 0.276 4.386 4.120 -0.017 0.000 0.255 230 V C -0.058 175.990 176.094 -0.077 0.000 1.799 230 V CA 0.017 62.298 62.300 -0.032 0.000 1.041 230 V CB -0.846 30.877 31.823 -0.167 0.000 0.945 230 V HN 0.717 nan 8.190 nan 0.000 0.347 231 I N -1.669 118.826 120.570 -0.125 0.000 3.264 231 I HA 0.853 5.012 4.170 -0.017 0.000 0.315 231 I C -1.600 174.461 176.117 -0.093 0.000 1.154 231 I CA -1.334 59.880 61.300 -0.142 0.000 0.962 231 I CB 2.492 40.350 38.000 -0.235 0.000 1.265 231 I HN -0.084 nan 8.210 nan 0.000 0.463 232 I N 4.064 124.576 120.570 -0.096 0.000 2.390 232 I HA 0.386 4.546 4.170 -0.017 0.000 0.283 232 I C -0.531 175.559 176.117 -0.045 0.000 1.016 232 I CA -0.553 60.720 61.300 -0.045 0.000 1.151 232 I CB 0.843 38.821 38.000 -0.037 0.000 1.293 232 I HN 0.336 nan 8.210 nan 0.000 0.458 233 L N 5.851 127.082 121.223 0.013 0.000 2.485 233 L HA 0.272 4.601 4.340 -0.017 0.000 0.275 233 L C 0.497 177.451 176.870 0.141 0.000 1.207 233 L CA 0.187 55.024 54.840 -0.005 0.000 0.855 233 L CB -0.067 42.037 42.059 0.075 0.000 1.114 233 L HN 0.764 nan 8.230 nan 0.000 0.485 234 K N 2.206 122.572 120.400 -0.056 0.000 2.507 234 K HA 0.577 4.887 4.320 -0.017 0.000 0.251 234 K C -1.630 174.992 176.600 0.036 0.000 0.943 234 K CA -0.749 55.620 56.287 0.137 0.000 0.794 234 K CB 1.537 34.014 32.500 -0.039 0.000 1.188 234 K HN 0.182 nan 8.250 nan 0.000 0.428 235 Y N 0.828 121.142 120.300 0.023 0.000 2.650 235 Y HA 0.435 4.975 4.550 -0.017 0.000 0.331 235 Y C -0.373 175.700 175.900 0.290 0.000 1.082 235 Y CA -1.423 56.746 58.100 0.116 0.000 1.171 235 Y CB 2.056 40.561 38.460 0.075 0.000 1.326 235 Y HN 0.638 nan 8.280 nan 0.000 0.513 236 N N 0.154 119.147 118.700 0.489 0.000 2.577 236 N HA 0.501 5.230 4.740 -0.017 0.000 0.275 236 N C -0.994 174.664 175.510 0.248 0.000 1.091 236 N CA -0.328 52.923 53.050 0.336 0.000 0.843 236 N CB 1.443 40.109 38.487 0.299 0.000 1.295 236 N HN 0.619 nan 8.380 nan 0.000 0.530 237 I N 1.418 122.047 120.570 0.098 0.000 2.471 237 I HA 0.123 4.283 4.170 -0.017 0.000 0.294 237 I C 0.617 176.780 176.117 0.077 0.000 1.123 237 I CA 0.103 61.413 61.300 0.016 0.000 1.336 237 I CB -0.472 37.415 38.000 -0.188 0.000 1.430 237 I HN 0.560 nan 8.210 nan 0.000 0.533 238 Q N 4.147 123.933 119.800 -0.023 0.000 2.260 238 Q HA 0.773 5.103 4.340 -0.017 0.000 0.238 238 Q C -0.917 175.117 176.000 0.057 0.000 0.948 238 Q CA -0.172 55.569 55.803 -0.104 0.000 0.895 238 Q CB 1.776 30.109 28.738 -0.675 0.000 1.218 238 Q HN 1.017 nan 8.270 nan 0.000 0.470 239 Y N -1.722 118.635 120.300 0.095 0.000 2.583 239 Y HA 0.541 5.081 4.550 -0.017 0.000 0.330 239 Y C -1.597 174.539 175.900 0.393 0.000 1.185 239 Y CA -1.262 56.999 58.100 0.270 0.000 1.107 239 Y CB 0.831 39.349 38.460 0.097 0.000 1.344 239 Y HN 0.769 nan 8.280 nan 0.000 0.463 240 R N 0.484 121.016 120.500 0.055 0.000 2.844 240 R HA 0.722 5.052 4.340 -0.017 0.000 0.264 240 R C -1.575 174.586 176.300 -0.232 0.000 1.077 240 R CA -0.766 55.128 56.100 -0.343 0.000 0.953 240 R CB 1.502 31.438 30.300 -0.605 0.000 1.272 240 R HN 0.838 nan 8.270 nan 0.000 0.447 241 T N 0.482 114.838 114.554 -0.332 0.000 2.744 241 T HA 0.120 4.459 4.350 -0.017 0.000 0.291 241 T C 0.970 175.441 174.700 -0.381 0.000 0.957 241 T CA -0.423 61.406 62.100 -0.452 0.000 1.002 241 T CB 1.116 69.713 68.868 -0.451 0.000 0.919 241 T HN 0.721 nan 8.240 nan 0.000 0.468 242 K N 4.453 124.651 120.400 -0.337 0.000 2.162 242 K HA -0.246 4.064 4.320 -0.017 0.000 0.219 242 K C 0.257 176.710 176.600 -0.244 0.000 1.038 242 K CA 2.885 59.036 56.287 -0.227 0.000 0.946 242 K CB -0.610 31.795 32.500 -0.159 0.000 0.783 242 K HN 0.827 nan 8.250 nan 0.000 0.470 243 D N -0.789 119.470 120.400 -0.235 0.000 3.018 243 D HA 0.474 5.104 4.640 -0.017 0.000 0.331 243 D C -0.620 175.547 176.300 -0.222 0.000 1.334 243 D CA 0.049 53.927 54.000 -0.203 0.000 0.900 243 D CB 0.931 41.647 40.800 -0.141 0.000 1.059 243 D HN 0.420 nan 8.370 nan 0.000 0.498 244 A N 0.237 122.879 122.820 -0.296 0.000 2.282 244 A HA 0.689 4.999 4.320 -0.017 0.000 0.324 244 A C 1.009 178.393 177.584 -0.333 0.000 1.119 244 A CA -0.499 51.364 52.037 -0.289 0.000 0.880 244 A CB 1.225 20.032 19.000 -0.321 0.000 1.294 244 A HN 0.214 nan 8.150 nan 0.000 0.493 245 S N -1.500 114.025 115.700 -0.291 0.000 2.523 245 S HA 0.138 4.598 4.470 -0.017 0.000 0.217 245 S C 0.196 174.589 174.600 -0.345 0.000 0.996 245 S CA 0.623 58.647 58.200 -0.292 0.000 0.921 245 S CB -0.355 62.733 63.200 -0.185 0.000 0.829 245 S HN 0.924 nan 8.310 nan 0.000 0.495 246 T N 0.713 115.058 114.554 -0.348 0.000 2.821 246 T HA 0.451 4.791 4.350 -0.017 0.000 0.307 246 T C -0.832 173.692 174.700 -0.294 0.000 1.034 246 T CA -0.520 61.423 62.100 -0.261 0.000 0.953 246 T CB -0.106 68.658 68.868 -0.173 0.000 0.968 246 T HN 0.389 nan 8.240 nan 0.000 0.462 247 W N 2.831 124.005 121.300 -0.210 0.000 2.529 247 W HA 0.334 4.984 4.660 -0.017 0.000 0.319 247 W C 0.667 177.026 176.519 -0.268 0.000 1.362 247 W CA -0.535 56.649 57.345 -0.268 0.000 1.348 247 W CB 0.381 29.671 29.460 -0.284 0.000 1.403 247 W HN 0.542 nan 8.180 nan 0.000 0.519 248 S N 3.162 118.794 115.700 -0.113 0.000 2.572 248 S HA 0.107 4.567 4.470 -0.017 0.000 0.279 248 S C 0.368 174.975 174.600 0.012 0.000 1.341 248 S CA -0.492 57.611 58.200 -0.161 0.000 1.043 248 S CB 0.725 63.625 63.200 -0.501 0.000 0.887 248 S HN 0.458 nan 8.310 nan 0.000 0.516 249 Q N 0.824 120.691 119.800 0.113 0.000 2.427 249 Q HA 0.625 4.955 4.340 -0.017 0.000 0.232 249 Q C -0.756 175.398 176.000 0.256 0.000 1.018 249 Q CA -0.733 55.169 55.803 0.165 0.000 0.965 249 Q CB 1.198 29.987 28.738 0.086 0.000 1.232 249 Q HN 0.539 nan 8.270 nan 0.000 0.510 250 I N 2.238 122.916 120.570 0.181 0.000 2.548 250 I HA 0.218 4.378 4.170 -0.017 0.000 0.287 250 I C -2.382 173.820 176.117 0.141 0.000 1.103 250 I CA -2.126 59.267 61.300 0.155 0.000 1.049 250 I CB 2.184 40.228 38.000 0.074 0.000 1.232 250 I HN 0.344 nan 8.210 nan 0.000 0.429 251 P HA -0.101 nan 4.420 nan 0.000 0.251 251 P C -2.292 175.096 177.300 0.148 0.000 1.116 251 P CA -0.381 62.797 63.100 0.131 0.000 0.776 251 P CB -0.253 31.521 31.700 0.124 0.000 0.701 252 P HA -0.058 nan 4.420 nan 0.000 0.249 252 P C 1.107 178.500 177.300 0.154 0.000 1.229 252 P CA 0.817 64.021 63.100 0.174 0.000 0.788 252 P CB 0.080 31.896 31.700 0.193 0.000 1.072 253 E N -0.665 119.609 120.200 0.123 0.000 2.481 253 E HA -0.064 4.276 4.350 -0.017 0.000 0.195 253 E C 0.321 176.985 176.600 0.107 0.000 1.047 253 E CA 0.722 57.183 56.400 0.102 0.000 0.867 253 E CB -0.641 29.105 29.700 0.076 0.000 0.858 253 E HN 0.158 nan 8.360 nan 0.000 0.513 254 D N 1.256 121.739 120.400 0.139 0.000 2.339 254 D HA 0.020 4.650 4.640 -0.017 0.000 0.217 254 D C -0.204 176.246 176.300 0.250 0.000 1.050 254 D CA 0.719 54.821 54.000 0.169 0.000 0.856 254 D CB 0.571 41.489 40.800 0.198 0.000 0.922 254 D HN 0.203 nan 8.370 nan 0.000 0.518 255 T N -2.097 112.587 114.554 0.217 0.000 3.133 255 T HA 0.698 5.038 4.350 -0.017 0.000 0.368 255 T C 0.444 175.258 174.700 0.189 0.000 1.190 255 T CA -0.720 61.505 62.100 0.208 0.000 1.282 255 T CB 1.278 70.269 68.868 0.203 0.000 1.042 255 T HN -0.113 nan 8.240 nan 0.000 0.536 256 A N 2.141 125.042 122.820 0.135 0.000 2.127 256 A HA 0.666 4.975 4.320 -0.017 0.000 0.204 256 A C 0.827 178.480 177.584 0.115 0.000 1.243 256 A CA -0.097 52.013 52.037 0.121 0.000 0.887 256 A CB 0.371 19.421 19.000 0.084 0.000 0.933 256 A HN 0.803 nan 8.150 nan 0.000 0.479 257 S N 0.129 115.889 115.700 0.102 0.000 2.572 257 S HA 0.487 4.947 4.470 -0.017 0.000 0.274 257 S C -0.449 174.224 174.600 0.122 0.000 1.150 257 S CA -0.438 57.825 58.200 0.105 0.000 0.944 257 S CB 0.932 64.162 63.200 0.049 0.000 1.071 257 S HN 0.410 nan 8.310 nan 0.000 0.479 258 T N 2.985 117.672 114.554 0.222 0.000 2.399 258 T HA -0.099 4.241 4.350 -0.017 0.000 0.208 258 T C 0.101 174.857 174.700 0.093 0.000 0.988 258 T CA 1.137 63.378 62.100 0.234 0.000 1.298 258 T CB -0.474 68.473 68.868 0.132 0.000 0.999 258 T HN 1.113 nan 8.240 nan 0.000 0.400 259 R N -0.816 119.745 120.500 0.101 0.000 3.176 259 R HA 0.507 4.837 4.340 -0.017 0.000 0.284 259 R C 0.030 176.264 176.300 -0.110 0.000 0.985 259 R CA -0.235 55.836 56.100 -0.049 0.000 0.853 259 R CB 0.026 30.247 30.300 -0.132 0.000 1.309 259 R HN 0.742 nan 8.270 nan 0.000 0.528 260 S N 0.134 115.611 115.700 -0.371 0.000 2.559 260 S HA 0.219 4.679 4.470 -0.017 0.000 0.226 260 S C 0.616 174.454 174.600 -1.271 0.000 1.030 260 S CA 0.562 58.295 58.200 -0.778 0.000 0.956 260 S CB 0.455 63.410 63.200 -0.408 0.000 0.900 260 S HN 0.762 nan 8.310 nan 0.000 0.510 261 S N -0.374 114.831 115.700 -0.824 0.000 2.788 261 S HA 0.906 5.365 4.470 -0.017 0.000 0.291 261 S C -0.871 173.543 174.600 -0.310 0.000 1.061 261 S CA -0.378 57.453 58.200 -0.615 0.000 0.923 261 S CB 1.095 64.101 63.200 -0.323 0.000 1.339 261 S HN 1.222 nan 8.310 nan 0.000 0.591 262 F N 0.215 120.003 119.950 -0.271 0.000 2.510 262 F HA 0.173 4.690 4.527 -0.017 0.000 0.309 262 F C -1.259 174.468 175.800 -0.121 0.000 1.012 262 F CA -0.123 57.794 58.000 -0.137 0.000 0.829 262 F CB -0.429 38.548 39.000 -0.038 0.000 2.352 262 F HN 0.852 nan 8.300 nan 0.000 0.467 263 T N 4.002 118.743 114.554 0.312 0.000 2.771 263 T HA 0.822 5.162 4.350 -0.017 0.000 0.281 263 T C -0.231 174.727 174.700 0.431 0.000 0.982 263 T CA -0.041 62.176 62.100 0.195 0.000 0.978 263 T CB 1.164 69.996 68.868 -0.061 0.000 0.930 263 T HN 1.283 nan 8.240 nan 0.000 0.447 264 V N 3.519 123.601 119.914 0.280 0.000 2.743 264 V HA 0.833 4.943 4.120 -0.017 0.000 0.301 264 V C -0.064 176.050 176.094 0.034 0.000 1.057 264 V CA -1.126 61.278 62.300 0.173 0.000 1.006 264 V CB 1.255 33.020 31.823 -0.097 0.000 1.024 264 V HN 1.203 nan 8.190 nan 0.000 0.473 265 Q N 1.840 121.646 119.800 0.009 0.000 2.565 265 Q HA 0.564 4.894 4.340 -0.017 0.000 0.294 265 Q C -0.214 175.784 176.000 -0.004 0.000 1.005 265 Q CA -0.004 55.796 55.803 -0.005 0.000 0.771 265 Q CB 1.859 30.597 28.738 -0.000 0.000 1.486 265 Q HN 1.017 nan 8.270 nan 0.000 0.422 266 D N -0.355 120.048 120.400 0.005 0.000 3.068 266 D HA -0.141 4.489 4.640 -0.017 0.000 0.218 266 D C -1.043 175.276 176.300 0.032 0.000 1.145 266 D CA 0.341 54.355 54.000 0.024 0.000 0.896 266 D CB -0.427 40.394 40.800 0.035 0.000 1.105 266 D HN 0.456 nan 8.370 nan 0.000 0.423 267 L N 0.298 121.513 121.223 -0.013 0.000 2.472 267 L HA 0.389 4.719 4.340 -0.017 0.000 0.260 267 L C 1.775 178.707 176.870 0.104 0.000 1.209 267 L CA 0.848 55.665 54.840 -0.038 0.000 0.817 267 L CB -0.049 41.790 42.059 -0.366 0.000 1.106 267 L HN 0.362 nan 8.230 nan 0.000 0.479 268 K N 2.828 123.390 120.400 0.270 0.000 2.380 268 K HA 0.329 4.638 4.320 -0.017 0.000 0.267 268 K C -2.448 174.324 176.600 0.287 0.000 0.990 268 K CA -0.974 55.475 56.287 0.270 0.000 0.946 268 K CB -0.924 31.761 32.500 0.307 0.000 0.937 268 K HN 0.486 nan 8.250 nan 0.000 0.491 269 P HA 0.353 nan 4.420 nan 0.000 0.285 269 P C -0.272 177.238 177.300 0.350 0.000 1.269 269 P CA -0.799 62.444 63.100 0.238 0.000 0.844 269 P CB 0.311 32.119 31.700 0.180 0.000 1.094 270 F N 0.214 120.241 119.950 0.128 0.000 2.446 270 F HA -0.220 4.296 4.527 -0.017 0.000 0.184 270 F C -1.161 174.712 175.800 0.123 0.000 1.033 270 F CA 0.969 59.039 58.000 0.116 0.000 0.845 270 F CB -1.929 37.120 39.000 0.082 0.000 0.779 270 F HN 0.267 nan 8.300 nan 0.000 0.829 271 T N 2.505 117.292 114.554 0.389 0.000 2.831 271 T HA 0.395 4.735 4.350 -0.017 0.000 0.287 271 T C -0.589 174.168 174.700 0.094 0.000 1.070 271 T CA -0.934 61.311 62.100 0.243 0.000 1.010 271 T CB 2.104 71.018 68.868 0.077 0.000 1.264 271 T HN 0.351 nan 8.240 nan 0.000 0.532 272 E N 0.259 120.422 120.200 -0.061 0.000 2.174 272 E HA 0.438 4.778 4.350 -0.017 0.000 0.282 272 E C -1.467 175.003 176.600 -0.217 0.000 0.992 272 E CA -0.340 56.026 56.400 -0.056 0.000 0.803 272 E CB 0.672 30.337 29.700 -0.058 0.000 1.090 272 E HN 0.507 nan 8.360 nan 0.000 0.396 273 Y N 1.357 121.661 120.300 0.006 0.000 2.630 273 Y HA 0.573 5.113 4.550 -0.017 0.000 0.337 273 Y C -0.385 175.455 175.900 -0.101 0.000 1.051 273 Y CA -0.880 57.160 58.100 -0.100 0.000 1.121 273 Y CB 2.103 40.467 38.460 -0.160 0.000 1.299 273 Y HN 0.161 nan 8.280 nan 0.000 0.498 274 V N 2.523 122.393 119.914 -0.072 0.000 2.653 274 V HA 0.342 4.452 4.120 -0.017 0.000 0.298 274 V C -1.323 174.889 176.094 0.198 0.000 1.097 274 V CA -1.009 61.349 62.300 0.096 0.000 0.908 274 V CB 1.055 32.941 31.823 0.104 0.000 1.024 274 V HN 0.525 nan 8.190 nan 0.000 0.435 275 F N 3.923 124.080 119.950 0.344 0.000 2.572 275 F HA 0.925 5.442 4.527 -0.017 0.000 0.342 275 F C 0.373 176.191 175.800 0.031 0.000 1.064 275 F CA -0.794 57.355 58.000 0.247 0.000 1.008 275 F CB 1.638 40.736 39.000 0.164 0.000 1.303 275 F HN 0.522 nan 8.300 nan 0.000 0.492 276 R N 1.445 121.970 120.500 0.042 0.000 2.739 276 R HA 0.591 4.920 4.340 -0.017 0.000 0.266 276 R C -2.607 173.659 176.300 -0.057 0.000 1.044 276 R CA -0.600 55.448 56.100 -0.087 0.000 0.885 276 R CB 1.769 31.850 30.300 -0.364 0.000 1.260 276 R HN 0.718 nan 8.270 nan 0.000 0.477 277 I N 1.305 121.930 120.570 0.091 0.000 2.969 277 I HA 0.668 4.827 4.170 -0.017 0.000 0.307 277 I C -1.406 174.892 176.117 0.301 0.000 1.149 277 I CA -0.981 60.438 61.300 0.198 0.000 1.008 277 I CB 2.299 40.243 38.000 -0.093 0.000 1.232 277 I HN 0.907 nan 8.210 nan 0.000 0.435 278 R N 5.262 125.857 120.500 0.158 0.000 2.725 278 R HA 0.849 5.179 4.340 -0.017 0.000 0.277 278 R C -1.267 174.992 176.300 -0.069 0.000 0.987 278 R CA -0.610 55.330 56.100 -0.267 0.000 0.901 278 R CB 1.298 30.964 30.300 -1.057 0.000 1.207 278 R HN 0.851 nan 8.270 nan 0.000 0.463 279 C N 1.260 120.394 119.300 -0.276 0.000 3.154 279 C HA 0.964 5.414 4.460 -0.017 0.000 0.312 279 C C -0.283 174.346 174.990 -0.602 0.000 1.349 279 C CA -0.831 57.834 59.018 -0.588 0.000 1.518 279 C CB 1.286 28.355 27.740 -1.119 0.000 1.934 279 C HN 1.194 nan 8.230 nan 0.000 0.462 280 M N -0.268 118.826 119.600 -0.843 0.000 3.604 280 M HA 0.541 5.011 4.480 -0.017 0.000 0.301 280 M C -1.018 174.913 176.300 -0.616 0.000 1.414 280 M CA -0.735 54.127 55.300 -0.731 0.000 0.860 280 M CB 0.968 32.940 32.600 -1.046 0.000 1.797 280 M HN 0.723 nan 8.290 nan 0.000 0.489 281 K N 1.643 121.755 120.400 -0.480 0.000 2.401 281 K HA 0.018 4.328 4.320 -0.017 0.000 0.278 281 K C 0.946 177.374 176.600 -0.287 0.000 1.018 281 K CA 0.230 56.317 56.287 -0.334 0.000 0.981 281 K CB 0.768 33.092 32.500 -0.294 0.000 0.933 281 K HN 0.791 nan 8.250 nan 0.000 0.477 282 E N 3.906 123.993 120.200 -0.187 0.000 2.110 282 E HA -0.359 3.981 4.350 -0.017 0.000 0.225 282 E C 0.812 177.347 176.600 -0.108 0.000 1.063 282 E CA 2.711 59.042 56.400 -0.115 0.000 0.906 282 E CB -0.156 29.507 29.700 -0.061 0.000 0.795 282 E HN 0.868 nan 8.360 nan 0.000 0.479 283 D N -1.356 118.990 120.400 -0.091 0.000 2.077 283 D HA -0.095 4.535 4.640 -0.017 0.000 0.196 283 D C 1.658 177.925 176.300 -0.056 0.000 0.986 283 D CA 1.795 55.768 54.000 -0.046 0.000 0.829 283 D CB -0.365 40.428 40.800 -0.011 0.000 0.983 283 D HN 0.509 nan 8.370 nan 0.000 0.453 284 G N -0.325 108.412 108.800 -0.104 0.000 3.288 284 G HA2 -0.124 3.825 3.960 -0.017 0.000 0.219 284 G HA3 -0.124 3.825 3.960 -0.017 0.000 0.219 284 G C -0.071 174.772 174.900 -0.096 0.000 0.944 284 G CA -0.465 44.575 45.100 -0.099 0.000 0.854 284 G HN 0.196 nan 8.290 nan 0.000 0.632 285 K N 1.461 121.812 120.400 -0.082 0.000 2.142 285 K HA 0.530 4.840 4.320 -0.017 0.000 0.250 285 K C 0.367 176.901 176.600 -0.111 0.000 1.148 285 K CA 0.541 56.806 56.287 -0.037 0.000 1.040 285 K CB 0.490 33.070 32.500 0.133 0.000 1.569 285 K HN 0.886 nan 8.250 nan 0.000 0.361 286 G N 1.716 110.366 108.800 -0.249 0.000 2.351 286 G HA2 -0.079 3.870 3.960 -0.017 0.000 0.472 286 G HA3 -0.079 3.870 3.960 -0.017 0.000 0.472 286 G C -1.333 173.362 174.900 -0.341 0.000 1.570 286 G CA -1.213 43.676 45.100 -0.351 0.000 0.921 286 G HN 0.250 nan 8.290 nan 0.000 0.674 287 Y N -0.186 120.079 120.300 -0.058 0.000 2.597 287 Y HA 0.434 4.973 4.550 -0.017 0.000 0.336 287 Y C 1.078 176.954 175.900 -0.040 0.000 1.216 287 Y CA -0.152 57.947 58.100 -0.003 0.000 1.463 287 Y CB 0.406 38.853 38.460 -0.021 0.000 1.303 287 Y HN 0.606 nan 8.280 nan 0.000 0.576 288 W N 1.402 122.674 121.300 -0.047 0.000 2.086 288 W HA 0.438 5.088 4.660 -0.017 0.000 0.355 288 W C 0.267 176.663 176.519 -0.204 0.000 1.313 288 W CA -0.191 57.053 57.345 -0.168 0.000 1.358 288 W CB 0.496 29.817 29.460 -0.232 0.000 1.166 288 W HN 0.586 nan 8.180 nan 0.000 0.630 289 S N -0.375 115.309 115.700 -0.026 0.000 2.766 289 S HA 0.452 4.912 4.470 -0.017 0.000 0.307 289 S C -0.677 173.719 174.600 -0.340 0.000 1.121 289 S CA -1.145 56.955 58.200 -0.166 0.000 0.980 289 S CB 1.330 64.413 63.200 -0.194 0.000 1.159 289 S HN 0.377 nan 8.310 nan 0.000 0.546 290 D N -0.167 120.061 120.400 -0.287 0.000 2.354 290 D HA 0.230 4.859 4.640 -0.017 0.000 0.247 290 D C -0.774 175.322 176.300 -0.339 0.000 1.138 290 D CA -0.063 53.745 54.000 -0.320 0.000 0.958 290 D CB 0.489 41.211 40.800 -0.130 0.000 1.144 290 D HN 0.575 nan 8.370 nan 0.000 0.458 291 W N 0.913 122.173 121.300 -0.066 0.000 2.218 291 W HA 0.164 4.814 4.660 -0.017 0.000 0.326 291 W C 1.105 177.581 176.519 -0.073 0.000 1.276 291 W CA -0.627 56.660 57.345 -0.096 0.000 1.210 291 W CB 0.292 29.668 29.460 -0.139 0.000 1.143 291 W HN 0.141 nan 8.180 nan 0.000 0.563 292 S N 1.509 117.298 115.700 0.148 0.000 2.589 292 S HA 0.117 4.577 4.470 -0.017 0.000 0.265 292 S C 0.360 175.028 174.600 0.113 0.000 1.342 292 S CA -0.941 57.310 58.200 0.085 0.000 1.005 292 S CB 0.672 63.891 63.200 0.032 0.000 0.909 292 S HN 0.573 nan 8.310 nan 0.000 0.555 293 E N 1.086 121.348 120.200 0.102 0.000 2.617 293 E HA 0.198 4.538 4.350 -0.017 0.000 0.269 293 E C 0.785 177.449 176.600 0.107 0.000 1.384 293 E CA 0.841 57.303 56.400 0.103 0.000 1.195 293 E CB 0.019 29.777 29.700 0.097 0.000 0.975 293 E HN 0.877 nan 8.360 nan 0.000 0.516 294 E N -0.646 119.625 120.200 0.119 0.000 2.222 294 E HA 0.636 4.976 4.350 -0.017 0.000 0.267 294 E C -0.836 175.863 176.600 0.165 0.000 0.963 294 E CA -0.325 56.163 56.400 0.146 0.000 0.837 294 E CB 1.791 31.608 29.700 0.195 0.000 1.183 294 E HN 0.616 nan 8.360 nan 0.000 0.403 295 A N 0.684 123.635 122.820 0.218 0.000 2.413 295 A HA 0.777 5.087 4.320 -0.017 0.000 0.307 295 A C 0.365 178.125 177.584 0.292 0.000 1.087 295 A CA -0.076 52.093 52.037 0.221 0.000 0.750 295 A CB 1.836 20.956 19.000 0.201 0.000 1.296 295 A HN 0.584 nan 8.150 nan 0.000 0.423 296 S N -0.730 115.108 115.700 0.231 0.000 2.666 296 S HA 0.869 5.328 4.470 -0.017 0.000 0.230 296 S C 0.402 175.177 174.600 0.291 0.000 1.146 296 S CA 0.435 58.776 58.200 0.235 0.000 1.162 296 S CB 0.783 64.065 63.200 0.137 0.000 1.085 296 S HN 2.431 nan 8.310 nan 0.000 0.514 297 G N 0.585 109.511 108.800 0.209 0.000 2.764 297 G HA2 0.089 4.039 3.960 -0.017 0.000 0.678 297 G HA3 0.089 4.039 3.960 -0.017 0.000 0.678 297 G C -0.692 174.327 174.900 0.199 0.000 1.341 297 G CA -0.381 44.843 45.100 0.205 0.000 0.836 297 G HN 0.766 nan 8.290 nan 0.000 0.632 298 I N -1.040 119.595 120.570 0.108 0.000 3.842 298 I HA 0.969 5.128 4.170 -0.017 0.000 0.273 298 I C 0.641 176.826 176.117 0.112 0.000 1.348 298 I CA -0.414 60.918 61.300 0.055 0.000 0.948 298 I CB 1.818 39.740 38.000 -0.129 0.000 1.534 298 I HN 0.845 nan 8.210 nan 0.000 0.656 299 T N -2.814 111.786 114.554 0.076 0.000 2.888 299 T HA 0.560 4.899 4.350 -0.017 0.000 0.288 299 T C 0.205 174.946 174.700 0.067 0.000 1.063 299 T CA -0.251 61.915 62.100 0.109 0.000 1.010 299 T CB 0.372 69.355 68.868 0.193 0.000 1.214 299 T HN 0.813 nan 8.240 nan 0.000 0.533 300 Y N 0.276 120.626 120.300 0.083 0.000 2.178 300 Y HA 0.246 4.785 4.550 -0.017 0.000 0.364 300 Y C 1.345 177.333 175.900 0.146 0.000 1.240 300 Y CA 0.312 58.461 58.100 0.082 0.000 1.609 300 Y CB -0.573 37.932 38.460 0.076 0.000 1.365 300 Y HN 0.956 nan 8.280 nan 0.000 0.737 301 E N -0.365 119.933 120.200 0.164 0.000 2.797 301 E HA 0.268 4.608 4.350 -0.017 0.000 0.315 301 E C -0.503 176.204 176.600 0.177 0.000 0.666 301 E CA 1.080 57.639 56.400 0.266 0.000 1.587 301 E CB -0.142 29.701 29.700 0.238 0.000 1.775 301 E HN 0.735 nan 8.360 nan 0.000 0.522 302 D N -0.079 120.390 120.400 0.115 0.000 6.886 302 D HA -0.098 4.532 4.640 -0.017 0.000 0.236 302 D C -1.107 175.227 176.300 0.057 0.000 1.961 302 D CA 0.034 54.083 54.000 0.080 0.000 1.809 302 D CB -0.082 40.774 40.800 0.093 0.000 0.666 302 D HN 0.069 nan 8.370 nan 0.000 0.371 303 R N 3.459 123.979 120.500 0.034 0.000 2.492 303 R HA 0.087 4.416 4.340 -0.017 0.000 0.272 303 R C -1.746 174.559 176.300 0.008 0.000 0.965 303 R CA 0.375 56.483 56.100 0.013 0.000 1.093 303 R CB 0.082 30.386 30.300 0.007 0.000 0.868 303 R HN 0.289 nan 8.270 nan 0.000 0.425 304 P HA -0.003 nan 4.420 nan 0.000 0.267 304 P C -0.889 176.405 177.300 -0.010 0.000 1.209 304 P CA 0.156 63.240 63.100 -0.027 0.000 0.763 304 P CB 0.969 32.633 31.700 -0.060 0.000 0.816 305 S N 1.485 117.190 115.700 0.009 0.000 2.426 305 S HA 0.613 5.073 4.470 -0.017 0.000 0.236 305 S C -0.125 174.489 174.600 0.025 0.000 1.368 305 S CA -0.342 57.873 58.200 0.025 0.000 1.154 305 S CB -0.453 62.780 63.200 0.056 0.000 1.037 305 S HN 0.773 nan 8.310 nan 0.000 0.481 306 K N 0.231 120.635 120.400 0.006 0.000 1.905 306 K HA 0.518 4.827 4.320 -0.017 0.000 1.037 306 K C 0.231 176.825 176.600 -0.010 0.000 0.918 306 K CA -0.024 56.265 56.287 0.004 0.000 0.912 306 K CB -2.174 30.339 32.500 0.022 0.000 3.495 306 K HN 2.368 nan 8.250 nan 0.000 0.108 307 A N 2.686 125.495 122.820 -0.018 0.000 2.610 307 A HA 0.209 4.518 4.320 -0.017 0.000 0.271 307 A C -1.435 176.147 177.584 -0.003 0.000 1.829 307 A CA 1.433 53.456 52.037 -0.024 0.000 1.971 307 A CB -0.621 18.374 19.000 -0.008 0.000 1.203 307 A HN 1.149 nan 8.150 nan 0.000 0.520 308 P HA 0.487 nan 4.420 nan 0.000 0.284 308 P C -0.313 177.043 177.300 0.094 0.000 1.287 308 P CA -0.632 62.520 63.100 0.085 0.000 0.824 308 P CB 1.203 32.990 31.700 0.145 0.000 1.180 309 S N 0.185 115.977 115.700 0.154 0.000 2.537 309 S HA 0.588 5.048 4.470 -0.017 0.000 0.275 309 S C -1.063 173.872 174.600 0.559 0.000 1.272 309 S CA -0.020 58.292 58.200 0.187 0.000 1.050 309 S CB -0.630 62.526 63.200 -0.074 0.000 0.961 309 S HN 0.219 nan 8.310 nan 0.000 0.496 310 F N 3.731 123.923 119.950 0.404 0.000 2.578 310 F HA 0.698 5.214 4.527 -0.017 0.000 0.311 310 F C -0.788 175.408 175.800 0.660 0.000 1.094 310 F CA -1.609 56.702 58.000 0.518 0.000 0.923 310 F CB 1.301 40.478 39.000 0.296 0.000 1.230 310 F HN 0.753 nan 8.300 nan 0.000 0.450 311 W N 5.190 126.614 121.300 0.207 0.000 3.057 311 W HA 0.384 5.034 4.660 -0.017 0.000 0.328 311 W C -1.788 174.600 176.519 -0.220 0.000 1.232 311 W CA -1.031 56.260 57.345 -0.090 0.000 1.187 311 W CB 1.742 31.062 29.460 -0.232 0.000 1.417 311 W HN 0.491 nan 8.180 nan 0.000 0.569 312 Y N -0.122 119.913 120.300 -0.441 0.000 2.562 312 Y HA 0.908 5.448 4.550 -0.017 0.000 0.343 312 Y C -0.590 174.932 175.900 -0.631 0.000 1.025 312 Y CA -1.102 56.698 58.100 -0.499 0.000 1.082 312 Y CB 0.406 38.595 38.460 -0.452 0.000 1.264 312 Y HN 0.380 nan 8.280 nan 0.000 0.478 313 K N 1.384 121.491 120.400 -0.489 0.000 2.340 313 K HA 0.834 5.144 4.320 -0.017 0.000 0.244 313 K C -1.579 174.875 176.600 -0.243 0.000 0.973 313 K CA -0.310 55.683 56.287 -0.491 0.000 0.828 313 K CB 1.897 34.178 32.500 -0.364 0.000 1.226 313 K HN 1.034 nan 8.250 nan 0.000 0.437 314 I N 1.358 121.803 120.570 -0.209 0.000 2.931 314 I HA 0.175 4.335 4.170 -0.017 0.000 0.322 314 I C -0.359 175.728 176.117 -0.051 0.000 1.446 314 I CA -0.229 61.030 61.300 -0.068 0.000 0.825 314 I CB 0.323 38.320 38.000 -0.004 0.000 2.195 314 I HN 0.846 nan 8.210 nan 0.000 0.608 315 D N 4.487 124.854 120.400 -0.056 0.000 3.184 315 D HA -0.159 4.471 4.640 -0.017 0.000 0.193 315 D C -1.995 174.303 176.300 -0.003 0.000 1.050 315 D CA 0.055 54.036 54.000 -0.032 0.000 0.735 315 D CB 0.828 41.612 40.800 -0.026 0.000 1.142 315 D HN 0.238 nan 8.370 nan 0.000 0.515 316 P HA 0.043 nan 4.420 nan 0.000 0.248 316 P C -0.498 176.827 177.300 0.041 0.000 1.550 316 P CA 0.085 63.194 63.100 0.014 0.000 1.252 316 P CB -0.243 31.461 31.700 0.007 0.000 1.869 317 S N 1.570 117.301 115.700 0.053 0.000 3.626 317 S HA -0.288 4.171 4.470 -0.017 0.000 0.710 317 S C 0.897 175.575 174.600 0.130 0.000 1.285 317 S CA 0.593 58.845 58.200 0.086 0.000 0.824 317 S CB -0.016 63.226 63.200 0.070 0.000 0.812 317 S HN 0.599 nan 8.310 nan 0.000 0.364 318 H N 2.628 121.718 119.070 0.034 0.000 2.343 318 H HA 0.251 4.796 4.556 -0.017 0.000 0.322 318 H C 1.402 176.735 175.328 0.008 0.000 1.194 318 H CA 0.808 56.870 56.048 0.023 0.000 1.780 318 H CB -0.286 29.496 29.762 0.034 0.000 1.521 318 H HN 0.860 nan 8.280 nan 0.000 0.638 319 T N 2.594 117.131 114.554 -0.029 0.000 3.414 319 T HA 0.150 4.490 4.350 -0.017 0.000 0.304 319 T C -0.118 174.514 174.700 -0.114 0.000 1.241 319 T CA -0.673 61.341 62.100 -0.143 0.000 1.076 319 T CB -0.884 67.894 68.868 -0.151 0.000 1.134 319 T HN 0.354 nan 8.240 nan 0.000 0.759 320 Q N 1.124 120.874 119.800 -0.084 0.000 2.345 320 Q HA 0.140 4.470 4.340 -0.017 0.000 0.292 320 Q C 0.973 176.952 176.000 -0.034 0.000 1.167 320 Q CA 1.071 56.845 55.803 -0.048 0.000 0.995 320 Q CB -1.767 26.936 28.738 -0.058 0.000 1.125 320 Q HN 1.186 nan 8.270 nan 0.000 0.304 321 G N -0.285 108.533 108.800 0.031 0.000 2.535 321 G HA2 -0.166 3.784 3.960 -0.017 0.000 0.095 321 G HA3 -0.166 3.784 3.960 -0.017 0.000 0.095 321 G C -0.857 174.178 174.900 0.225 0.000 2.409 321 G CA -0.412 44.740 45.100 0.087 0.000 1.254 321 G HN 0.332 nan 8.290 nan 0.000 0.367 322 Y N 2.338 122.665 120.300 0.046 0.000 2.993 322 Y HA 0.398 4.938 4.550 -0.017 0.000 0.340 322 Y C 1.209 177.144 175.900 0.058 0.000 1.273 322 Y CA 0.658 58.794 58.100 0.059 0.000 1.545 322 Y CB -0.077 38.420 38.460 0.062 0.000 1.275 322 Y HN 0.826 nan 8.280 nan 0.000 0.617 323 R N 1.799 122.416 120.500 0.195 0.000 2.435 323 R HA 0.510 4.840 4.340 -0.017 0.000 0.308 323 R C -0.051 176.298 176.300 0.082 0.000 0.975 323 R CA -0.745 55.430 56.100 0.126 0.000 0.867 323 R CB 0.170 30.526 30.300 0.095 0.000 1.171 323 R HN 0.670 nan 8.270 nan 0.000 0.470 324 T N 0.957 115.562 114.554 0.086 0.000 2.855 324 T HA 0.342 4.682 4.350 -0.017 0.000 0.322 324 T C -0.199 174.503 174.700 0.003 0.000 1.088 324 T CA 0.357 62.478 62.100 0.036 0.000 1.104 324 T CB 0.955 69.835 68.868 0.020 0.000 0.996 324 T HN 0.671 nan 8.240 nan 0.000 0.549 325 V N 3.454 123.353 119.914 -0.026 0.000 2.610 325 V HA 0.270 4.380 4.120 -0.017 0.000 0.298 325 V C -0.943 175.136 176.094 -0.025 0.000 1.067 325 V CA -0.728 61.555 62.300 -0.028 0.000 0.894 325 V CB 1.966 33.740 31.823 -0.081 0.000 1.015 325 V HN 0.773 nan 8.190 nan 0.000 0.432 326 Q N 5.873 125.659 119.800 -0.024 0.000 2.389 326 Q HA 0.410 4.740 4.340 -0.017 0.000 0.244 326 Q C -0.700 175.288 176.000 -0.021 0.000 1.056 326 Q CA -0.072 55.706 55.803 -0.042 0.000 0.908 326 Q CB 1.220 29.902 28.738 -0.093 0.000 1.273 326 Q HN 0.637 nan 8.270 nan 0.000 0.471 327 L N 3.258 124.506 121.223 0.041 0.000 2.349 327 L HA 0.483 4.813 4.340 -0.017 0.000 0.275 327 L C 0.199 177.161 176.870 0.152 0.000 1.115 327 L CA -0.562 54.363 54.840 0.143 0.000 0.820 327 L CB 1.040 43.280 42.059 0.302 0.000 1.135 327 L HN 0.311 nan 8.230 nan 0.000 0.445 328 V N 1.179 121.203 119.914 0.184 0.000 3.000 328 V HA 0.689 4.799 4.120 -0.017 0.000 0.300 328 V C -1.842 174.511 176.094 0.431 0.000 1.251 328 V CA -0.607 61.718 62.300 0.042 0.000 0.972 328 V CB 1.779 33.497 31.823 -0.175 0.000 1.065 328 V HN 0.888 nan 8.190 nan 0.000 0.431 329 W N 2.387 123.872 121.300 0.307 0.000 3.031 329 W HA 0.860 5.509 4.660 -0.017 0.000 0.337 329 W C -0.853 175.778 176.519 0.186 0.000 1.187 329 W CA -0.941 56.645 57.345 0.402 0.000 1.166 329 W CB 1.305 30.911 29.460 0.244 0.000 1.437 329 W HN 0.676 nan 8.180 nan 0.000 0.551 330 K N 0.522 121.092 120.400 0.283 0.000 2.209 330 K HA 0.578 4.887 4.320 -0.017 0.000 0.238 330 K C -0.497 176.125 176.600 0.037 0.000 1.028 330 K CA -0.793 55.519 56.287 0.042 0.000 0.935 330 K CB 1.079 33.517 32.500 -0.103 0.000 1.162 330 K HN 0.486 nan 8.250 nan 0.000 0.485 331 T N 1.735 116.292 114.554 0.005 0.000 2.795 331 T HA 0.304 4.644 4.350 -0.017 0.000 0.282 331 T C 0.177 174.891 174.700 0.024 0.000 0.980 331 T CA -0.690 61.461 62.100 0.085 0.000 1.012 331 T CB 0.452 69.357 68.868 0.062 0.000 0.936 331 T HN 0.247 nan 8.240 nan 0.000 0.457 332 L N 4.818 126.074 121.223 0.055 0.000 2.485 332 L HA 0.221 4.551 4.340 -0.017 0.000 0.275 332 L C -1.999 174.744 176.870 -0.213 0.000 1.207 332 L CA -1.608 53.167 54.840 -0.107 0.000 0.855 332 L CB -0.316 41.684 42.059 -0.097 0.000 1.114 332 L HN 0.363 nan 8.230 nan 0.000 0.485 333 P HA 0.089 nan 4.420 nan 0.000 0.276 333 P C -2.177 174.890 177.300 -0.390 0.000 1.264 333 P CA -1.357 61.475 63.100 -0.446 0.000 0.769 333 P CB 0.051 31.277 31.700 -0.789 0.000 0.840 334 P HA -0.169 nan 4.420 nan 0.000 0.072 334 P C -0.032 177.269 177.300 0.002 0.000 0.796 334 P CA 1.252 64.283 63.100 -0.116 0.000 0.956 334 P CB -1.408 30.255 31.700 -0.062 0.000 1.695 335 F N -2.611 117.292 119.950 -0.078 0.000 2.961 335 F HA 0.189 4.705 4.527 -0.017 0.000 0.424 335 F C 1.019 176.803 175.800 -0.026 0.000 0.965 335 F CA -0.375 57.598 58.000 -0.044 0.000 0.868 335 F CB 0.117 39.106 39.000 -0.019 0.000 1.461 335 F HN -0.160 nan 8.300 nan 0.000 0.535 336 E N 1.482 121.580 120.200 -0.170 0.000 2.476 336 E HA 0.327 4.667 4.350 -0.017 0.000 0.199 336 E C 1.914 178.477 176.600 -0.062 0.000 1.021 336 E CA 0.597 56.955 56.400 -0.070 0.000 0.907 336 E CB 0.728 30.226 29.700 -0.337 0.000 0.974 336 E HN 0.515 nan 8.360 nan 0.000 0.489 337 A N 1.512 124.267 122.820 -0.108 0.000 1.878 337 A HA -0.081 4.228 4.320 -0.017 0.000 0.213 337 A C 0.774 178.287 177.584 -0.118 0.000 1.192 337 A CA 0.423 52.381 52.037 -0.131 0.000 0.619 337 A CB 0.010 18.897 19.000 -0.188 0.000 0.837 337 A HN 0.217 nan 8.150 nan 0.000 0.446 338 N N -0.557 118.075 118.700 -0.113 0.000 2.738 338 N HA -0.101 4.629 4.740 -0.017 0.000 0.249 338 N C 0.274 175.644 175.510 -0.233 0.000 1.047 338 N CA 1.694 54.695 53.050 -0.081 0.000 0.707 338 N CB -1.694 36.817 38.487 0.041 0.000 0.937 338 N HN 1.731 nan 8.380 nan 0.000 0.545 339 G N -2.819 105.544 108.800 -0.728 0.000 2.459 339 G HA2 0.419 4.369 3.960 -0.017 0.000 0.685 339 G HA3 0.419 4.369 3.960 -0.017 0.000 0.685 339 G C -0.230 174.421 174.900 -0.414 0.000 1.303 339 G CA 0.058 44.581 45.100 -0.962 0.000 0.907 339 G HN 0.723 nan 8.290 nan 0.000 0.632 340 K N 0.800 121.086 120.400 -0.191 0.000 2.569 340 K HA 0.405 4.715 4.320 -0.017 0.000 0.280 340 K C 0.972 177.522 176.600 -0.083 0.000 0.984 340 K CA 0.684 56.927 56.287 -0.074 0.000 1.064 340 K CB 0.026 32.553 32.500 0.045 0.000 0.866 340 K HN 0.975 nan 8.250 nan 0.000 0.492 341 I N 2.888 123.400 120.570 -0.097 0.000 2.452 341 I HA 0.085 4.245 4.170 -0.017 0.000 0.287 341 I C 2.034 178.081 176.117 -0.118 0.000 1.079 341 I CA 0.344 61.558 61.300 -0.143 0.000 1.387 341 I CB 0.099 38.007 38.000 -0.153 0.000 1.404 341 I HN 0.692 nan 8.210 nan 0.000 0.522 342 L N 5.778 126.919 121.223 -0.136 0.000 2.221 342 L HA 0.132 4.461 4.340 -0.017 0.000 0.202 342 L C 0.458 177.282 176.870 -0.076 0.000 1.074 342 L CA 1.567 56.361 54.840 -0.076 0.000 0.795 342 L CB -0.662 41.364 42.059 -0.054 0.000 0.960 342 L HN 0.841 nan 8.230 nan 0.000 0.458 343 D N -3.903 116.403 120.400 -0.158 0.000 2.419 343 D HA 0.171 4.801 4.640 -0.017 0.000 0.194 343 D C -1.124 175.105 176.300 -0.119 0.000 1.096 343 D CA -0.794 53.164 54.000 -0.070 0.000 0.821 343 D CB -0.961 39.844 40.800 0.009 0.000 3.027 343 D HN 0.277 nan 8.370 nan 0.000 0.479 344 Y N 0.762 121.138 120.300 0.127 0.000 2.385 344 Y HA 0.432 4.972 4.550 -0.017 0.000 0.346 344 Y C 1.241 177.133 175.900 -0.014 0.000 1.270 344 Y CA 0.453 58.599 58.100 0.077 0.000 1.472 344 Y CB 0.680 39.324 38.460 0.308 0.000 1.354 344 Y HN 0.480 nan 8.280 nan 0.000 0.611 345 E N 1.368 121.563 120.200 -0.009 0.000 2.334 345 E HA 0.355 4.695 4.350 -0.017 0.000 0.280 345 E C -2.114 174.367 176.600 -0.199 0.000 0.899 345 E CA -0.451 55.911 56.400 -0.063 0.000 0.813 345 E CB 1.833 31.508 29.700 -0.042 0.000 1.318 345 E HN 0.471 nan 8.360 nan 0.000 0.399 346 V N 3.762 123.562 119.914 -0.189 0.000 2.513 346 V HA 0.736 4.846 4.120 -0.017 0.000 0.299 346 V C -0.449 175.528 176.094 -0.194 0.000 1.035 346 V CA 0.163 62.311 62.300 -0.254 0.000 0.889 346 V CB 1.669 33.330 31.823 -0.269 0.000 0.988 346 V HN 0.742 nan 8.190 nan 0.000 0.440 347 T N 5.720 120.168 114.554 -0.178 0.000 2.918 347 T HA 0.688 5.028 4.350 -0.017 0.000 0.286 347 T C -0.953 173.641 174.700 -0.177 0.000 1.026 347 T CA -0.817 61.177 62.100 -0.176 0.000 1.031 347 T CB 1.685 70.489 68.868 -0.106 0.000 1.046 347 T HN 0.725 nan 8.240 nan 0.000 0.479 348 L N 2.585 123.683 121.223 -0.207 0.000 2.409 348 L HA 0.574 4.903 4.340 -0.017 0.000 0.272 348 L C -0.769 176.073 176.870 -0.047 0.000 0.980 348 L CA -0.471 54.277 54.840 -0.154 0.000 0.826 348 L CB 2.205 44.089 42.059 -0.292 0.000 1.268 348 L HN 1.085 nan 8.230 nan 0.000 0.407 349 T N 2.039 116.629 114.554 0.059 0.000 2.824 349 T HA 0.940 5.279 4.350 -0.017 0.000 0.282 349 T C -0.003 174.792 174.700 0.160 0.000 0.993 349 T CA -0.589 61.557 62.100 0.077 0.000 0.967 349 T CB 2.115 71.001 68.868 0.030 0.000 0.960 349 T HN 0.841 nan 8.240 nan 0.000 0.441 350 R N -0.616 119.924 120.500 0.068 0.000 2.795 350 R HA 0.815 5.145 4.340 -0.017 0.000 0.268 350 R C 0.044 176.267 176.300 -0.130 0.000 1.041 350 R CA -0.479 55.519 56.100 -0.171 0.000 0.927 350 R CB -0.464 29.376 30.300 -0.767 0.000 1.235 350 R HN 1.992 nan 8.270 nan 0.000 0.463 351 W N -0.985 120.180 121.300 -0.225 0.000 2.576 351 W HA 0.337 4.986 4.660 -0.017 0.000 0.261 351 W C 1.168 177.652 176.519 -0.058 0.000 0.694 351 W CA 0.837 58.101 57.345 -0.136 0.000 0.647 351 W CB -1.939 27.434 29.460 -0.146 0.000 1.050 351 W HN 2.386 nan 8.180 nan 0.000 0.425 352 K N 2.868 123.240 120.400 -0.046 0.000 1.913 352 K HA 0.569 4.879 4.320 -0.017 0.000 0.233 352 K C 0.998 177.599 176.600 0.002 0.000 1.243 352 K CA 1.941 58.215 56.287 -0.021 0.000 1.381 352 K CB -1.240 31.247 32.500 -0.021 0.000 0.859 352 K HN 2.960 nan 8.250 nan 0.000 0.383 353 S N 0.403 116.119 115.700 0.026 0.000 3.680 353 S HA 0.350 4.810 4.470 -0.017 0.000 0.825 353 S C -0.304 174.386 174.600 0.150 0.000 0.413 353 S CA 0.626 58.861 58.200 0.057 0.000 1.377 353 S CB -2.035 61.187 63.200 0.035 0.000 0.768 353 S HN 2.745 nan 8.310 nan 0.000 1.082 354 H N 0.321 119.389 119.070 -0.003 0.000 2.815 354 H HA 0.555 5.101 4.556 -0.017 0.000 0.273 354 H C -1.356 173.989 175.328 0.028 0.000 1.222 354 H CA -0.141 55.913 56.048 0.011 0.000 1.837 354 H CB -0.377 29.390 29.762 0.008 0.000 1.998 354 H HN 1.862 nan 8.280 nan 0.000 0.488 355 L N 1.579 122.449 121.223 -0.588 0.000 2.830 355 L HA 0.441 4.771 4.340 -0.017 0.000 0.259 355 L C -1.427 175.293 176.870 -0.250 0.000 0.926 355 L CA -1.035 53.563 54.840 -0.404 0.000 0.993 355 L CB 0.526 42.495 42.059 -0.150 0.000 1.589 355 L HN 0.734 nan 8.230 nan 0.000 0.460 356 Q N 1.846 121.537 119.800 -0.182 0.000 2.235 356 Q HA 0.745 5.075 4.340 -0.017 0.000 0.256 356 Q C -0.014 175.954 176.000 -0.053 0.000 0.951 356 Q CA -0.419 55.373 55.803 -0.017 0.000 0.890 356 Q CB 1.704 30.541 28.738 0.165 0.000 1.279 356 Q HN 0.833 nan 8.270 nan 0.000 0.444 357 N N -0.452 118.293 118.700 0.075 0.000 2.604 357 N HA 0.618 5.348 4.740 -0.017 0.000 0.297 357 N C -1.039 174.845 175.510 0.623 0.000 1.266 357 N CA -0.424 52.657 53.050 0.052 0.000 0.961 357 N CB 0.752 39.251 38.487 0.020 0.000 1.166 357 N HN 0.376 nan 8.380 nan 0.000 0.601 358 Y N -3.419 116.871 120.300 -0.016 0.000 2.764 358 Y HA 0.475 5.015 4.550 -0.017 0.000 0.331 358 Y C 0.071 175.979 175.900 0.014 0.000 1.280 358 Y CA -1.089 57.016 58.100 0.008 0.000 1.065 358 Y CB 1.099 39.576 38.460 0.029 0.000 1.319 358 Y HN 0.833 nan 8.280 nan 0.000 0.453 359 T N -3.052 111.639 114.554 0.229 0.000 3.488 359 T HA 0.293 4.633 4.350 -0.017 0.000 0.312 359 T C -0.309 174.509 174.700 0.196 0.000 0.931 359 T CA -0.064 62.125 62.100 0.150 0.000 0.982 359 T CB -0.581 68.344 68.868 0.095 0.000 1.198 359 T HN 0.321 nan 8.240 nan 0.000 0.545 360 V N 2.584 122.660 119.914 0.269 0.000 3.031 360 V HA -0.174 3.936 4.120 -0.017 0.000 0.242 360 V C 1.449 177.730 176.094 0.311 0.000 1.851 360 V CA 1.800 64.293 62.300 0.321 0.000 1.678 360 V CB -0.075 32.074 31.823 0.543 0.000 0.915 360 V HN 0.856 nan 8.190 nan 0.000 0.523 361 N N 1.195 120.040 118.700 0.241 0.000 2.171 361 N HA 0.394 5.124 4.740 -0.017 0.000 0.212 361 N C 0.248 175.896 175.510 0.230 0.000 1.184 361 N CA 0.534 53.723 53.050 0.231 0.000 0.888 361 N CB 0.455 39.022 38.487 0.134 0.000 1.038 361 N HN 0.890 nan 8.380 nan 0.000 0.517 362 A N -0.974 121.948 122.820 0.170 0.000 3.444 362 A HA 0.524 4.834 4.320 -0.017 0.000 0.189 362 A C 0.952 178.451 177.584 -0.141 0.000 1.542 362 A CA 0.402 52.457 52.037 0.031 0.000 0.867 362 A CB -0.099 18.877 19.000 -0.040 0.000 1.712 362 A HN 0.283 nan 8.150 nan 0.000 0.556 363 T N -3.577 110.674 114.554 -0.506 0.000 2.966 363 T HA 0.408 4.747 4.350 -0.017 0.000 0.254 363 T C 0.631 174.410 174.700 -1.536 0.000 0.961 363 T CA 0.791 62.065 62.100 -1.375 0.000 0.915 363 T CB -0.426 67.810 68.868 -1.053 0.000 1.186 363 T HN 0.938 nan 8.240 nan 0.000 0.505 364 K N 1.723 121.735 120.400 -0.646 0.000 2.231 364 K HA 0.704 5.014 4.320 -0.017 0.000 0.275 364 K C -0.427 176.109 176.600 -0.106 0.000 1.105 364 K CA -0.654 55.429 56.287 -0.340 0.000 0.931 364 K CB -0.400 31.982 32.500 -0.198 0.000 1.296 364 K HN 0.325 nan 8.250 nan 0.000 0.446 365 L N 2.624 123.928 121.223 0.135 0.000 2.326 365 L HA 0.514 4.844 4.340 -0.017 0.000 0.278 365 L C 0.305 177.274 176.870 0.164 0.000 1.092 365 L CA 0.359 55.366 54.840 0.278 0.000 0.810 365 L CB 1.695 44.037 42.059 0.471 0.000 1.153 365 L HN 0.715 nan 8.230 nan 0.000 0.439 366 T N 3.424 118.041 114.554 0.106 0.000 2.892 366 T HA 0.606 4.946 4.350 -0.017 0.000 0.311 366 T C -0.287 174.448 174.700 0.057 0.000 1.033 366 T CA -0.595 61.532 62.100 0.045 0.000 0.991 366 T CB 0.908 69.780 68.868 0.006 0.000 0.981 366 T HN 0.577 nan 8.240 nan 0.000 0.457 367 V N 1.189 121.123 119.914 0.034 0.000 3.204 367 V HA 0.797 4.907 4.120 -0.017 0.000 0.316 367 V C -0.604 175.483 176.094 -0.011 0.000 1.160 367 V CA -1.113 61.211 62.300 0.040 0.000 1.044 367 V CB 2.100 33.928 31.823 0.008 0.000 1.136 367 V HN 0.712 nan 8.190 nan 0.000 0.455 368 N N 0.459 119.144 118.700 -0.024 0.000 2.482 368 N HA 0.796 5.526 4.740 -0.017 0.000 0.279 368 N C -1.054 174.371 175.510 -0.142 0.000 1.182 368 N CA -0.256 52.749 53.050 -0.075 0.000 0.969 368 N CB 1.324 39.741 38.487 -0.116 0.000 1.201 368 N HN 0.815 nan 8.380 nan 0.000 0.523 369 L N -0.573 120.570 121.223 -0.134 0.000 3.002 369 L HA 0.294 4.624 4.340 -0.017 0.000 0.267 369 L C 0.113 177.021 176.870 0.063 0.000 0.997 369 L CA -0.283 54.497 54.840 -0.100 0.000 0.961 369 L CB 1.160 43.076 42.059 -0.238 0.000 1.502 369 L HN 0.840 nan 8.230 nan 0.000 0.408 370 T N -2.289 112.420 114.554 0.258 0.000 2.769 370 T HA 0.509 4.849 4.350 -0.017 0.000 0.258 370 T C 0.113 174.929 174.700 0.192 0.000 1.008 370 T CA -0.294 61.938 62.100 0.221 0.000 1.021 370 T CB 0.917 69.903 68.868 0.198 0.000 1.788 370 T HN 0.553 nan 8.240 nan 0.000 0.577 371 N N 1.070 119.843 118.700 0.122 0.000 2.351 371 N HA 0.217 4.947 4.740 -0.017 0.000 0.254 371 N C -1.046 174.482 175.510 0.029 0.000 1.241 371 N CA -0.253 52.846 53.050 0.082 0.000 0.883 371 N CB 0.573 39.100 38.487 0.067 0.000 1.202 371 N HN 0.533 nan 8.380 nan 0.000 0.512 372 D N 0.865 121.246 120.400 -0.032 0.000 2.506 372 D HA 0.169 4.799 4.640 -0.017 0.000 0.272 372 D C 0.675 176.907 176.300 -0.114 0.000 1.214 372 D CA -0.317 53.607 54.000 -0.127 0.000 1.067 372 D CB 1.482 42.113 40.800 -0.281 0.000 1.117 372 D HN -0.027 nan 8.370 nan 0.000 0.578 373 R N -0.765 119.650 120.500 -0.141 0.000 2.615 373 R HA 0.309 4.639 4.340 -0.017 0.000 0.270 373 R C -0.999 175.168 176.300 -0.221 0.000 1.081 373 R CA 0.002 56.041 56.100 -0.102 0.000 1.154 373 R CB 0.399 30.648 30.300 -0.084 0.000 1.063 373 R HN 0.444 nan 8.270 nan 0.000 0.519 374 Y N 1.425 121.687 120.300 -0.063 0.000 2.944 374 Y HA 0.606 5.146 4.550 -0.017 0.000 0.312 374 Y C -0.930 174.923 175.900 -0.078 0.000 1.417 374 Y CA -1.088 56.967 58.100 -0.075 0.000 1.105 374 Y CB 1.902 40.294 38.460 -0.112 0.000 1.364 374 Y HN 0.513 nan 8.280 nan 0.000 0.540 375 L N 0.940 122.292 121.223 0.216 0.000 3.586 375 L HA 0.674 5.003 4.340 -0.017 0.000 0.267 375 L C -2.015 174.892 176.870 0.062 0.000 0.980 375 L CA -0.247 54.643 54.840 0.084 0.000 1.199 375 L CB 0.564 42.661 42.059 0.063 0.000 1.946 375 L HN 0.614 nan 8.230 nan 0.000 0.595 376 A N 2.638 125.489 122.820 0.051 0.000 2.299 376 A HA 0.916 5.226 4.320 -0.017 0.000 0.332 376 A C -0.168 177.531 177.584 0.191 0.000 1.131 376 A CA 0.015 52.103 52.037 0.086 0.000 0.844 376 A CB 1.786 20.834 19.000 0.080 0.000 1.251 376 A HN 0.906 nan 8.150 nan 0.000 0.486 377 T N 0.902 115.509 114.554 0.088 0.000 3.313 377 T HA 0.420 4.759 4.350 -0.017 0.000 0.333 377 T C -1.366 173.173 174.700 -0.267 0.000 0.904 377 T CA -0.372 61.695 62.100 -0.054 0.000 1.079 377 T CB -0.070 68.771 68.868 -0.044 0.000 1.017 377 T HN 1.029 nan 8.240 nan 0.000 0.471 378 L N 5.448 126.315 121.223 -0.594 0.000 2.312 378 L HA 0.913 5.243 4.340 -0.017 0.000 0.281 378 L C 0.213 176.773 176.870 -0.517 0.000 1.070 378 L CA 0.436 54.787 54.840 -0.815 0.000 0.805 378 L CB 1.398 42.471 42.059 -1.644 0.000 1.174 378 L HN 0.895 nan 8.230 nan 0.000 0.434 379 T N 1.504 115.843 114.554 -0.358 0.000 2.804 379 T HA 0.730 5.069 4.350 -0.017 0.000 0.290 379 T C -0.994 173.612 174.700 -0.158 0.000 1.099 379 T CA -0.795 61.177 62.100 -0.213 0.000 1.011 379 T CB 1.389 70.166 68.868 -0.153 0.000 1.291 379 T HN 0.602 nan 8.240 nan 0.000 0.523 380 V N 0.598 120.436 119.914 -0.127 0.000 2.567 380 V HA 0.627 4.737 4.120 -0.017 0.000 0.298 380 V C -0.529 175.447 176.094 -0.196 0.000 1.047 380 V CA -0.771 61.411 62.300 -0.197 0.000 0.880 380 V CB 1.531 33.232 31.823 -0.203 0.000 1.009 380 V HN 1.032 nan 8.190 nan 0.000 0.429 381 R N 4.894 125.275 120.500 -0.200 0.000 2.643 381 R HA 0.679 5.008 4.340 -0.017 0.000 0.272 381 R C -0.781 175.440 176.300 -0.131 0.000 0.995 381 R CA -0.285 55.737 56.100 -0.130 0.000 1.032 381 R CB 1.676 31.924 30.300 -0.087 0.000 1.126 381 R HN 0.949 nan 8.270 nan 0.000 0.505 382 N N -0.212 118.441 118.700 -0.079 0.000 2.934 382 N HA 0.067 4.797 4.740 -0.017 0.000 0.253 382 N C 0.226 175.728 175.510 -0.013 0.000 1.466 382 N CA -0.326 52.693 53.050 -0.052 0.000 0.858 382 N CB 0.138 38.592 38.487 -0.057 0.000 1.459 382 N HN 0.359 nan 8.380 nan 0.000 0.532 383 L N -1.052 120.177 121.223 0.010 0.000 4.725 383 L HA 0.209 4.539 4.340 -0.017 0.000 0.275 383 L C 1.150 178.039 176.870 0.033 0.000 1.331 383 L CA 1.834 56.692 54.840 0.030 0.000 0.821 383 L CB -2.086 40.009 42.059 0.059 0.000 1.301 383 L HN 0.646 nan 8.230 nan 0.000 0.408 384 V N -2.980 116.944 119.914 0.018 0.000 3.210 384 V HA 0.548 4.658 4.120 -0.017 0.000 0.251 384 V C 0.649 176.747 176.094 0.006 0.000 1.795 384 V CA 0.801 63.113 62.300 0.020 0.000 0.999 384 V CB 0.127 31.973 31.823 0.038 0.000 0.941 384 V HN 1.713 nan 8.190 nan 0.000 0.358 385 G N 0.065 108.861 108.800 -0.008 0.000 2.338 385 G HA2 0.512 4.461 3.960 -0.017 0.000 0.295 385 G HA3 0.512 4.461 3.960 -0.017 0.000 0.295 385 G C -0.769 174.106 174.900 -0.041 0.000 1.461 385 G CA 0.209 45.297 45.100 -0.020 0.000 0.817 385 G HN 0.660 nan 8.290 nan 0.000 0.556 386 K N -0.852 119.517 120.400 -0.052 0.000 2.564 386 K HA -0.017 4.293 4.320 -0.017 0.000 1.008 386 K C -0.984 175.589 176.600 -0.045 0.000 0.959 386 K CA 0.697 56.959 56.287 -0.042 0.000 1.060 386 K CB -1.313 31.171 32.500 -0.026 0.000 3.272 386 K HN 1.419 nan 8.250 nan 0.000 0.157 387 S N 4.052 119.717 115.700 -0.059 0.000 2.060 387 S HA 0.247 4.707 4.470 -0.017 0.000 0.156 387 S C -0.695 173.869 174.600 -0.059 0.000 1.690 387 S CA 0.045 58.209 58.200 -0.059 0.000 1.238 387 S CB 0.438 63.591 63.200 -0.078 0.000 1.150 387 S HN 0.610 nan 8.310 nan 0.000 0.437 388 D N 2.079 122.453 120.400 -0.044 0.000 5.009 388 D HA -0.191 4.439 4.640 -0.017 0.000 0.134 388 D C 0.176 176.440 176.300 -0.060 0.000 1.346 388 D CA 1.453 55.430 54.000 -0.039 0.000 1.078 388 D CB 0.189 40.974 40.800 -0.026 0.000 0.817 388 D HN 0.811 nan 8.370 nan 0.000 0.411 389 A N 1.972 124.758 122.820 -0.056 0.000 2.401 389 A HA 0.646 4.956 4.320 -0.017 0.000 0.259 389 A C 0.345 177.880 177.584 -0.083 0.000 1.103 389 A CA 0.276 52.267 52.037 -0.077 0.000 0.789 389 A CB 0.848 19.817 19.000 -0.052 0.000 1.035 389 A HN 0.771 nan 8.150 nan 0.000 0.491 390 A N 1.464 124.192 122.820 -0.154 0.000 2.293 390 A HA 0.675 4.985 4.320 -0.017 0.000 0.302 390 A C -0.419 177.155 177.584 -0.016 0.000 1.119 390 A CA -0.344 51.602 52.037 -0.151 0.000 0.823 390 A CB 0.591 19.306 19.000 -0.475 0.000 1.097 390 A HN 1.645 nan 8.150 nan 0.000 0.491 391 V N 1.855 121.885 119.914 0.194 0.000 2.671 391 V HA 0.365 4.475 4.120 -0.017 0.000 0.292 391 V C -0.633 175.656 176.094 0.325 0.000 1.115 391 V CA -0.281 62.171 62.300 0.254 0.000 0.918 391 V CB 0.664 32.559 31.823 0.119 0.000 1.036 391 V HN 0.787 nan 8.190 nan 0.000 0.445 392 L N 2.893 124.320 121.223 0.339 0.000 2.322 392 L HA 0.877 5.207 4.340 -0.017 0.000 0.269 392 L C 0.017 176.969 176.870 0.137 0.000 1.012 392 L CA -0.510 54.474 54.840 0.241 0.000 0.815 392 L CB 2.533 44.609 42.059 0.030 0.000 1.295 392 L HN 0.674 nan 8.230 nan 0.000 0.438 393 T N 1.760 116.400 114.554 0.144 0.000 2.847 393 T HA 0.511 4.850 4.350 -0.017 0.000 0.291 393 T C -0.497 174.199 174.700 -0.006 0.000 0.998 393 T CA -0.201 61.936 62.100 0.062 0.000 0.967 393 T CB 1.575 70.486 68.868 0.073 0.000 0.954 393 T HN 0.386 nan 8.240 nan 0.000 0.441 394 I N 5.384 125.886 120.570 -0.114 0.000 2.411 394 I HA 0.435 4.595 4.170 -0.017 0.000 0.284 394 I C -2.786 173.313 176.117 -0.029 0.000 1.012 394 I CA -2.634 58.486 61.300 -0.299 0.000 1.119 394 I CB 2.261 39.881 38.000 -0.633 0.000 1.261 394 I HN 0.363 nan 8.210 nan 0.000 0.448 395 P HA 0.370 nan 4.420 nan 0.000 0.285 395 P C -0.987 176.380 177.300 0.111 0.000 1.280 395 P CA -0.552 62.612 63.100 0.106 0.000 0.862 395 P CB 1.128 32.946 31.700 0.197 0.000 1.153 396 A N 0.920 123.779 122.820 0.065 0.000 2.615 396 A HA -0.059 4.251 4.320 -0.017 0.000 0.240 396 A C 0.664 178.314 177.584 0.110 0.000 1.003 396 A CA 0.254 52.327 52.037 0.060 0.000 0.778 396 A CB -1.097 17.921 19.000 0.029 0.000 0.907 396 A HN 0.712 nan 8.150 nan 0.000 0.507 397 C N 2.492 121.843 119.300 0.085 0.000 2.645 397 C HA 0.557 5.007 4.460 -0.017 0.000 0.451 397 C C 0.618 175.653 174.990 0.075 0.000 1.018 397 C CA 0.139 59.207 59.018 0.084 0.000 1.180 397 C CB -2.082 25.698 27.740 0.066 0.000 1.563 397 C HN 0.969 nan 8.230 nan 0.000 0.551 398 D N -1.402 119.057 120.400 0.099 0.000 3.125 398 D HA -0.095 4.534 4.640 -0.017 0.000 0.622 398 D C 0.007 176.371 176.300 0.108 0.000 0.470 398 D CA -0.504 53.542 54.000 0.077 0.000 1.092 398 D CB -1.252 39.588 40.800 0.066 0.000 1.382 398 D HN 0.303 nan 8.370 nan 0.000 0.282 399 F N 3.452 123.417 119.950 0.025 0.000 2.539 399 F HA 0.343 4.860 4.527 -0.017 0.000 0.393 399 F C -0.077 175.742 175.800 0.032 0.000 1.032 399 F CA -0.017 58.002 58.000 0.031 0.000 1.120 399 F CB 0.175 39.202 39.000 0.045 0.000 1.014 399 F HN -0.029 nan 8.300 nan 0.000 0.546 400 Q N 5.982 125.577 119.800 -0.341 0.000 2.248 400 Q HA 0.745 5.075 4.340 -0.017 0.000 0.263 400 Q C 0.845 176.504 176.000 -0.568 0.000 1.007 400 Q CA -0.282 55.259 55.803 -0.438 0.000 0.877 400 Q CB 0.735 29.370 28.738 -0.171 0.000 1.315 400 Q HN 0.882 nan 8.270 nan 0.000 0.454 401 A N 1.571 124.152 122.820 -0.398 0.000 3.214 401 A HA -0.221 4.089 4.320 -0.017 0.000 0.519 401 A C 0.437 177.921 177.584 -0.166 0.000 1.190 401 A CA 2.771 54.670 52.037 -0.230 0.000 1.775 401 A CB -2.433 16.491 19.000 -0.126 0.000 1.015 401 A HN 2.134 nan 8.150 nan 0.000 0.582 402 T N -4.659 109.843 114.554 -0.087 0.000 0.542 402 T HA 0.075 4.415 4.350 -0.017 0.000 0.774 402 T C -0.171 174.518 174.700 -0.017 0.000 0.992 402 T CA 1.403 63.464 62.100 -0.064 0.000 4.076 402 T CB -2.227 66.657 68.868 0.026 0.000 2.303 402 T HN 2.449 nan 8.240 nan 0.000 0.398 403 H N 1.382 120.412 119.070 -0.067 0.000 2.716 403 H HA -0.011 4.534 4.556 -0.017 0.000 0.269 403 H C -2.532 172.822 175.328 0.043 0.000 0.733 403 H CA 1.265 57.270 56.048 -0.072 0.000 0.859 403 H CB -0.257 29.318 29.762 -0.313 0.000 1.458 403 H HN 0.815 nan 8.280 nan 0.000 0.272 404 P HA 0.319 nan 4.420 nan 0.000 0.290 404 P C -0.228 177.151 177.300 0.131 0.000 1.307 404 P CA -0.861 62.326 63.100 0.146 0.000 0.948 404 P CB 1.691 33.424 31.700 0.056 0.000 1.312 405 V N 1.585 121.495 119.914 -0.008 0.000 3.857 405 V HA 0.458 4.568 4.120 -0.017 0.000 0.275 405 V C -0.004 176.066 176.094 -0.040 0.000 0.992 405 V CA 0.180 62.399 62.300 -0.136 0.000 0.998 405 V CB 0.209 31.654 31.823 -0.631 0.000 1.234 405 V HN 0.709 nan 8.190 nan 0.000 0.438 406 M N 1.656 121.253 119.600 -0.004 0.000 2.525 406 M HA 0.261 4.731 4.480 -0.017 0.000 0.286 406 M C -1.541 174.824 176.300 0.110 0.000 1.019 406 M CA -0.199 55.136 55.300 0.058 0.000 0.865 406 M CB 1.332 33.978 32.600 0.076 0.000 1.851 406 M HN 0.935 nan 8.290 nan 0.000 0.544 407 D N 2.072 122.524 120.400 0.086 0.000 2.914 407 D HA -0.126 4.504 4.640 -0.017 0.000 0.226 407 D C -0.806 175.568 176.300 0.125 0.000 1.112 407 D CA 0.784 54.839 54.000 0.091 0.000 0.778 407 D CB -0.997 39.854 40.800 0.086 0.000 1.095 407 D HN 0.591 nan 8.370 nan 0.000 0.436 408 L N -0.528 120.768 121.223 0.121 0.000 2.278 408 L HA 0.537 4.867 4.340 -0.017 0.000 0.287 408 L C 0.401 177.319 176.870 0.079 0.000 1.072 408 L CA -0.142 54.792 54.840 0.156 0.000 0.819 408 L CB 0.586 42.700 42.059 0.091 0.000 1.176 408 L HN 0.108 nan 8.230 nan 0.000 0.435 409 K N 3.860 124.284 120.400 0.040 0.000 2.132 409 K HA 0.980 5.290 4.320 -0.017 0.000 0.241 409 K C -0.554 175.947 176.600 -0.166 0.000 1.000 409 K CA -0.317 55.943 56.287 -0.045 0.000 0.911 409 K CB 1.402 33.882 32.500 -0.034 0.000 1.093 409 K HN 1.314 nan 8.250 nan 0.000 0.460 410 A N 0.521 123.206 122.820 -0.226 0.000 2.517 410 A HA 0.902 5.212 4.320 -0.017 0.000 0.297 410 A C -0.712 176.720 177.584 -0.255 0.000 1.050 410 A CA -0.482 51.348 52.037 -0.344 0.000 0.694 410 A CB 0.356 19.274 19.000 -0.136 0.000 1.277 410 A HN 1.706 nan 8.150 nan 0.000 0.400 411 F N 0.094 120.076 119.950 0.054 0.000 3.169 411 F HA 0.970 5.487 4.527 -0.017 0.000 0.325 411 F C -3.152 172.692 175.800 0.074 0.000 1.175 411 F CA -2.174 55.843 58.000 0.028 0.000 0.887 411 F CB 1.504 40.522 39.000 0.031 0.000 1.457 411 F HN 0.433 nan 8.300 nan 0.000 0.496 412 P HA 0.572 nan 4.420 nan 0.000 0.310 412 P C -2.185 175.213 177.300 0.164 0.000 1.363 412 P CA -0.773 62.485 63.100 0.263 0.000 1.157 412 P CB 3.482 35.256 31.700 0.124 0.000 1.681 413 K N 0.222 120.706 120.400 0.140 0.000 6.307 413 K HA 0.063 4.373 4.320 -0.017 0.000 0.970 413 K C -1.870 174.837 176.600 0.179 0.000 1.034 413 K CA -0.488 55.852 56.287 0.088 0.000 0.884 413 K CB -0.474 32.030 32.500 0.006 0.000 2.279 413 K HN 0.466 nan 8.250 nan 0.000 0.343 414 D N 3.656 124.126 120.400 0.115 0.000 2.467 414 D HA 0.277 4.907 4.640 -0.017 0.000 0.220 414 D C -0.284 176.026 176.300 0.017 0.000 1.103 414 D CA -0.217 53.810 54.000 0.046 0.000 0.886 414 D CB 0.537 41.357 40.800 0.034 0.000 1.025 414 D HN 0.503 nan 8.370 nan 0.000 0.514 415 N N 1.665 120.369 118.700 0.006 0.000 2.776 415 N HA -0.146 4.584 4.740 -0.017 0.000 0.249 415 N C -0.971 174.509 175.510 -0.051 0.000 1.111 415 N CA 0.663 53.706 53.050 -0.012 0.000 0.711 415 N CB -0.651 37.832 38.487 -0.007 0.000 1.065 415 N HN 0.458 nan 8.380 nan 0.000 0.556 416 M N 0.075 119.622 119.600 -0.088 0.000 2.277 416 M HA 0.326 4.796 4.480 -0.017 0.000 0.282 416 M C -0.592 175.528 176.300 -0.300 0.000 1.074 416 M CA -0.685 54.481 55.300 -0.224 0.000 0.954 416 M CB 1.830 34.260 32.600 -0.282 0.000 1.672 416 M HN 0.051 nan 8.290 nan 0.000 0.471 417 L N 2.907 123.927 121.223 -0.337 0.000 2.371 417 L HA 0.533 4.863 4.340 -0.017 0.000 0.272 417 L C -1.602 175.078 176.870 -0.317 0.000 1.124 417 L CA 0.602 55.291 54.840 -0.252 0.000 0.816 417 L CB 0.722 42.606 42.059 -0.293 0.000 1.129 417 L HN 0.704 nan 8.230 nan 0.000 0.448 418 W N 4.062 125.387 121.300 0.042 0.000 2.915 418 W HA 0.691 5.341 4.660 -0.017 0.000 0.337 418 W C -1.273 175.045 176.519 -0.335 0.000 1.102 418 W CA -0.929 56.420 57.345 0.007 0.000 1.224 418 W CB 2.215 31.937 29.460 0.436 0.000 1.416 418 W HN 0.212 nan 8.180 nan 0.000 0.503 419 V N 2.222 122.191 119.914 0.092 0.000 2.577 419 V HA 0.501 4.610 4.120 -0.017 0.000 0.303 419 V C -0.725 175.363 176.094 -0.010 0.000 1.042 419 V CA -1.067 61.201 62.300 -0.053 0.000 0.872 419 V CB 1.458 33.362 31.823 0.136 0.000 0.998 419 V HN 0.584 nan 8.190 nan 0.000 0.423 420 E N 3.739 123.862 120.200 -0.128 0.000 2.314 420 E HA 0.783 5.123 4.350 -0.017 0.000 0.272 420 E C -1.094 175.472 176.600 -0.055 0.000 0.884 420 E CA -0.899 55.351 56.400 -0.251 0.000 0.753 420 E CB 2.328 31.904 29.700 -0.207 0.000 1.213 420 E HN 0.638 nan 8.360 nan 0.000 0.432 421 W N 0.856 122.137 121.300 -0.030 0.000 3.831 421 W HA 0.740 5.389 4.660 -0.017 0.000 0.369 421 W C -1.177 175.303 176.519 -0.063 0.000 1.128 421 W CA -0.969 56.338 57.345 -0.062 0.000 0.988 421 W CB 0.245 29.640 29.460 -0.108 0.000 1.678 421 W HN 0.317 nan 8.180 nan 0.000 0.619 422 T N 1.047 115.815 114.554 0.355 0.000 2.823 422 T HA 0.370 4.709 4.350 -0.017 0.000 0.279 422 T C -0.629 174.252 174.700 0.303 0.000 0.998 422 T CA -0.449 61.737 62.100 0.143 0.000 0.994 422 T CB 1.341 70.260 68.868 0.085 0.000 0.960 422 T HN 0.354 nan 8.240 nan 0.000 0.448 423 T N 5.988 120.631 114.554 0.149 0.000 2.750 423 T HA 0.212 4.552 4.350 -0.017 0.000 0.286 423 T C -2.159 172.701 174.700 0.267 0.000 0.911 423 T CA -0.754 61.522 62.100 0.293 0.000 1.130 423 T CB -0.104 68.904 68.868 0.235 0.000 0.873 423 T HN 0.298 nan 8.240 nan 0.000 0.536 424 P HA 0.342 nan 4.420 nan 0.000 0.267 424 P C 0.985 178.414 177.300 0.215 0.000 1.205 424 P CA 0.244 63.513 63.100 0.282 0.000 0.765 424 P CB 0.346 32.269 31.700 0.371 0.000 0.828 425 R N 3.811 124.400 120.500 0.149 0.000 3.691 425 R HA -0.319 4.011 4.340 -0.017 0.000 0.495 425 R C 1.610 177.948 176.300 0.063 0.000 0.244 425 R CA 2.623 58.766 56.100 0.071 0.000 1.515 425 R CB -2.839 27.394 30.300 -0.112 0.000 0.879 425 R HN 0.695 nan 8.270 nan 0.000 0.595 426 E N -0.210 120.007 120.200 0.029 0.000 2.206 426 E HA 0.479 4.818 4.350 -0.017 0.000 0.195 426 E C 0.924 177.574 176.600 0.082 0.000 0.935 426 E CA 1.645 58.073 56.400 0.047 0.000 0.875 426 E CB 0.119 29.826 29.700 0.012 0.000 0.841 426 E HN 2.295 nan 8.360 nan 0.000 0.477 427 S N 0.744 116.522 115.700 0.130 0.000 2.232 427 S HA 0.356 4.816 4.470 -0.017 0.000 0.288 427 S C -0.978 173.659 174.600 0.063 0.000 0.681 427 S CA -0.087 58.166 58.200 0.089 0.000 0.814 427 S CB -0.502 62.733 63.200 0.059 0.000 1.227 427 S HN 0.330 nan 8.310 nan 0.000 0.439 428 V N 3.288 123.154 119.914 -0.081 0.000 2.785 428 V HA 0.703 4.813 4.120 -0.017 0.000 0.300 428 V C 0.467 176.355 176.094 -0.342 0.000 1.062 428 V CA -0.226 61.822 62.300 -0.421 0.000 1.029 428 V CB 1.431 32.842 31.823 -0.688 0.000 1.024 428 V HN 0.746 nan 8.190 nan 0.000 0.477 429 K N 4.818 125.017 120.400 -0.335 0.000 2.514 429 K HA 0.342 4.651 4.320 -0.017 0.000 0.207 429 K C -0.644 175.816 176.600 -0.233 0.000 1.035 429 K CA -0.201 55.966 56.287 -0.201 0.000 1.113 429 K CB 0.046 32.495 32.500 -0.085 0.000 0.846 429 K HN 0.727 nan 8.250 nan 0.000 0.491 430 K N -0.643 119.518 120.400 -0.398 0.000 4.186 430 K HA -0.024 4.285 4.320 -0.017 0.000 0.571 430 K C -1.827 174.512 176.600 -0.435 0.000 1.218 430 K CA -0.610 55.458 56.287 -0.365 0.000 0.972 430 K CB -0.868 31.511 32.500 -0.203 0.000 1.208 430 K HN -0.063 nan 8.250 nan 0.000 0.446 431 Y N 2.701 122.976 120.300 -0.041 0.000 2.408 431 Y HA 0.683 5.222 4.550 -0.017 0.000 0.324 431 Y C 0.833 176.672 175.900 -0.102 0.000 1.302 431 Y CA -1.009 57.052 58.100 -0.065 0.000 1.384 431 Y CB 1.322 39.794 38.460 0.019 0.000 1.367 431 Y HN 0.534 nan 8.280 nan 0.000 0.525 432 I N 3.012 123.620 120.570 0.065 0.000 2.850 432 I HA 0.102 4.262 4.170 -0.017 0.000 0.282 432 I C -1.857 174.323 176.117 0.105 0.000 1.629 432 I CA -0.677 60.597 61.300 -0.043 0.000 0.792 432 I CB 0.259 38.004 38.000 -0.425 0.000 1.776 432 I HN 0.410 nan 8.210 nan 0.000 0.578 433 L N 3.581 124.899 121.223 0.159 0.000 2.315 433 L HA 0.533 4.863 4.340 -0.017 0.000 0.283 433 L C 0.432 177.489 176.870 0.313 0.000 1.089 433 L CA 0.013 54.970 54.840 0.195 0.000 0.833 433 L CB 0.096 42.253 42.059 0.163 0.000 1.170 433 L HN 0.348 nan 8.230 nan 0.000 0.442 434 E N 2.283 122.660 120.200 0.295 0.000 2.254 434 E HA 0.753 5.093 4.350 -0.017 0.000 0.261 434 E C -0.954 175.839 176.600 0.321 0.000 1.051 434 E CA -0.818 55.738 56.400 0.259 0.000 0.902 434 E CB 1.434 31.232 29.700 0.164 0.000 1.168 434 E HN 0.766 nan 8.360 nan 0.000 0.423 435 W N -0.013 121.344 121.300 0.096 0.000 3.064 435 W HA 0.485 5.135 4.660 -0.017 0.000 0.328 435 W C -1.715 174.866 176.519 0.103 0.000 1.210 435 W CA -0.652 56.741 57.345 0.080 0.000 1.178 435 W CB 0.080 29.557 29.460 0.029 0.000 1.416 435 W HN 1.057 nan 8.180 nan 0.000 0.568 436 c N 0.128 119.007 118.600 0.464 0.000 3.263 436 c HA 0.835 5.394 4.570 -0.017 0.000 0.369 436 c C -1.602 172.817 174.090 0.548 0.000 1.634 436 c CA -0.553 56.006 56.329 0.383 0.000 1.143 436 c CB 1.052 43.623 42.510 0.101 0.000 1.910 436 c HN 1.170 nan 8.230 nan 0.000 0.425 437 V N 1.993 122.094 119.914 0.312 0.000 2.448 437 V HA 0.551 4.660 4.120 -0.017 0.000 0.295 437 V C -0.384 175.734 176.094 0.039 0.000 1.025 437 V CA -0.408 61.958 62.300 0.110 0.000 0.859 437 V CB 1.401 33.227 31.823 0.004 0.000 0.988 437 V HN 0.765 nan 8.190 nan 0.000 0.431 438 L N 5.572 126.805 121.223 0.017 0.000 2.349 438 L HA 0.684 5.014 4.340 -0.017 0.000 0.275 438 L C 0.096 176.955 176.870 -0.019 0.000 1.115 438 L CA 0.298 55.152 54.840 0.024 0.000 0.820 438 L CB 1.566 43.663 42.059 0.064 0.000 1.135 438 L HN 0.787 nan 8.230 nan 0.000 0.445 439 S N 1.556 117.252 115.700 -0.006 0.000 2.697 439 S HA 0.110 4.570 4.470 -0.017 0.000 0.313 439 S C -1.765 172.833 174.600 -0.004 0.000 0.954 439 S CA -0.971 57.219 58.200 -0.017 0.000 0.831 439 S CB 1.008 64.188 63.200 -0.034 0.000 1.030 439 S HN 0.582 nan 8.310 nan 0.000 0.466 440 D N 3.422 123.820 120.400 -0.002 0.000 2.365 440 D HA 0.565 5.195 4.640 -0.017 0.000 0.237 440 D C 0.659 176.958 176.300 -0.001 0.000 1.190 440 D CA 1.095 55.096 54.000 0.002 0.000 0.867 440 D CB 1.139 41.942 40.800 0.005 0.000 1.050 440 D HN 1.211 nan 8.370 nan 0.000 0.491 441 K N 0.210 120.609 120.400 -0.001 0.000 2.591 441 K HA 0.340 4.650 4.320 -0.017 0.000 0.198 441 K C -0.211 176.387 176.600 -0.003 0.000 1.215 441 K CA 0.065 56.350 56.287 -0.002 0.000 0.582 441 K CB -1.837 30.660 32.500 -0.004 0.000 2.239 441 K HN 1.162 nan 8.250 nan 0.000 0.560 442 A N 0.144 122.964 122.820 -0.001 0.000 1.757 442 A HA 0.523 4.833 4.320 -0.017 0.000 0.239 442 A C -1.316 176.270 177.584 0.004 0.000 1.739 442 A CA 0.076 52.113 52.037 0.000 0.000 1.801 442 A CB -0.535 18.465 19.000 -0.000 0.000 0.739 442 A HN 0.710 nan 8.150 nan 0.000 0.864 443 P HA -0.106 nan 4.420 nan 0.000 0.291 443 P C 0.401 177.705 177.300 0.006 0.000 1.855 443 P CA -0.054 63.047 63.100 0.000 0.000 1.607 443 P CB 0.337 32.033 31.700 -0.007 0.000 0.655 444 c N 0.199 118.800 118.600 0.002 0.000 2.301 444 c HA 0.380 4.940 4.570 -0.017 0.000 0.313 444 c C 0.089 174.170 174.090 -0.016 0.000 1.121 444 c CA -0.644 55.688 56.329 0.006 0.000 1.507 444 c CB -2.304 40.219 42.510 0.023 0.000 1.975 444 c HN 0.207 nan 8.230 nan 0.000 0.425 445 I N 4.469 125.029 120.570 -0.017 0.000 2.556 445 I HA 0.432 4.592 4.170 -0.017 0.000 0.284 445 I C 0.817 176.893 176.117 -0.068 0.000 1.114 445 I CA -0.007 61.268 61.300 -0.041 0.000 1.418 445 I CB -0.199 37.783 38.000 -0.031 0.000 1.394 445 I HN 0.531 nan 8.210 nan 0.000 0.552 446 T N 1.905 116.380 114.554 -0.131 0.000 2.950 446 T HA 0.594 4.933 4.350 -0.017 0.000 0.288 446 T C -0.538 173.930 174.700 -0.388 0.000 1.035 446 T CA -0.835 61.117 62.100 -0.246 0.000 1.028 446 T CB 2.314 71.068 68.868 -0.189 0.000 1.109 446 T HN 0.647 nan 8.240 nan 0.000 0.514 447 D N -0.175 119.730 120.400 -0.825 0.000 2.450 447 D HA 0.534 5.164 4.640 -0.017 0.000 0.238 447 D C -1.214 174.714 176.300 -0.620 0.000 1.020 447 D CA -0.350 53.095 54.000 -0.925 0.000 1.010 447 D CB 2.196 41.887 40.800 -1.849 0.000 1.342 447 D HN 0.725 nan 8.370 nan 0.000 0.530 448 W N 0.999 121.979 121.300 -0.533 0.000 3.372 448 W HA 0.420 5.070 4.660 -0.017 0.000 0.315 448 W C -1.625 174.896 176.519 0.002 0.000 1.223 448 W CA -0.822 56.432 57.345 -0.151 0.000 1.202 448 W CB -0.077 29.356 29.460 -0.046 0.000 1.367 448 W HN 0.328 nan 8.180 nan 0.000 0.531 449 Q N 1.679 121.482 119.800 0.006 0.000 2.433 449 Q HA 0.583 4.913 4.340 -0.017 0.000 0.279 449 Q C -1.045 174.873 176.000 -0.136 0.000 1.105 449 Q CA -1.067 54.592 55.803 -0.241 0.000 0.815 449 Q CB 3.330 32.022 28.738 -0.077 0.000 1.403 449 Q HN 0.584 nan 8.270 nan 0.000 0.435 450 Q N 0.277 119.936 119.800 -0.235 0.000 2.193 450 Q HA 0.393 4.723 4.340 -0.017 0.000 0.246 450 Q C -1.258 174.725 176.000 -0.029 0.000 0.959 450 Q CA -0.407 55.329 55.803 -0.112 0.000 0.904 450 Q CB 1.448 30.111 28.738 -0.125 0.000 1.238 450 Q HN 0.530 nan 8.270 nan 0.000 0.469 451 E N 1.201 121.407 120.200 0.010 0.000 2.311 451 E HA 0.227 4.566 4.350 -0.017 0.000 0.281 451 E C -1.809 174.804 176.600 0.022 0.000 0.905 451 E CA -0.531 55.916 56.400 0.079 0.000 0.778 451 E CB 1.435 31.273 29.700 0.231 0.000 1.240 451 E HN 0.567 nan 8.360 nan 0.000 0.410 452 D N 1.932 122.339 120.400 0.012 0.000 2.506 452 D HA 0.085 4.715 4.640 -0.017 0.000 0.234 452 D C 1.327 177.562 176.300 -0.108 0.000 1.143 452 D CA 1.044 55.021 54.000 -0.039 0.000 0.871 452 D CB 1.046 41.834 40.800 -0.020 0.000 1.190 452 D HN 0.627 nan 8.370 nan 0.000 0.459 453 G N 2.196 110.888 108.800 -0.179 0.000 2.940 453 G HA2 -0.400 3.550 3.960 -0.017 0.000 0.215 453 G HA3 -0.400 3.550 3.960 -0.017 0.000 0.215 453 G C 1.272 175.992 174.900 -0.299 0.000 1.322 453 G CA 2.588 47.492 45.100 -0.326 0.000 0.781 453 G HN 0.715 nan 8.290 nan 0.000 0.728 454 T N 0.358 114.836 114.554 -0.127 0.000 1.643 454 T HA -0.393 3.947 4.350 -0.017 0.000 0.094 454 T C 1.358 176.103 174.700 0.076 0.000 1.947 454 T CA 3.736 65.830 62.100 -0.011 0.000 0.836 454 T CB -1.773 67.087 68.868 -0.014 0.000 0.819 454 T HN 1.770 nan 8.240 nan 0.000 0.381 455 V N 0.984 120.908 119.914 0.017 0.000 3.016 455 V HA -0.021 4.088 4.120 -0.017 0.000 0.221 455 V C 0.987 177.147 176.094 0.110 0.000 2.028 455 V CA 1.741 64.005 62.300 -0.061 0.000 1.780 455 V CB -1.034 30.770 31.823 -0.032 0.000 0.944 455 V HN 1.390 nan 8.190 nan 0.000 0.524 456 H N -0.227 118.707 119.070 -0.226 0.000 3.854 456 H HA 0.367 4.913 4.556 -0.017 0.000 0.264 456 H C 0.289 174.858 175.328 -1.266 0.000 1.170 456 H CA -0.060 55.431 56.048 -0.929 0.000 1.167 456 H CB 0.117 29.496 29.762 -0.638 0.000 1.558 456 H HN 0.846 nan 8.280 nan 0.000 0.751 457 R N 0.417 120.487 120.500 -0.716 0.000 2.621 457 R HA 0.698 5.028 4.340 -0.017 0.000 0.284 457 R C -1.502 174.709 176.300 -0.148 0.000 0.998 457 R CA -0.526 55.306 56.100 -0.446 0.000 0.895 457 R CB 2.329 32.412 30.300 -0.361 0.000 1.195 457 R HN 0.147 nan 8.270 nan 0.000 0.450 458 T N 1.357 116.020 114.554 0.182 0.000 2.853 458 T HA 0.436 4.776 4.350 -0.017 0.000 0.311 458 T C -1.787 173.512 174.700 0.999 0.000 1.307 458 T CA -0.738 61.700 62.100 0.564 0.000 1.019 458 T CB 1.314 70.391 68.868 0.348 0.000 1.264 458 T HN 0.530 nan 8.240 nan 0.000 0.497 459 Y N 5.040 125.537 120.300 0.328 0.000 2.478 459 Y HA 0.662 5.201 4.550 -0.017 0.000 0.329 459 Y C -0.223 175.440 175.900 -0.394 0.000 0.967 459 Y CA -2.300 55.338 58.100 -0.771 0.000 1.255 459 Y CB -0.686 36.616 38.460 -1.931 0.000 1.103 459 Y HN 0.727 nan 8.280 nan 0.000 0.497 460 L N 2.511 123.421 121.223 -0.521 0.000 2.482 460 L HA 0.532 4.861 4.340 -0.017 0.000 0.273 460 L C 0.074 176.469 176.870 -0.793 0.000 1.228 460 L CA -0.443 54.010 54.840 -0.646 0.000 0.827 460 L CB 0.495 42.035 42.059 -0.865 0.000 1.099 460 L HN 0.639 nan 8.230 nan 0.000 0.494 461 R N 1.831 122.003 120.500 -0.547 0.000 2.734 461 R HA 0.393 4.723 4.340 -0.017 0.000 0.268 461 R C -0.040 176.213 176.300 -0.080 0.000 1.785 461 R CA 0.033 55.873 56.100 -0.435 0.000 1.461 461 R CB 1.333 31.308 30.300 -0.541 0.000 1.308 461 R HN 1.014 nan 8.270 nan 0.000 0.586 462 G N 0.637 109.429 108.800 -0.013 0.000 3.069 462 G HA2 0.063 4.012 3.960 -0.017 0.000 0.205 462 G HA3 0.063 4.012 3.960 -0.017 0.000 0.205 462 G C 0.247 175.160 174.900 0.022 0.000 1.771 462 G CA 0.061 45.238 45.100 0.128 0.000 0.739 462 G HN 0.353 nan 8.290 nan 0.000 0.784 463 N N -0.131 118.599 118.700 0.050 0.000 2.330 463 N HA 0.147 4.877 4.740 -0.017 0.000 0.249 463 N C 0.046 175.590 175.510 0.056 0.000 1.413 463 N CA -0.300 52.767 53.050 0.029 0.000 0.817 463 N CB 0.195 38.706 38.487 0.041 0.000 1.362 463 N HN 0.351 nan 8.380 nan 0.000 0.499 464 L N -0.392 120.855 121.223 0.039 0.000 2.461 464 L HA 0.700 5.029 4.340 -0.017 0.000 0.259 464 L C 0.715 177.703 176.870 0.196 0.000 1.248 464 L CA -0.442 54.496 54.840 0.163 0.000 0.823 464 L CB -0.172 41.837 42.059 -0.083 0.000 1.111 464 L HN 0.009 nan 8.230 nan 0.000 0.516 465 A N -0.650 122.361 122.820 0.319 0.000 2.430 465 A HA 0.814 5.124 4.320 -0.017 0.000 0.300 465 A C -0.512 177.125 177.584 0.087 0.000 1.124 465 A CA -0.652 51.470 52.037 0.141 0.000 0.766 465 A CB 1.102 20.142 19.000 0.067 0.000 1.328 465 A HN 0.828 nan 8.150 nan 0.000 0.424 466 E N -0.307 119.907 120.200 0.024 0.000 2.254 466 E HA 0.574 4.914 4.350 -0.017 0.000 0.258 466 E C 0.281 176.820 176.600 -0.101 0.000 1.033 466 E CA -0.135 56.261 56.400 -0.007 0.000 0.893 466 E CB 0.635 30.357 29.700 0.037 0.000 1.204 466 E HN 0.918 nan 8.360 nan 0.000 0.425 467 S N -1.256 114.368 115.700 -0.127 0.000 2.616 467 S HA -0.173 4.287 4.470 -0.017 0.000 0.254 467 S C 0.445 174.733 174.600 -0.519 0.000 1.299 467 S CA 1.949 60.005 58.200 -0.240 0.000 1.553 467 S CB -0.956 62.174 63.200 -0.117 0.000 1.999 467 S HN 0.535 nan 8.310 nan 0.000 0.677 468 K N 1.012 121.148 120.400 -0.441 0.000 2.174 468 K HA 0.491 4.801 4.320 -0.017 0.000 0.275 468 K C -0.076 176.091 176.600 -0.723 0.000 1.015 468 K CA -0.384 55.588 56.287 -0.525 0.000 0.933 468 K CB 1.360 33.636 32.500 -0.373 0.000 1.025 468 K HN 0.428 nan 8.250 nan 0.000 0.463 469 C N 5.470 124.421 119.300 -0.581 0.000 2.291 469 C HA 0.477 4.927 4.460 -0.017 0.000 0.322 469 C C -0.737 174.217 174.990 -0.059 0.000 1.205 469 C CA -0.814 58.169 59.018 -0.058 0.000 1.495 469 C CB -1.399 26.623 27.740 0.470 0.000 2.127 469 C HN 0.616 nan 8.230 nan 0.000 0.452 470 Y N 4.671 125.132 120.300 0.270 0.000 2.309 470 Y HA 0.542 5.082 4.550 -0.017 0.000 0.327 470 Y C 0.277 176.307 175.900 0.215 0.000 1.172 470 Y CA -0.316 57.914 58.100 0.217 0.000 1.280 470 Y CB 0.662 39.201 38.460 0.132 0.000 1.234 470 Y HN 0.606 nan 8.280 nan 0.000 0.512 471 L N 4.710 126.172 121.223 0.398 0.000 2.309 471 L HA 0.594 4.923 4.340 -0.017 0.000 0.282 471 L C -1.011 176.055 176.870 0.327 0.000 1.036 471 L CA -0.667 54.347 54.840 0.290 0.000 0.806 471 L CB 0.720 42.907 42.059 0.214 0.000 1.220 471 L HN 0.529 nan 8.230 nan 0.000 0.429 472 I N 3.921 124.634 120.570 0.238 0.000 2.439 472 I HA 0.325 4.484 4.170 -0.017 0.000 0.285 472 I C -0.524 175.684 176.117 0.153 0.000 1.021 472 I CA -0.337 61.101 61.300 0.230 0.000 1.091 472 I CB 1.989 40.069 38.000 0.134 0.000 1.242 472 I HN 0.592 nan 8.210 nan 0.000 0.439 473 T N 4.973 119.622 114.554 0.158 0.000 2.837 473 T HA 0.509 4.849 4.350 -0.017 0.000 0.285 473 T C -0.157 174.574 174.700 0.052 0.000 0.984 473 T CA -0.660 61.492 62.100 0.086 0.000 1.049 473 T CB 1.943 70.861 68.868 0.083 0.000 0.947 473 T HN 0.180 nan 8.240 nan 0.000 0.472 474 V N 3.469 123.352 119.914 -0.052 0.000 2.304 474 V HA 0.334 4.444 4.120 -0.017 0.000 0.278 474 V C 0.185 176.186 176.094 -0.154 0.000 1.018 474 V CA -0.860 61.327 62.300 -0.189 0.000 0.814 474 V CB 0.760 32.283 31.823 -0.499 0.000 1.021 474 V HN 1.050 nan 8.190 nan 0.000 0.440 475 T N 7.537 122.083 114.554 -0.014 0.000 2.767 475 T HA 0.441 4.781 4.350 -0.017 0.000 0.288 475 T C -2.530 172.235 174.700 0.108 0.000 0.963 475 T CA -1.258 60.892 62.100 0.084 0.000 1.019 475 T CB 1.758 70.767 68.868 0.235 0.000 0.923 475 T HN 0.455 nan 8.240 nan 0.000 0.468 476 P HA 0.437 nan 4.420 nan 0.000 0.292 476 P C -1.111 176.283 177.300 0.157 0.000 1.283 476 P CA -0.696 62.538 63.100 0.223 0.000 0.835 476 P CB 1.247 33.083 31.700 0.226 0.000 1.017 477 V N 4.148 124.040 119.914 -0.036 0.000 2.357 477 V HA 0.394 4.504 4.120 -0.017 0.000 0.284 477 V C -0.140 175.896 176.094 -0.095 0.000 1.018 477 V CA -0.508 61.840 62.300 0.080 0.000 0.841 477 V CB -0.151 31.696 31.823 0.040 0.000 0.991 477 V HN 0.470 nan 8.190 nan 0.000 0.437 478 Y N 2.031 122.429 120.300 0.163 0.000 2.732 478 Y HA 0.668 5.208 4.550 -0.017 0.000 0.327 478 Y C 1.852 177.802 175.900 0.082 0.000 1.162 478 Y CA -0.599 57.563 58.100 0.102 0.000 1.238 478 Y CB 0.864 39.386 38.460 0.104 0.000 1.443 478 Y HN 0.528 nan 8.280 nan 0.000 0.584 479 A N 0.750 123.714 122.820 0.240 0.000 1.894 479 A HA -0.326 3.984 4.320 -0.017 0.000 0.220 479 A C 1.002 178.626 177.584 0.066 0.000 1.237 479 A CA 2.765 54.868 52.037 0.111 0.000 0.660 479 A CB -1.315 17.726 19.000 0.069 0.000 0.835 479 A HN 0.871 nan 8.150 nan 0.000 0.461 480 D N -3.242 117.155 120.400 -0.004 0.000 2.670 480 D HA 0.476 5.106 4.640 -0.017 0.000 0.255 480 D C 0.416 176.565 176.300 -0.252 0.000 1.286 480 D CA 0.560 54.475 54.000 -0.141 0.000 0.830 480 D CB 0.012 40.657 40.800 -0.258 0.000 1.065 480 D HN 0.931 nan 8.370 nan 0.000 0.486 481 G N -0.320 108.506 108.800 0.043 0.000 2.359 481 G HA2 0.164 4.114 3.960 -0.017 0.000 0.303 481 G HA3 0.164 4.114 3.960 -0.017 0.000 0.303 481 G C -3.247 172.011 174.900 0.597 0.000 1.293 481 G CA -1.157 44.123 45.100 0.301 0.000 0.964 481 G HN 0.017 nan 8.290 nan 0.000 0.531 482 P HA 0.532 nan 4.420 nan 0.000 0.282 482 P C 0.309 177.924 177.300 0.525 0.000 1.259 482 P CA 0.171 63.632 63.100 0.603 0.000 0.826 482 P CB 1.438 33.431 31.700 0.489 0.000 1.064 483 G N 0.258 109.334 108.800 0.460 0.000 2.412 483 G HA2 0.406 4.355 3.960 -0.017 0.000 0.318 483 G HA3 0.406 4.355 3.960 -0.017 0.000 0.318 483 G C -0.469 174.515 174.900 0.140 0.000 1.146 483 G CA -0.540 44.755 45.100 0.325 0.000 0.882 483 G HN 0.552 nan 8.290 nan 0.000 0.501 484 S N 2.145 117.864 115.700 0.032 0.000 3.480 484 S HA 0.015 4.475 4.470 -0.017 0.000 0.411 484 S C -2.006 172.620 174.600 0.043 0.000 1.164 484 S CA -0.452 57.749 58.200 0.001 0.000 1.084 484 S CB 0.119 63.310 63.200 -0.015 0.000 0.759 484 S HN 0.534 nan 8.310 nan 0.000 0.515 485 P HA 0.523 nan 4.420 nan 0.000 0.281 485 P C -0.453 176.842 177.300 -0.009 0.000 1.264 485 P CA -0.514 62.596 63.100 0.017 0.000 0.824 485 P CB 0.935 32.652 31.700 0.028 0.000 1.092 486 E N -0.206 119.972 120.200 -0.036 0.000 2.369 486 E HA 0.618 4.958 4.350 -0.017 0.000 0.270 486 E C -0.894 175.694 176.600 -0.021 0.000 0.909 486 E CA -0.662 55.720 56.400 -0.030 0.000 0.775 486 E CB 2.238 31.912 29.700 -0.044 0.000 1.270 486 E HN 0.313 nan 8.360 nan 0.000 0.445 487 S N 0.893 116.599 115.700 0.009 0.000 2.541 487 S HA 0.690 5.149 4.470 -0.017 0.000 0.271 487 S C -0.947 173.688 174.600 0.059 0.000 1.133 487 S CA -0.668 57.556 58.200 0.040 0.000 0.876 487 S CB 1.714 64.947 63.200 0.054 0.000 1.105 487 S HN 0.513 nan 8.310 nan 0.000 0.470 488 I N 0.684 121.303 120.570 0.082 0.000 2.841 488 I HA 0.738 4.897 4.170 -0.017 0.000 0.298 488 I C -0.933 175.263 176.117 0.131 0.000 1.304 488 I CA -0.481 60.875 61.300 0.093 0.000 1.019 488 I CB 1.590 39.627 38.000 0.062 0.000 1.282 488 I HN 0.723 nan 8.210 nan 0.000 0.432 489 K N 4.306 124.811 120.400 0.174 0.000 2.123 489 K HA 0.974 5.284 4.320 -0.017 0.000 0.248 489 K C -0.723 175.956 176.600 0.132 0.000 0.969 489 K CA -0.180 56.255 56.287 0.246 0.000 0.882 489 K CB 1.783 34.503 32.500 0.367 0.000 1.080 489 K HN 1.450 nan 8.250 nan 0.000 0.441 490 A N 1.311 124.201 122.820 0.117 0.000 2.401 490 A HA 0.494 4.804 4.320 -0.017 0.000 0.313 490 A C -1.439 176.240 177.584 0.157 0.000 1.013 490 A CA -0.923 51.047 52.037 -0.112 0.000 1.034 490 A CB -0.196 18.762 19.000 -0.069 0.000 1.324 490 A HN 0.663 nan 8.150 nan 0.000 0.366 491 Y N 1.900 122.179 120.300 -0.035 0.000 2.299 491 Y HA 0.409 4.949 4.550 -0.017 0.000 0.335 491 Y C 1.610 177.539 175.900 0.049 0.000 1.287 491 Y CA -0.189 57.938 58.100 0.045 0.000 1.424 491 Y CB 0.406 38.884 38.460 0.030 0.000 1.326 491 Y HN 0.799 nan 8.280 nan 0.000 0.567 492 L N -0.751 120.640 121.223 0.280 0.000 2.463 492 L HA 0.461 4.791 4.340 -0.017 0.000 0.219 492 L C 0.462 177.402 176.870 0.117 0.000 1.088 492 L CA 1.005 55.941 54.840 0.159 0.000 0.849 492 L CB -0.678 41.459 42.059 0.130 0.000 1.012 492 L HN 0.493 nan 8.230 nan 0.000 0.468 493 K N 0.175 120.658 120.400 0.138 0.000 2.570 493 K HA 0.657 4.967 4.320 -0.017 0.000 0.256 493 K C -1.037 175.643 176.600 0.133 0.000 0.939 493 K CA -0.420 55.928 56.287 0.102 0.000 0.833 493 K CB 0.381 32.920 32.500 0.065 0.000 1.318 493 K HN 0.369 nan 8.250 nan 0.000 0.433 494 Q N 0.269 120.150 119.800 0.135 0.000 2.226 494 Q HA 0.812 5.141 4.340 -0.017 0.000 0.256 494 Q C -0.177 175.887 176.000 0.108 0.000 0.962 494 Q CA -0.692 55.219 55.803 0.179 0.000 0.887 494 Q CB 2.207 31.075 28.738 0.216 0.000 1.282 494 Q HN 0.959 nan 8.270 nan 0.000 0.449 495 A N 2.262 125.142 122.820 0.100 0.000 2.330 495 A HA 0.784 5.094 4.320 -0.017 0.000 0.329 495 A C -2.547 175.087 177.584 0.084 0.000 1.135 495 A CA -1.895 50.183 52.037 0.069 0.000 0.817 495 A CB 0.740 19.763 19.000 0.037 0.000 1.269 495 A HN 0.444 nan 8.150 nan 0.000 0.469 496 P HA 0.369 nan 4.420 nan 0.000 0.280 496 P C -2.559 174.769 177.300 0.046 0.000 1.244 496 P CA -1.188 61.955 63.100 0.072 0.000 0.784 496 P CB -0.088 31.657 31.700 0.075 0.000 0.913 497 P HA -0.137 nan 4.420 nan 0.000 0.271 497 P C 0.903 178.211 177.300 0.014 0.000 1.212 497 P CA 0.499 63.614 63.100 0.024 0.000 0.788 497 P CB 0.153 31.854 31.700 0.001 0.000 0.865 498 S N -0.409 115.297 115.700 0.010 0.000 2.371 498 S HA 0.033 4.493 4.470 -0.017 0.000 0.219 498 S C 0.915 175.518 174.600 0.004 0.000 1.040 498 S CA 0.552 58.756 58.200 0.006 0.000 0.958 498 S CB -0.339 62.862 63.200 0.003 0.000 0.860 498 S HN 0.257 nan 8.310 nan 0.000 0.487 499 K N 1.565 121.968 120.400 0.005 0.000 2.863 499 K HA 0.686 4.996 4.320 -0.017 0.000 0.304 499 K C 0.403 177.001 176.600 -0.002 0.000 1.015 499 K CA 0.037 56.328 56.287 0.005 0.000 1.093 499 K CB -0.460 32.047 32.500 0.011 0.000 1.345 499 K HN 0.498 nan 8.250 nan 0.000 0.500 500 G N 1.106 109.905 108.800 -0.001 0.000 2.596 500 G HA2 0.302 4.251 3.960 -0.017 0.000 0.296 500 G HA3 0.302 4.251 3.960 -0.017 0.000 0.296 500 G C -3.066 171.827 174.900 -0.013 0.000 1.513 500 G CA -0.866 44.223 45.100 -0.018 0.000 0.851 500 G HN 0.184 nan 8.290 nan 0.000 0.548 501 P HA 0.222 nan 4.420 nan 0.000 0.267 501 P C -0.033 177.270 177.300 0.004 0.000 1.200 501 P CA 0.271 63.343 63.100 -0.046 0.000 0.772 501 P CB 0.744 32.308 31.700 -0.226 0.000 0.855 502 T N 2.318 116.910 114.554 0.063 0.000 2.728 502 T HA 0.230 4.570 4.350 -0.017 0.000 0.296 502 T C 0.497 175.295 174.700 0.163 0.000 0.940 502 T CA -0.300 61.867 62.100 0.111 0.000 1.013 502 T CB 0.683 69.621 68.868 0.117 0.000 0.912 502 T HN 0.204 nan 8.240 nan 0.000 0.484 503 V N 4.065 124.080 119.914 0.168 0.000 3.596 503 V HA 0.729 4.839 4.120 -0.017 0.000 0.288 503 V C 0.161 176.389 176.094 0.222 0.000 1.021 503 V CA -0.346 62.035 62.300 0.134 0.000 1.020 503 V CB 1.385 33.188 31.823 -0.033 0.000 1.243 503 V HN 0.941 nan 8.190 nan 0.000 0.433 504 R N 0.095 120.568 120.500 -0.044 0.000 5.084 504 R HA 0.166 4.496 4.340 -0.017 0.000 0.244 504 R C -0.768 175.515 176.300 -0.029 0.000 0.947 504 R CA 0.232 56.497 56.100 0.275 0.000 1.334 504 R CB 0.438 31.020 30.300 0.470 0.000 1.209 504 R HN 1.010 nan 8.270 nan 0.000 0.675 505 T N -0.137 114.430 114.554 0.023 0.000 2.732 505 T HA 0.704 5.043 4.350 -0.017 0.000 0.287 505 T C -0.166 174.512 174.700 -0.036 0.000 0.993 505 T CA 0.128 62.159 62.100 -0.114 0.000 0.966 505 T CB 1.306 70.059 68.868 -0.190 0.000 1.047 505 T HN 0.711 nan 8.240 nan 0.000 0.527 506 K N 0.902 121.245 120.400 -0.096 0.000 2.731 506 K HA 0.647 4.957 4.320 -0.017 0.000 0.257 506 K C -0.249 176.309 176.600 -0.070 0.000 1.032 506 K CA -0.331 55.919 56.287 -0.061 0.000 0.983 506 K CB 0.369 32.826 32.500 -0.072 0.000 1.248 506 K HN 1.205 nan 8.250 nan 0.000 0.484 507 K N -0.808 119.567 120.400 -0.041 0.000 2.972 507 K HA -0.042 4.268 4.320 -0.017 0.000 0.853 507 K C -1.238 175.336 176.600 -0.042 0.000 2.102 507 K CA 0.726 56.995 56.287 -0.031 0.000 1.382 507 K CB -0.931 31.547 32.500 -0.037 0.000 2.605 507 K HN 1.747 nan 8.250 nan 0.000 0.218 508 V N -1.675 118.231 119.914 -0.015 0.000 3.625 508 V HA 0.358 4.468 4.120 -0.017 0.000 0.234 508 V C 0.049 176.180 176.094 0.063 0.000 1.619 508 V CA -0.554 61.754 62.300 0.015 0.000 0.966 508 V CB 0.157 32.022 31.823 0.071 0.000 1.056 508 V HN 1.131 nan 8.190 nan 0.000 0.505 509 G N 2.000 110.840 108.800 0.065 0.000 2.616 509 G HA2 0.584 4.534 3.960 -0.017 0.000 0.268 509 G HA3 0.584 4.534 3.960 -0.017 0.000 0.268 509 G C 0.642 175.594 174.900 0.086 0.000 1.213 509 G CA -0.139 45.000 45.100 0.065 0.000 0.926 509 G HN 1.674 nan 8.290 nan 0.000 0.523 510 K N 0.351 120.789 120.400 0.063 0.000 3.358 510 K HA 0.299 4.609 4.320 -0.017 0.000 0.297 510 K C 0.490 177.132 176.600 0.071 0.000 1.064 510 K CA 0.332 56.653 56.287 0.057 0.000 1.144 510 K CB -1.455 31.066 32.500 0.035 0.000 1.289 510 K HN 1.646 nan 8.250 nan 0.000 0.372 511 N N -0.907 117.861 118.700 0.114 0.000 5.216 511 N HA -0.113 4.617 4.740 -0.017 0.000 0.141 511 N C -0.773 174.817 175.510 0.133 0.000 2.026 511 N CA 0.345 53.478 53.050 0.138 0.000 2.519 511 N CB -1.828 36.715 38.487 0.092 0.000 0.589 511 N HN 0.912 nan 8.380 nan 0.000 0.760 512 E N 0.194 120.500 120.200 0.176 0.000 7.503 512 E HA 0.223 4.562 4.350 -0.017 0.000 0.240 512 E C -1.794 174.862 176.600 0.093 0.000 0.847 512 E CA 0.383 56.858 56.400 0.125 0.000 1.600 512 E CB -1.203 28.550 29.700 0.088 0.000 0.902 512 E HN 1.706 nan 8.360 nan 0.000 0.263 513 A N 3.617 126.464 122.820 0.045 0.000 2.469 513 A HA 0.819 5.128 4.320 -0.017 0.000 0.299 513 A C -0.504 177.009 177.584 -0.118 0.000 1.098 513 A CA -0.262 51.727 52.037 -0.079 0.000 0.737 513 A CB 2.113 20.970 19.000 -0.238 0.000 1.312 513 A HN 0.432 nan 8.150 nan 0.000 0.414 514 V N 0.673 120.514 119.914 -0.122 0.000 2.997 514 V HA 0.567 4.677 4.120 -0.017 0.000 0.311 514 V C -0.138 175.863 176.094 -0.155 0.000 1.066 514 V CA -0.228 62.019 62.300 -0.089 0.000 1.039 514 V CB 1.491 33.268 31.823 -0.076 0.000 1.081 514 V HN 0.764 nan 8.190 nan 0.000 0.467 515 L N 1.727 122.882 121.223 -0.114 0.000 2.309 515 L HA 0.694 5.024 4.340 -0.017 0.000 0.261 515 L C -0.878 175.868 176.870 -0.206 0.000 1.021 515 L CA -0.453 54.296 54.840 -0.151 0.000 0.823 515 L CB 2.287 44.296 42.059 -0.084 0.000 1.366 515 L HN 0.702 nan 8.230 nan 0.000 0.423 516 E N 0.158 120.250 120.200 -0.180 0.000 2.291 516 E HA 0.418 4.757 4.350 -0.017 0.000 0.276 516 E C -1.563 174.981 176.600 -0.093 0.000 0.896 516 E CA -0.558 55.691 56.400 -0.252 0.000 0.774 516 E CB 1.119 30.733 29.700 -0.145 0.000 1.227 516 E HN 0.388 nan 8.360 nan 0.000 0.413 517 W N 3.026 124.277 121.300 -0.083 0.000 3.778 517 W HA 0.845 5.495 4.660 -0.017 0.000 0.514 517 W C -1.179 175.307 176.519 -0.055 0.000 1.349 517 W CA -0.192 57.102 57.345 -0.085 0.000 0.858 517 W CB 0.166 29.522 29.460 -0.172 0.000 2.586 517 W HN 0.490 nan 8.180 nan 0.000 0.675 518 D N -1.697 118.986 120.400 0.470 0.000 2.808 518 D HA 0.131 4.761 4.640 -0.017 0.000 0.294 518 D C -1.711 174.792 176.300 0.338 0.000 1.278 518 D CA -0.972 53.210 54.000 0.303 0.000 0.756 518 D CB 0.664 41.543 40.800 0.132 0.000 1.271 518 D HN 0.459 nan 8.370 nan 0.000 0.425 519 Q N 0.183 120.120 119.800 0.229 0.000 2.288 519 Q HA 0.395 4.725 4.340 -0.017 0.000 0.258 519 Q C -0.363 175.714 176.000 0.128 0.000 0.957 519 Q CA -0.630 55.291 55.803 0.196 0.000 0.919 519 Q CB 0.963 29.790 28.738 0.148 0.000 1.185 519 Q HN 0.319 nan 8.270 nan 0.000 0.408 520 L N 6.297 127.589 121.223 0.115 0.000 2.737 520 L HA -0.061 4.268 4.340 -0.017 0.000 0.279 520 L C -2.068 174.838 176.870 0.060 0.000 1.200 520 L CA -0.566 54.318 54.840 0.072 0.000 0.952 520 L CB -0.504 41.592 42.059 0.061 0.000 1.240 520 L HN 0.380 nan 8.230 nan 0.000 0.486 521 P HA 0.188 nan 4.420 nan 0.000 0.284 521 P C 1.027 178.345 177.300 0.031 0.000 1.253 521 P CA -0.687 62.437 63.100 0.040 0.000 0.800 521 P CB 1.194 32.914 31.700 0.034 0.000 0.961 522 V N 2.393 122.324 119.914 0.029 0.000 2.256 522 V HA -0.393 3.717 4.120 -0.017 0.000 0.256 522 V C 1.321 177.423 176.094 0.014 0.000 1.060 522 V CA 2.651 64.970 62.300 0.032 0.000 1.081 522 V CB -2.035 29.804 31.823 0.027 0.000 0.709 522 V HN 0.524 nan 8.190 nan 0.000 0.471 523 D N 0.625 121.022 120.400 -0.005 0.000 2.411 523 D HA -0.060 4.570 4.640 -0.017 0.000 0.226 523 D C 1.431 177.715 176.300 -0.025 0.000 0.988 523 D CA 1.283 55.265 54.000 -0.029 0.000 0.938 523 D CB -0.386 40.400 40.800 -0.024 0.000 0.883 523 D HN 0.656 nan 8.370 nan 0.000 0.525 524 V N -3.473 116.439 119.914 -0.003 0.000 3.635 524 V HA 0.078 4.188 4.120 -0.017 0.000 0.266 524 V C 1.814 177.916 176.094 0.013 0.000 1.316 524 V CA -0.020 62.281 62.300 0.002 0.000 1.060 524 V CB -0.318 31.511 31.823 0.011 0.000 0.820 524 V HN -0.053 nan 8.190 nan 0.000 0.447 525 Q N 1.528 121.347 119.800 0.032 0.000 2.046 525 Q HA -0.094 4.235 4.340 -0.017 0.000 0.200 525 Q C 0.497 176.549 176.000 0.088 0.000 0.975 525 Q CA 1.570 57.417 55.803 0.072 0.000 0.836 525 Q CB -0.306 28.509 28.738 0.129 0.000 0.896 525 Q HN 0.803 nan 8.270 nan 0.000 0.428 526 N N -0.258 118.459 118.700 0.029 0.000 2.740 526 N HA -0.147 4.583 4.740 -0.017 0.000 0.248 526 N C -0.619 175.043 175.510 0.253 0.000 1.062 526 N CA 0.624 53.647 53.050 -0.045 0.000 0.704 526 N CB -1.199 37.280 38.487 -0.014 0.000 0.968 526 N HN 0.503 nan 8.380 nan 0.000 0.547 527 G N -1.558 107.760 108.800 0.863 0.000 2.307 527 G HA2 0.147 4.097 3.960 -0.017 0.000 0.348 527 G HA3 0.147 4.097 3.960 -0.017 0.000 0.348 527 G C -0.773 174.395 174.900 0.446 0.000 1.603 527 G CA -1.158 44.725 45.100 1.305 0.000 0.961 527 G HN 0.159 nan 8.290 nan 0.000 0.686 528 F N 1.290 121.093 119.950 -0.245 0.000 2.477 528 F HA 0.053 4.570 4.527 -0.017 0.000 0.392 528 F C 1.311 177.063 175.800 -0.079 0.000 1.028 528 F CA -0.443 57.443 58.000 -0.190 0.000 1.069 528 F CB 0.328 39.167 39.000 -0.268 0.000 0.970 528 F HN 0.139 nan 8.300 nan 0.000 0.540 529 I N 6.335 126.886 120.570 -0.031 0.000 2.460 529 I HA -0.029 4.130 4.170 -0.017 0.000 0.297 529 I C 1.433 177.484 176.117 -0.109 0.000 1.139 529 I CA 0.163 61.416 61.300 -0.078 0.000 1.340 529 I CB -0.207 37.701 38.000 -0.152 0.000 1.444 529 I HN 0.581 nan 8.210 nan 0.000 0.557 530 R N 4.888 125.359 120.500 -0.049 0.000 2.171 530 R HA -0.153 4.176 4.340 -0.017 0.000 0.226 530 R C 0.327 176.531 176.300 -0.160 0.000 1.113 530 R CA 1.462 57.524 56.100 -0.063 0.000 0.887 530 R CB -0.683 29.599 30.300 -0.030 0.000 0.830 530 R HN 0.783 nan 8.270 nan 0.000 0.432 531 N N -2.276 116.308 118.700 -0.193 0.000 2.710 531 N HA 0.152 4.881 4.740 -0.017 0.000 0.257 531 N C -1.634 173.714 175.510 -0.270 0.000 1.327 531 N CA -0.691 52.212 53.050 -0.245 0.000 0.861 531 N CB 0.359 38.802 38.487 -0.073 0.000 1.532 531 N HN -0.017 nan 8.380 nan 0.000 0.499 532 Y N -0.443 119.856 120.300 -0.001 0.000 2.328 532 Y HA 0.532 5.072 4.550 -0.017 0.000 0.337 532 Y C 0.344 176.217 175.900 -0.046 0.000 1.008 532 Y CA -0.522 57.502 58.100 -0.127 0.000 1.129 532 Y CB 1.859 40.092 38.460 -0.378 0.000 1.185 532 Y HN 0.399 nan 8.280 nan 0.000 0.476 533 T N 5.891 120.500 114.554 0.091 0.000 2.749 533 T HA 0.495 4.834 4.350 -0.017 0.000 0.287 533 T C -0.164 174.471 174.700 -0.109 0.000 0.970 533 T CA -0.628 61.441 62.100 -0.052 0.000 0.980 533 T CB -0.070 68.726 68.868 -0.121 0.000 0.924 533 T HN 0.484 nan 8.240 nan 0.000 0.456 534 I N 2.888 123.408 120.570 -0.083 0.000 2.359 534 I HA 0.554 4.713 4.170 -0.017 0.000 0.284 534 I C -0.944 175.171 176.117 -0.004 0.000 1.018 534 I CA -1.014 60.282 61.300 -0.007 0.000 1.173 534 I CB 0.328 38.274 38.000 -0.089 0.000 1.326 534 I HN 0.294 nan 8.210 nan 0.000 0.462 535 F N 5.645 125.456 119.950 -0.232 0.000 2.507 535 F HA 0.815 5.332 4.527 -0.017 0.000 0.327 535 F C -0.726 174.975 175.800 -0.165 0.000 1.068 535 F CA -2.857 54.948 58.000 -0.325 0.000 0.965 535 F CB 0.423 39.319 39.000 -0.174 0.000 1.192 535 F HN 0.557 nan 8.300 nan 0.000 0.476 536 Y N 0.200 120.534 120.300 0.057 0.000 2.479 536 Y HA 0.759 5.299 4.550 -0.017 0.000 0.338 536 Y C -0.708 175.150 175.900 -0.071 0.000 1.055 536 Y CA -1.530 56.536 58.100 -0.056 0.000 1.023 536 Y CB 1.981 40.389 38.460 -0.087 0.000 1.287 536 Y HN 0.985 nan 8.280 nan 0.000 0.447 537 R N 1.240 121.831 120.500 0.152 0.000 2.939 537 R HA 0.787 5.117 4.340 -0.017 0.000 0.254 537 R C -0.853 175.477 176.300 0.050 0.000 1.123 537 R CA -0.148 55.991 56.100 0.065 0.000 1.020 537 R CB 2.080 32.411 30.300 0.052 0.000 1.206 537 R HN 0.909 nan 8.270 nan 0.000 0.491 538 T N -1.506 113.090 114.554 0.070 0.000 2.898 538 T HA 0.241 4.581 4.350 -0.017 0.000 0.283 538 T C 1.165 175.883 174.700 0.030 0.000 1.059 538 T CA -0.577 61.582 62.100 0.097 0.000 0.958 538 T CB 0.313 69.245 68.868 0.106 0.000 1.594 538 T HN 0.540 nan 8.240 nan 0.000 0.598 539 I N -0.072 120.498 120.570 -0.001 0.000 2.400 539 I HA 0.134 4.294 4.170 -0.017 0.000 0.248 539 I C 1.892 178.007 176.117 -0.004 0.000 1.109 539 I CA 0.594 61.886 61.300 -0.013 0.000 1.425 539 I CB -0.562 37.417 38.000 -0.034 0.000 1.094 539 I HN 0.635 nan 8.210 nan 0.000 0.425 540 I N 1.638 122.208 120.570 -0.001 0.000 2.830 540 I HA 0.091 4.251 4.170 -0.017 0.000 0.263 540 I C 1.388 177.513 176.117 0.014 0.000 1.230 540 I CA 1.129 62.432 61.300 0.004 0.000 1.480 540 I CB -1.914 36.089 38.000 0.004 0.000 1.095 540 I HN 0.476 nan 8.210 nan 0.000 0.455 541 G N 2.419 111.231 108.800 0.021 0.000 2.359 541 G HA2 -0.364 3.586 3.960 -0.017 0.000 0.298 541 G HA3 -0.364 3.586 3.960 -0.017 0.000 0.298 541 G C 0.525 175.444 174.900 0.031 0.000 1.030 541 G CA 0.789 45.904 45.100 0.025 0.000 1.149 541 G HN 0.600 nan 8.290 nan 0.000 0.512 542 N N 0.258 118.982 118.700 0.041 0.000 2.148 542 N HA 0.205 4.935 4.740 -0.017 0.000 0.186 542 N C 0.800 176.353 175.510 0.072 0.000 1.031 542 N CA 1.033 54.113 53.050 0.051 0.000 0.848 542 N CB -0.114 38.404 38.487 0.052 0.000 1.005 542 N HN 1.073 nan 8.380 nan 0.000 0.427 543 E N -1.994 118.266 120.200 0.100 0.000 8.758 543 E HA -0.175 4.165 4.350 -0.017 0.000 0.496 543 E C -1.176 175.556 176.600 0.220 0.000 1.445 543 E CA 0.701 57.202 56.400 0.168 0.000 2.594 543 E CB -1.222 28.545 29.700 0.111 0.000 1.072 543 E HN 0.690 nan 8.360 nan 0.000 0.319 544 T N -2.490 112.215 114.554 0.251 0.000 2.669 544 T HA 0.743 5.082 4.350 -0.017 0.000 0.283 544 T C -1.310 173.406 174.700 0.026 0.000 1.967 544 T CA -0.243 61.959 62.100 0.169 0.000 0.941 544 T CB 0.426 69.461 68.868 0.279 0.000 2.124 544 T HN 1.795 nan 8.240 nan 0.000 0.439 545 A N -0.391 122.354 122.820 -0.124 0.000 2.550 545 A HA 0.751 5.061 4.320 -0.017 0.000 0.295 545 A C -1.013 176.437 177.584 -0.225 0.000 1.001 545 A CA -0.247 51.638 52.037 -0.254 0.000 0.660 545 A CB 0.626 19.540 19.000 -0.143 0.000 1.308 545 A HN 2.333 nan 8.150 nan 0.000 0.426 546 V N -0.737 119.033 119.914 -0.240 0.000 3.046 546 V HA 0.937 5.047 4.120 -0.017 0.000 0.316 546 V C -0.432 175.635 176.094 -0.046 0.000 1.104 546 V CA -0.707 61.541 62.300 -0.087 0.000 1.006 546 V CB 1.825 33.632 31.823 -0.026 0.000 1.058 546 V HN 1.336 nan 8.190 nan 0.000 0.440 547 N N 0.765 119.489 118.700 0.041 0.000 2.319 547 N HA 0.757 5.487 4.740 -0.017 0.000 0.305 547 N C -1.445 174.178 175.510 0.189 0.000 1.103 547 N CA -0.531 52.562 53.050 0.071 0.000 0.815 547 N CB 2.237 40.728 38.487 0.006 0.000 1.288 547 N HN 0.759 nan 8.380 nan 0.000 0.493 548 V N 1.792 121.852 119.914 0.243 0.000 2.709 548 V HA 0.238 4.348 4.120 -0.017 0.000 0.308 548 V C -0.771 175.461 176.094 0.229 0.000 1.062 548 V CA -0.830 61.691 62.300 0.369 0.000 0.901 548 V CB 1.823 34.035 31.823 0.649 0.000 1.003 548 V HN 0.724 nan 8.190 nan 0.000 0.425 549 D N 2.480 122.912 120.400 0.054 0.000 2.892 549 D HA 0.090 4.719 4.640 -0.017 0.000 0.229 549 D C 1.403 177.554 176.300 -0.248 0.000 1.124 549 D CA 1.084 54.962 54.000 -0.204 0.000 1.060 549 D CB -0.187 40.424 40.800 -0.315 0.000 1.182 549 D HN 0.646 nan 8.370 nan 0.000 0.439 550 S N 0.321 115.985 115.700 -0.060 0.000 3.459 550 S HA -0.437 4.023 4.470 -0.017 0.000 0.513 550 S C 2.122 176.818 174.600 0.159 0.000 1.143 550 S CA 2.955 61.131 58.200 -0.040 0.000 3.303 550 S CB -1.417 61.687 63.200 -0.161 0.000 2.115 550 S HN 0.615 nan 8.310 nan 0.000 0.487 551 S N 2.236 117.948 115.700 0.020 0.000 2.399 551 S HA -0.234 4.226 4.470 -0.017 0.000 0.235 551 S C 0.646 175.387 174.600 0.236 0.000 1.063 551 S CA 1.811 60.060 58.200 0.081 0.000 1.070 551 S CB -1.457 61.743 63.200 0.000 0.000 0.904 551 S HN 0.895 nan 8.310 nan 0.000 0.456 552 H N 1.635 120.862 119.070 0.261 0.000 3.115 552 H HA 0.108 4.654 4.556 -0.017 0.000 0.324 552 H C 1.330 176.847 175.328 0.315 0.000 1.007 552 H CA 0.528 56.723 56.048 0.244 0.000 1.385 552 H CB 0.467 30.407 29.762 0.297 0.000 1.351 552 H HN 0.557 nan 8.280 nan 0.000 0.592 553 T N -0.211 114.315 114.554 -0.047 0.000 2.975 553 T HA 0.174 4.514 4.350 -0.017 0.000 0.257 553 T C 0.457 174.329 174.700 -1.380 0.000 1.003 553 T CA -0.159 61.512 62.100 -0.714 0.000 0.932 553 T CB 0.753 69.406 68.868 -0.358 0.000 1.087 553 T HN 0.556 nan 8.240 nan 0.000 0.512 554 E N -0.834 118.842 120.200 -0.873 0.000 2.489 554 E HA 0.721 5.061 4.350 -0.017 0.000 0.201 554 E C -0.812 175.573 176.600 -0.357 0.000 0.752 554 E CA -0.892 55.085 56.400 -0.705 0.000 0.948 554 E CB 1.346 30.809 29.700 -0.396 0.000 1.871 554 E HN 0.080 nan 8.360 nan 0.000 0.383 555 Y N -0.863 119.265 120.300 -0.286 0.000 1.958 555 Y HA 0.244 4.783 4.550 -0.017 0.000 0.065 555 Y C -0.898 174.936 175.900 -0.109 0.000 1.360 555 Y CA 0.551 58.565 58.100 -0.143 0.000 1.660 555 Y CB 1.460 39.911 38.460 -0.016 0.000 1.362 555 Y HN 0.441 nan 8.280 nan 0.000 0.182 556 T N 1.300 116.209 114.554 0.591 0.000 4.768 556 T HA 0.079 4.419 4.350 -0.017 0.000 0.194 556 T C -1.842 173.083 174.700 0.375 0.000 0.942 556 T CA -0.192 62.092 62.100 0.306 0.000 1.324 556 T CB -1.483 67.443 68.868 0.096 0.000 1.094 556 T HN 0.321 nan 8.240 nan 0.000 0.483 557 L N 2.886 124.230 121.223 0.202 0.000 2.640 557 L HA 0.268 4.598 4.340 -0.017 0.000 0.280 557 L C 0.876 177.827 176.870 0.135 0.000 1.229 557 L CA 1.173 56.083 54.840 0.117 0.000 0.919 557 L CB 0.441 42.558 42.059 0.097 0.000 1.168 557 L HN 0.450 nan 8.230 nan 0.000 0.496 558 S N 0.315 116.104 115.700 0.148 0.000 2.634 558 S HA 0.565 5.025 4.470 -0.017 0.000 0.296 558 S C -0.297 174.357 174.600 0.090 0.000 1.104 558 S CA -0.558 57.715 58.200 0.121 0.000 0.920 558 S CB 1.775 65.060 63.200 0.141 0.000 1.111 558 S HN 0.723 nan 8.310 nan 0.000 0.493 559 S N 0.434 116.182 115.700 0.079 0.000 3.609 559 S HA -0.175 4.285 4.470 -0.017 0.000 0.244 559 S C -0.056 174.580 174.600 0.060 0.000 0.742 559 S CA 0.337 58.578 58.200 0.069 0.000 1.380 559 S CB -2.005 61.230 63.200 0.060 0.000 1.370 559 S HN 0.607 nan 8.310 nan 0.000 0.411 560 L N 0.981 122.262 121.223 0.097 0.000 2.299 560 L HA 0.671 5.001 4.340 -0.017 0.000 0.268 560 L C 1.056 178.041 176.870 0.192 0.000 1.012 560 L CA -1.414 53.529 54.840 0.172 0.000 0.816 560 L CB 0.610 42.876 42.059 0.344 0.000 1.355 560 L HN 0.328 nan 8.230 nan 0.000 0.457 561 T N -0.217 114.476 114.554 0.231 0.000 2.828 561 T HA 0.158 4.498 4.350 -0.017 0.000 0.290 561 T C 0.082 174.794 174.700 0.020 0.000 1.019 561 T CA -0.428 61.715 62.100 0.071 0.000 1.031 561 T CB 0.806 69.666 68.868 -0.014 0.000 1.001 561 T HN 0.567 nan 8.240 nan 0.000 0.531 562 S N 2.391 118.088 115.700 -0.005 0.000 2.399 562 S HA 0.358 4.817 4.470 -0.017 0.000 0.301 562 S C -0.053 174.512 174.600 -0.058 0.000 1.093 562 S CA -0.551 57.640 58.200 -0.014 0.000 1.077 562 S CB -0.029 63.171 63.200 -0.001 0.000 0.980 562 S HN 0.866 nan 8.310 nan 0.000 0.494 563 D N 1.561 121.911 120.400 -0.084 0.000 2.942 563 D HA -0.135 4.494 4.640 -0.017 0.000 0.251 563 D C -0.730 175.446 176.300 -0.208 0.000 1.054 563 D CA 0.625 54.556 54.000 -0.115 0.000 0.826 563 D CB -1.321 39.433 40.800 -0.076 0.000 1.044 563 D HN 0.579 nan 8.370 nan 0.000 0.429 564 T N 0.452 114.789 114.554 -0.362 0.000 2.893 564 T HA 0.550 4.890 4.350 -0.017 0.000 0.291 564 T C -0.224 174.038 174.700 -0.729 0.000 1.028 564 T CA -1.115 60.616 62.100 -0.616 0.000 0.995 564 T CB 2.135 70.391 68.868 -1.020 0.000 1.051 564 T HN 0.218 nan 8.240 nan 0.000 0.470 565 L N 2.968 123.863 121.223 -0.546 0.000 2.292 565 L HA 0.505 4.835 4.340 -0.017 0.000 0.284 565 L C -1.489 175.136 176.870 -0.407 0.000 1.065 565 L CA -0.447 54.151 54.840 -0.404 0.000 0.806 565 L CB 0.235 42.177 42.059 -0.196 0.000 1.175 565 L HN 0.694 nan 8.230 nan 0.000 0.431 566 Y N 4.830 124.879 120.300 -0.418 0.000 2.406 566 Y HA 0.516 5.056 4.550 -0.017 0.000 0.340 566 Y C 0.074 175.800 175.900 -0.291 0.000 0.975 566 Y CA -1.361 56.446 58.100 -0.488 0.000 1.056 566 Y CB 1.969 39.807 38.460 -1.036 0.000 1.210 566 Y HN 0.479 nan 8.280 nan 0.000 0.448 567 M N 4.779 124.415 119.600 0.061 0.000 2.465 567 M HA 0.807 5.277 4.480 -0.017 0.000 0.316 567 M C -0.307 176.061 176.300 0.112 0.000 1.121 567 M CA -1.094 54.263 55.300 0.096 0.000 0.934 567 M CB 2.113 34.748 32.600 0.058 0.000 1.692 567 M HN 0.396 nan 8.290 nan 0.000 0.444 568 V N 0.048 120.042 119.914 0.133 0.000 3.528 568 V HA 0.871 4.981 4.120 -0.017 0.000 0.301 568 V C -0.800 175.300 176.094 0.010 0.000 1.332 568 V CA -0.712 61.637 62.300 0.083 0.000 1.004 568 V CB 2.319 34.190 31.823 0.081 0.000 1.222 568 V HN 1.106 nan 8.190 nan 0.000 0.478 569 R N 0.881 121.374 120.500 -0.011 0.000 7.215 569 R HA 0.243 4.573 4.340 -0.017 0.000 0.247 569 R C -1.892 174.435 176.300 0.044 0.000 0.862 569 R CA 0.126 56.212 56.100 -0.022 0.000 1.807 569 R CB 0.076 30.319 30.300 -0.095 0.000 1.149 569 R HN 1.269 nan 8.270 nan 0.000 0.880 570 M N 3.387 123.019 119.600 0.053 0.000 2.204 570 M HA 0.726 5.196 4.480 -0.017 0.000 0.293 570 M C -0.937 175.353 176.300 -0.018 0.000 0.994 570 M CA -0.615 54.721 55.300 0.059 0.000 0.925 570 M CB 2.311 34.841 32.600 -0.117 0.000 1.577 570 M HN 0.574 nan 8.290 nan 0.000 0.439 571 A N 3.209 126.028 122.820 -0.002 0.000 2.327 571 A HA 0.872 5.182 4.320 -0.017 0.000 0.283 571 A C -0.070 177.294 177.584 -0.367 0.000 1.127 571 A CA -0.387 51.513 52.037 -0.229 0.000 0.810 571 A CB 0.547 19.339 19.000 -0.348 0.000 1.066 571 A HN 1.126 nan 8.150 nan 0.000 0.492 572 A N 1.324 123.939 122.820 -0.342 0.000 2.306 572 A HA 0.738 5.047 4.320 -0.017 0.000 0.330 572 A C -1.127 176.142 177.584 -0.524 0.000 1.146 572 A CA -0.366 51.455 52.037 -0.361 0.000 0.827 572 A CB 0.494 19.423 19.000 -0.119 0.000 1.178 572 A HN 0.783 nan 8.150 nan 0.000 0.490 573 Y N 0.317 120.513 120.300 -0.173 0.000 2.361 573 Y HA 0.456 4.996 4.550 -0.017 0.000 0.337 573 Y C 0.540 176.388 175.900 -0.087 0.000 0.965 573 Y CA -0.536 57.499 58.100 -0.108 0.000 1.091 573 Y CB 2.484 40.876 38.460 -0.114 0.000 1.182 573 Y HN 0.710 nan 8.280 nan 0.000 0.450 574 T N -0.985 113.649 114.554 0.134 0.000 2.795 574 T HA 0.234 4.574 4.350 -0.017 0.000 0.282 574 T C 0.353 175.103 174.700 0.084 0.000 0.980 574 T CA -0.732 61.430 62.100 0.104 0.000 1.012 574 T CB 1.274 70.221 68.868 0.131 0.000 0.936 574 T HN 0.664 nan 8.240 nan 0.000 0.457 575 D N 1.681 122.113 120.400 0.052 0.000 3.725 575 D HA -0.353 4.277 4.640 -0.017 0.000 0.413 575 D C 1.628 177.945 176.300 0.028 0.000 1.205 575 D CA 2.076 56.087 54.000 0.019 0.000 1.211 575 D CB -0.389 40.416 40.800 0.009 0.000 0.901 575 D HN 0.713 nan 8.370 nan 0.000 0.578 576 E N 1.229 121.458 120.200 0.048 0.000 2.312 576 E HA -0.116 4.223 4.350 -0.017 0.000 0.209 576 E C 0.818 177.455 176.600 0.062 0.000 1.047 576 E CA 1.697 58.129 56.400 0.054 0.000 0.840 576 E CB -0.562 29.183 29.700 0.075 0.000 0.738 576 E HN 0.561 nan 8.360 nan 0.000 0.478 577 G N -3.533 105.325 108.800 0.096 0.000 2.355 577 G HA2 0.356 4.305 3.960 -0.017 0.000 0.619 577 G HA3 0.356 4.305 3.960 -0.017 0.000 0.619 577 G C -0.050 175.019 174.900 0.281 0.000 1.337 577 G CA -0.321 44.875 45.100 0.161 0.000 0.993 577 G HN 0.506 nan 8.290 nan 0.000 0.599 578 G N -1.027 108.055 108.800 0.471 0.000 2.667 578 G HA2 0.866 4.816 3.960 -0.017 0.000 0.310 578 G HA3 0.866 4.816 3.960 -0.017 0.000 0.310 578 G C -0.742 174.141 174.900 -0.028 0.000 1.259 578 G CA -0.099 45.074 45.100 0.121 0.000 1.019 578 G HN 1.329 nan 8.290 nan 0.000 0.496 579 K N 0.586 120.877 120.400 -0.181 0.000 2.695 579 K HA 0.323 4.632 4.320 -0.017 0.000 0.255 579 K C -1.315 175.221 176.600 -0.106 0.000 1.016 579 K CA -0.623 55.615 56.287 -0.080 0.000 0.928 579 K CB 0.750 33.227 32.500 -0.038 0.000 1.235 579 K HN 0.540 nan 8.250 nan 0.000 0.467 580 D N 2.022 122.395 120.400 -0.047 0.000 2.399 580 D HA 0.311 4.941 4.640 -0.017 0.000 0.241 580 D C 0.950 177.243 176.300 -0.013 0.000 1.133 580 D CA -0.226 53.766 54.000 -0.013 0.000 0.890 580 D CB 0.898 41.752 40.800 0.090 0.000 1.201 580 D HN 0.531 nan 8.370 nan 0.000 0.432 581 G N 0.378 109.169 108.800 -0.016 0.000 2.529 581 G HA2 0.380 4.330 3.960 -0.017 0.000 0.234 581 G HA3 0.380 4.330 3.960 -0.017 0.000 0.234 581 G C -2.181 172.730 174.900 0.019 0.000 1.527 581 G CA -0.770 44.330 45.100 -0.001 0.000 1.062 581 G HN 0.613 nan 8.290 nan 0.000 0.558 582 P HA 0.237 nan 4.420 nan 0.000 0.282 582 P C -0.420 176.940 177.300 0.099 0.000 1.468 582 P CA -0.649 62.487 63.100 0.060 0.000 1.017 582 P CB 1.452 33.195 31.700 0.070 0.000 1.186 583 E N 5.160 125.403 120.200 0.073 0.000 2.534 583 E HA -0.040 4.300 4.350 -0.017 0.000 0.264 583 E C -1.501 175.230 176.600 0.217 0.000 0.981 583 E CA 0.384 56.845 56.400 0.102 0.000 0.948 583 E CB 0.248 29.972 29.700 0.040 0.000 0.934 583 E HN 0.545 nan 8.360 nan 0.000 0.459 584 F N 2.064 122.048 119.950 0.056 0.000 2.608 584 F HA 0.373 4.889 4.527 -0.017 0.000 0.309 584 F C -1.364 174.509 175.800 0.121 0.000 1.103 584 F CA -0.776 57.273 58.000 0.081 0.000 0.954 584 F CB 2.270 41.326 39.000 0.092 0.000 1.267 584 F HN 0.325 nan 8.300 nan 0.000 0.444 585 T N 6.681 121.761 114.554 0.876 0.000 2.864 585 T HA 0.404 4.744 4.350 -0.017 0.000 0.299 585 T C -0.583 174.412 174.700 0.492 0.000 1.011 585 T CA -0.431 61.970 62.100 0.501 0.000 0.975 585 T CB 0.316 69.295 68.868 0.183 0.000 0.962 585 T HN 0.588 nan 8.240 nan 0.000 0.448 586 F N 2.855 123.078 119.950 0.455 0.000 2.672 586 F HA 0.911 5.428 4.527 -0.017 0.000 0.245 586 F C 0.209 176.114 175.800 0.176 0.000 1.151 586 F CA -0.672 57.534 58.000 0.344 0.000 1.018 586 F CB 0.649 39.875 39.000 0.377 0.000 2.068 586 F HN 0.466 nan 8.300 nan 0.000 0.583 587 T N 0.791 115.361 114.554 0.026 0.000 3.854 587 T HA 0.165 4.505 4.350 -0.017 0.000 0.269 587 T C -0.807 173.931 174.700 0.064 0.000 0.650 587 T CA -0.182 61.805 62.100 -0.189 0.000 0.922 587 T CB -1.393 67.387 68.868 -0.146 0.000 1.314 587 T HN 1.200 nan 8.240 nan 0.000 0.471 588 T N 4.619 119.209 114.554 0.061 0.000 2.848 588 T HA 0.274 4.613 4.350 -0.017 0.000 0.340 588 T C -1.983 172.731 174.700 0.024 0.000 1.091 588 T CA -0.496 61.671 62.100 0.113 0.000 1.123 588 T CB -0.167 68.730 68.868 0.048 0.000 1.042 588 T HN 0.361 nan 8.240 nan 0.000 0.544 589 P HA 0.501 nan 4.420 nan 0.000 0.302 589 P C -0.047 177.251 177.300 -0.003 0.000 1.301 589 P CA -0.385 62.727 63.100 0.020 0.000 0.745 589 P CB 0.140 31.860 31.700 0.034 0.000 1.331 590 K N 0.000 120.399 120.400 -0.002 0.000 2.780 590 K HA 0.000 4.310 4.320 -0.017 0.000 0.191 590 K CA 0.000 56.284 56.287 -0.006 0.000 0.838 590 K CB 0.000 32.492 32.500 -0.012 0.000 1.064 590 K HN 0.000 nan 8.250 nan 0.000 0.543