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 2d0g_1_A DATA FIRST_RESID 1 DATA SEQUENCE AANDNNVEWN GLFHDQGPLF DNAPEPTSTQ SVTLKLRTFK GDITSANIKY DATA SEQUENCE WDTADNAFHW VPMVWDSNDP TGTFDYWKGT IPASPSIKYY RFQINDGTST DATA SEQUENCE AWYNGNGPSS TEPNADDFYI IPNFKTPDWL KNGVMYQIFP DRFYNGDSSN DATA SEQUENCE DVQTGSYTYN GTPTEKKAWG SSVYADPGYD NSLVFFGGDL AGIDQKLGYI DATA SEQUENCE KKTLGANILY LNPIFKAPTN HKYDTQDYMA VDPAFGDNST LQTLINDIHS DATA SEQUENCE TANGPKGYLI LDGVFNHTGD SHPWFDKYNN FSSQGAYESQ SSPWYNYYTF DATA SEQUENCE YTWPDSYASF LGFNSLPKLN YGNSGSAVRG VIYNNSNSVA KTYLNPPYSV DATA SEQUENCE DGWRLNAAQY VDANGNNGSD VTNHQIWSEF RNAVKGVNSN AAIIGQYWGN DATA SEQUENCE ANPWTAQGNQ WDAATNFDGF TQPVSEWITG KDYQNNSASI STTQFDSWLR DATA SEQUENCE GTRANYPTNV QQSMMNFLSN HDITRFATRS GGDLWKTYLA LIFQMTYVGT DATA SEQUENCE PTIYYGDEYG MQGGADPDNR RSFDWSQATP SNSAVALTQK LITIRNQYPA DATA SEQUENCE LRTGSFMTLI TDDTNKIYSY GRFDNVNRIA VVLNNDSVSH TVNVPVWQLS DATA SEQUENCE MPNGSTVTDK ITGHSYTVQN GMVTVAVDGH YGAVLAQ 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.573 177.584 -0.019 0.000 1.274 1 A CA 0.000 51.985 52.037 -0.087 0.000 0.836 1 A CB 0.000 19.036 19.000 0.061 0.000 0.831 2 A N 0.158 122.993 122.820 0.024 0.000 2.536 2 A HA 0.743 5.058 4.320 -0.007 0.000 0.293 2 A C -1.601 176.010 177.584 0.045 0.000 1.119 2 A CA -0.727 51.325 52.037 0.025 0.000 0.654 2 A CB 0.639 19.637 19.000 -0.003 0.000 1.291 2 A HN 0.817 nan 8.150 nan 0.000 0.439 3 N N 2.356 121.079 118.700 0.037 0.000 2.415 3 N HA 0.305 5.041 4.740 -0.007 0.000 0.250 3 N C -1.137 174.390 175.510 0.028 0.000 1.127 3 N CA 0.308 53.383 53.050 0.040 0.000 0.945 3 N CB 0.627 39.136 38.487 0.038 0.000 1.196 3 N HN 0.627 nan 8.380 nan 0.000 0.499 4 D N 0.699 121.118 120.400 0.031 0.000 2.785 4 D HA 0.038 4.674 4.640 -0.007 0.000 0.324 4 D C -0.447 175.869 176.300 0.026 0.000 1.523 4 D CA -0.449 53.565 54.000 0.023 0.000 0.789 4 D CB -0.492 40.319 40.800 0.018 0.000 1.171 4 D HN 0.113 nan 8.370 nan 0.000 0.447 5 N N 1.467 120.185 118.700 0.030 0.000 2.725 5 N HA -0.218 4.518 4.740 -0.007 0.000 0.251 5 N C -0.860 174.673 175.510 0.039 0.000 1.031 5 N CA 0.904 53.973 53.050 0.031 0.000 0.720 5 N CB -1.491 37.011 38.487 0.025 0.000 0.930 5 N HN 0.706 nan 8.380 nan 0.000 0.543 6 N N -0.443 118.287 118.700 0.051 0.000 2.616 6 N HA 0.149 4.884 4.740 -0.007 0.000 0.281 6 N C -1.363 174.209 175.510 0.103 0.000 1.145 6 N CA -0.350 52.740 53.050 0.067 0.000 0.919 6 N CB 1.329 39.846 38.487 0.050 0.000 1.509 6 N HN -0.145 nan 8.380 nan 0.000 0.537 7 V N 3.192 123.189 119.914 0.138 0.000 2.385 7 V HA 0.199 4.314 4.120 -0.007 0.000 0.269 7 V C 0.259 176.532 176.094 0.298 0.000 1.043 7 V CA -0.305 62.112 62.300 0.195 0.000 0.906 7 V CB 0.830 32.768 31.823 0.192 0.000 0.995 7 V HN 0.545 nan 8.190 nan 0.000 0.467 8 E N 4.914 125.302 120.200 0.314 0.000 2.052 8 E HA 0.058 4.404 4.350 -0.007 0.000 0.283 8 E C -0.178 176.701 176.600 0.465 0.000 1.071 8 E CA -0.363 56.266 56.400 0.382 0.000 0.851 8 E CB 0.620 30.619 29.700 0.499 0.000 1.066 8 E HN 0.708 nan 8.360 nan 0.000 0.396 9 W N 2.761 124.162 121.300 0.167 0.000 2.325 9 W HA -0.209 4.447 4.660 -0.007 0.000 0.299 9 W C 1.803 178.406 176.519 0.139 0.000 1.215 9 W CA 0.491 57.929 57.345 0.156 0.000 1.244 9 W CB -0.827 28.733 29.460 0.167 0.000 1.140 9 W HN 0.618 nan 8.180 nan 0.000 0.523 10 N N -0.288 118.660 118.700 0.414 0.000 2.149 10 N HA -0.139 4.596 4.740 -0.007 0.000 0.188 10 N C 1.867 177.350 175.510 -0.044 0.000 1.019 10 N CA 1.629 54.864 53.050 0.309 0.000 0.857 10 N CB -0.531 38.268 38.487 0.521 0.000 0.997 10 N HN 0.218 nan 8.380 nan 0.000 0.426 11 G N 0.567 109.019 108.800 -0.581 0.000 2.603 11 G HA2 0.105 4.061 3.960 -0.007 0.000 0.214 11 G HA3 0.105 4.061 3.960 -0.007 0.000 0.214 11 G C 0.742 175.458 174.900 -0.307 0.000 1.140 11 G CA -0.260 44.158 45.100 -1.136 0.000 0.800 11 G HN 0.100 nan 8.290 nan 0.000 0.533 12 L N 0.327 121.475 121.223 -0.126 0.000 2.456 12 L HA 0.508 4.844 4.340 -0.007 0.000 0.272 12 L C -0.456 176.357 176.870 -0.095 0.000 1.189 12 L CA -0.180 54.578 54.840 -0.137 0.000 0.846 12 L CB 0.644 42.637 42.059 -0.110 0.000 1.111 12 L HN 0.125 nan 8.230 nan 0.000 0.475 13 F N 2.761 122.391 119.950 -0.534 0.000 2.725 13 F HA 0.500 5.022 4.527 -0.008 0.000 0.309 13 F C -0.962 174.399 175.800 -0.732 0.000 1.132 13 F CA -0.613 57.075 58.000 -0.520 0.000 0.957 13 F CB 1.293 40.107 39.000 -0.310 0.000 1.286 13 F HN 0.545 nan 8.300 nan 0.000 0.440 14 H N 3.393 121.291 119.070 -1.954 0.000 3.093 14 H HA 0.397 4.949 4.556 -0.007 0.000 0.312 14 H C -2.363 172.333 175.328 -1.053 0.000 1.213 14 H CA -0.187 54.980 56.048 -1.470 0.000 1.366 14 H CB 1.951 31.154 29.762 -0.932 0.000 1.998 14 H HN 0.819 nan 8.280 nan 0.000 0.522 15 D N 2.191 121.663 120.400 -1.546 0.000 2.768 15 D HA 0.066 4.702 4.640 -0.007 0.000 0.327 15 D C -0.568 175.303 176.300 -0.715 0.000 1.302 15 D CA -0.535 53.033 54.000 -0.720 0.000 0.897 15 D CB 0.616 41.325 40.800 -0.151 0.000 1.420 15 D HN 0.515 nan 8.370 nan 0.000 0.494 16 Q N -0.032 119.647 119.800 -0.203 0.000 2.296 16 Q HA 0.433 4.768 4.340 -0.007 0.000 0.273 16 Q C 0.563 176.560 176.000 -0.004 0.000 0.900 16 Q CA -0.426 55.338 55.803 -0.065 0.000 0.993 16 Q CB 0.727 29.510 28.738 0.075 0.000 1.132 16 Q HN 0.478 nan 8.270 nan 0.000 0.439 17 G N 1.190 110.006 108.800 0.027 0.000 2.599 17 G HA2 0.129 4.085 3.960 -0.007 0.000 0.264 17 G HA3 0.129 4.085 3.960 -0.007 0.000 0.264 17 G C -1.931 172.948 174.900 -0.036 0.000 1.200 17 G CA -1.157 43.947 45.100 0.006 0.000 0.896 17 G HN -0.016 nan 8.290 nan 0.000 0.536 18 P HA -0.156 nan 4.420 nan 0.000 0.218 18 P C 2.036 179.189 177.300 -0.245 0.000 1.154 18 P CA 0.984 63.998 63.100 -0.143 0.000 0.872 18 P CB 0.112 31.733 31.700 -0.132 0.000 0.790 19 L N -3.333 117.637 121.223 -0.421 0.000 2.201 19 L HA -0.102 4.234 4.340 -0.007 0.000 0.212 19 L C 1.513 177.841 176.870 -0.903 0.000 1.105 19 L CA 1.257 55.634 54.840 -0.773 0.000 0.775 19 L CB -0.475 40.903 42.059 -1.136 0.000 0.913 19 L HN -0.019 nan 8.230 nan 0.000 0.440 20 F N -2.486 117.399 119.950 -0.109 0.000 2.706 20 F HA 0.275 4.798 4.527 -0.007 0.000 0.308 20 F C 0.280 176.061 175.800 -0.031 0.000 1.095 20 F CA -0.514 57.444 58.000 -0.070 0.000 1.244 20 F CB 0.468 39.350 39.000 -0.195 0.000 1.063 20 F HN -0.155 nan 8.300 nan 0.000 0.582 21 D N 0.399 120.828 120.400 0.048 0.000 2.763 21 D HA 0.099 4.735 4.640 -0.007 0.000 0.235 21 D C 0.016 176.306 176.300 -0.016 0.000 1.334 21 D CA -0.146 53.883 54.000 0.049 0.000 0.950 21 D CB 0.903 41.751 40.800 0.079 0.000 1.433 21 D HN 0.039 nan 8.370 nan 0.000 0.580 22 N N 2.419 121.102 118.700 -0.028 0.000 2.398 22 N HA 0.113 4.849 4.740 -0.007 0.000 0.188 22 N C -0.378 175.112 175.510 -0.034 0.000 1.122 22 N CA -0.212 52.809 53.050 -0.047 0.000 0.866 22 N CB 0.581 39.033 38.487 -0.058 0.000 0.970 22 N HN 0.265 nan 8.380 nan 0.000 0.462 23 A N 1.134 123.944 122.820 -0.016 0.000 3.158 23 A HA 0.365 4.681 4.320 -0.007 0.000 0.302 23 A C -2.113 175.478 177.584 0.011 0.000 1.162 23 A CA -0.778 51.252 52.037 -0.011 0.000 0.824 23 A CB 1.048 20.039 19.000 -0.016 0.000 1.322 23 A HN 0.038 nan 8.150 nan 0.000 0.510 24 P HA -0.033 nan 4.420 nan 0.000 0.222 24 P C 0.145 177.450 177.300 0.008 0.000 1.153 24 P CA 1.131 64.243 63.100 0.021 0.000 0.798 24 P CB 0.441 32.139 31.700 -0.004 0.000 0.796 25 E N 0.843 121.033 120.200 -0.018 0.000 3.386 25 E HA 0.250 4.595 4.350 -0.007 0.000 0.236 25 E C -2.361 174.231 176.600 -0.013 0.000 1.227 25 E CA -1.624 54.756 56.400 -0.034 0.000 0.970 25 E CB 1.102 30.745 29.700 -0.094 0.000 1.343 25 E HN 0.347 nan 8.360 nan 0.000 0.397 26 P HA 0.096 nan 4.420 nan 0.000 0.279 26 P C 0.144 177.453 177.300 0.016 0.000 1.252 26 P CA -0.233 62.871 63.100 0.006 0.000 0.811 26 P CB 1.392 33.094 31.700 0.004 0.000 1.035 27 T N -2.523 112.036 114.554 0.008 0.000 2.880 27 T HA 0.199 4.544 4.350 -0.007 0.000 0.279 27 T C 1.409 176.114 174.700 0.008 0.000 0.990 27 T CA -0.376 61.733 62.100 0.014 0.000 0.938 27 T CB -0.310 68.563 68.868 0.009 0.000 1.206 27 T HN 0.237 nan 8.240 nan 0.000 0.573 28 S N 0.450 116.155 115.700 0.008 0.000 2.419 28 S HA -0.045 4.420 4.470 -0.007 0.000 0.233 28 S C 1.949 176.544 174.600 -0.008 0.000 1.016 28 S CA 1.460 59.660 58.200 0.001 0.000 0.974 28 S CB -0.701 62.501 63.200 0.004 0.000 0.786 28 S HN 0.981 nan 8.310 nan 0.000 0.492 29 T N -0.793 113.757 114.554 -0.007 0.000 3.105 29 T HA 0.273 4.619 4.350 -0.007 0.000 0.253 29 T C 0.170 174.860 174.700 -0.016 0.000 1.047 29 T CA -0.330 61.763 62.100 -0.011 0.000 0.944 29 T CB 0.030 68.893 68.868 -0.008 0.000 1.016 29 T HN 0.214 nan 8.240 nan 0.000 0.544 30 Q N 2.412 122.202 119.800 -0.017 0.000 2.307 30 Q HA 0.525 4.860 4.340 -0.007 0.000 0.262 30 Q C -0.275 175.706 176.000 -0.032 0.000 0.961 30 Q CA -0.679 55.111 55.803 -0.022 0.000 0.882 30 Q CB 1.817 30.544 28.738 -0.018 0.000 1.264 30 Q HN 0.506 nan 8.270 nan 0.000 0.446 31 S N 0.720 116.396 115.700 -0.039 0.000 2.601 31 S HA 0.471 4.937 4.470 -0.007 0.000 0.271 31 S C 0.009 174.575 174.600 -0.058 0.000 1.305 31 S CA -0.750 57.417 58.200 -0.055 0.000 1.022 31 S CB 1.055 64.224 63.200 -0.052 0.000 0.940 31 S HN 0.354 nan 8.310 nan 0.000 0.525 32 V N 2.736 122.601 119.914 -0.081 0.000 2.328 32 V HA 0.362 4.477 4.120 -0.007 0.000 0.278 32 V C 0.104 176.141 176.094 -0.094 0.000 1.021 32 V CA -0.552 61.703 62.300 -0.076 0.000 0.838 32 V CB 1.002 32.779 31.823 -0.077 0.000 0.999 32 V HN 1.034 nan 8.190 nan 0.000 0.447 33 T N 7.311 121.826 114.554 -0.064 0.000 2.733 33 T HA 0.608 4.954 4.350 -0.007 0.000 0.294 33 T C -0.157 174.524 174.700 -0.033 0.000 0.956 33 T CA -0.131 61.934 62.100 -0.059 0.000 0.987 33 T CB 0.420 69.257 68.868 -0.051 0.000 0.920 33 T HN 0.340 nan 8.240 nan 0.000 0.470 34 L N 3.468 124.672 121.223 -0.032 0.000 2.334 34 L HA 0.613 4.949 4.340 -0.007 0.000 0.275 34 L C 0.348 177.280 176.870 0.104 0.000 1.036 34 L CA -0.928 53.947 54.840 0.058 0.000 0.807 34 L CB 1.330 43.368 42.059 -0.036 0.000 1.231 34 L HN 0.341 nan 8.230 nan 0.000 0.438 35 K N 2.498 123.028 120.400 0.217 0.000 2.378 35 K HA 0.614 4.930 4.320 -0.007 0.000 0.252 35 K C -1.562 175.230 176.600 0.320 0.000 0.931 35 K CA -0.811 55.613 56.287 0.229 0.000 0.794 35 K CB 2.788 35.387 32.500 0.165 0.000 1.181 35 K HN 0.235 nan 8.250 nan 0.000 0.425 36 L N 2.405 123.711 121.223 0.139 0.000 2.346 36 L HA 0.476 4.811 4.340 -0.007 0.000 0.276 36 L C -0.701 176.242 176.870 0.121 0.000 1.006 36 L CA -0.402 54.360 54.840 -0.129 0.000 0.817 36 L CB 1.547 43.269 42.059 -0.561 0.000 1.272 36 L HN 0.552 nan 8.230 nan 0.000 0.421 37 R N 2.402 122.922 120.500 0.033 0.000 2.428 37 R HA 0.760 5.096 4.340 -0.007 0.000 0.294 37 R C -1.030 175.262 176.300 -0.015 0.000 1.000 37 R CA 0.099 56.207 56.100 0.013 0.000 0.960 37 R CB 1.161 31.465 30.300 0.008 0.000 1.076 37 R HN 0.898 nan 8.270 nan 0.000 0.475 38 T N -0.039 114.587 114.554 0.120 0.000 2.868 38 T HA 0.363 4.709 4.350 -0.007 0.000 0.306 38 T C -0.262 174.617 174.700 0.297 0.000 1.224 38 T CA -0.739 61.449 62.100 0.146 0.000 1.012 38 T CB 0.709 69.698 68.868 0.202 0.000 1.221 38 T HN 0.349 nan 8.240 nan 0.000 0.499 39 F N 1.834 121.966 119.950 0.303 0.000 2.553 39 F HA 0.249 4.771 4.527 -0.007 0.000 0.356 39 F C 1.496 177.394 175.800 0.164 0.000 1.142 39 F CA -0.541 57.569 58.000 0.184 0.000 1.322 39 F CB 0.701 39.768 39.000 0.111 0.000 1.126 39 F HN 0.609 nan 8.300 nan 0.000 0.599 40 K N 2.231 122.811 120.400 0.300 0.000 2.472 40 K HA 0.103 4.419 4.320 -0.007 0.000 0.280 40 K C 0.898 177.600 176.600 0.170 0.000 1.028 40 K CA 0.795 57.210 56.287 0.214 0.000 1.045 40 K CB 0.112 32.678 32.500 0.111 0.000 0.902 40 K HN 0.917 nan 8.250 nan 0.000 0.478 41 G N 3.832 112.738 108.800 0.177 0.000 2.258 41 G HA2 -0.298 3.657 3.960 -0.007 0.000 0.274 41 G HA3 -0.298 3.657 3.960 -0.007 0.000 0.274 41 G C 0.374 175.369 174.900 0.158 0.000 1.021 41 G CA 0.747 45.926 45.100 0.132 0.000 0.798 41 G HN 0.931 nan 8.290 nan 0.000 0.507 42 D N -0.541 119.998 120.400 0.230 0.000 2.240 42 D HA 0.145 4.780 4.640 -0.007 0.000 0.206 42 D C 1.682 178.067 176.300 0.142 0.000 0.963 42 D CA 1.141 55.262 54.000 0.202 0.000 0.863 42 D CB 0.089 41.065 40.800 0.293 0.000 0.973 42 D HN 0.844 nan 8.370 nan 0.000 0.501 43 I N -3.048 117.602 120.570 0.132 0.000 3.217 43 I HA 0.482 4.647 4.170 -0.007 0.000 0.308 43 I C 0.964 177.095 176.117 0.023 0.000 1.091 43 I CA -0.409 60.891 61.300 0.001 0.000 1.013 43 I CB 1.827 39.699 38.000 -0.215 0.000 1.250 43 I HN -0.171 nan 8.210 nan 0.000 0.496 44 T N -2.081 112.434 114.554 -0.065 0.000 2.987 44 T HA 0.302 4.647 4.350 -0.007 0.000 0.248 44 T C 0.574 175.232 174.700 -0.070 0.000 0.997 44 T CA 0.514 62.615 62.100 0.001 0.000 1.013 44 T CB -0.311 68.566 68.868 0.015 0.000 1.077 44 T HN 0.941 nan 8.240 nan 0.000 0.483 45 S N 0.060 115.623 115.700 -0.227 0.000 2.547 45 S HA 0.821 5.287 4.470 -0.007 0.000 0.270 45 S C -1.410 172.956 174.600 -0.391 0.000 1.150 45 S CA -0.541 57.508 58.200 -0.252 0.000 0.850 45 S CB 1.693 64.863 63.200 -0.050 0.000 1.118 45 S HN 1.063 nan 8.310 nan 0.000 0.461 46 A N 1.859 124.452 122.820 -0.380 0.000 2.515 46 A HA 0.881 5.197 4.320 -0.007 0.000 0.298 46 A C -1.307 176.142 177.584 -0.225 0.000 1.059 46 A CA -0.854 50.970 52.037 -0.356 0.000 0.698 46 A CB 1.373 20.065 19.000 -0.514 0.000 1.289 46 A HN 0.814 nan 8.150 nan 0.000 0.404 47 N N 0.757 119.275 118.700 -0.304 0.000 2.277 47 N HA 0.452 5.188 4.740 -0.007 0.000 0.286 47 N C -1.459 173.748 175.510 -0.504 0.000 1.140 47 N CA -0.399 52.335 53.050 -0.526 0.000 0.799 47 N CB 2.041 39.892 38.487 -1.060 0.000 1.596 47 N HN 0.576 nan 8.380 nan 0.000 0.473 48 I N 1.149 121.442 120.570 -0.462 0.000 2.342 48 I HA 0.210 4.376 4.170 -0.007 0.000 0.291 48 I C 0.421 176.328 176.117 -0.351 0.000 1.010 48 I CA -0.283 60.813 61.300 -0.341 0.000 1.308 48 I CB 0.963 38.828 38.000 -0.225 0.000 1.400 48 I HN 0.214 nan 8.210 nan 0.000 0.488 49 K N 8.045 128.346 120.400 -0.165 0.000 2.394 49 K HA 0.390 4.705 4.320 -0.007 0.000 0.260 49 K C -1.624 175.169 176.600 0.321 0.000 0.967 49 K CA -0.579 55.747 56.287 0.066 0.000 0.855 49 K CB 1.089 33.686 32.500 0.161 0.000 1.101 49 K HN 0.535 nan 8.250 nan 0.000 0.433 50 Y N 1.927 122.438 120.300 0.352 0.000 2.462 50 Y HA 0.483 5.029 4.550 -0.007 0.000 0.346 50 Y C -1.383 174.885 175.900 0.613 0.000 0.976 50 Y CA -1.348 57.031 58.100 0.465 0.000 1.044 50 Y CB 0.965 39.617 38.460 0.321 0.000 1.230 50 Y HN 0.546 nan 8.280 nan 0.000 0.455 51 W N 6.144 127.772 121.300 0.547 0.000 2.338 51 W HA 0.380 5.035 4.660 -0.008 0.000 0.307 51 W C -1.486 175.238 176.519 0.343 0.000 1.167 51 W CA -0.340 57.104 57.345 0.166 0.000 1.208 51 W CB 1.627 31.036 29.460 -0.084 0.000 1.228 51 W HN 0.828 nan 8.180 nan 0.000 0.499 52 D N 3.862 124.177 120.400 -0.142 0.000 2.303 52 D HA 0.090 4.726 4.640 -0.007 0.000 0.236 52 D C 1.410 177.548 176.300 -0.270 0.000 1.068 52 D CA -0.139 53.876 54.000 0.025 0.000 0.830 52 D CB 1.648 42.588 40.800 0.232 0.000 1.109 52 D HN 0.427 nan 8.370 nan 0.000 0.496 53 T N 1.071 115.617 114.554 -0.014 0.000 3.025 53 T HA -0.059 4.287 4.350 -0.007 0.000 0.270 53 T C 1.751 176.437 174.700 -0.023 0.000 1.126 53 T CA 0.855 62.992 62.100 0.061 0.000 1.105 53 T CB -0.046 68.915 68.868 0.154 0.000 0.884 53 T HN 0.317 nan 8.240 nan 0.000 0.522 54 A N 2.957 125.751 122.820 -0.045 0.000 1.902 54 A HA -0.066 4.249 4.320 -0.007 0.000 0.217 54 A C 1.965 179.511 177.584 -0.062 0.000 1.181 54 A CA 1.661 53.675 52.037 -0.038 0.000 0.623 54 A CB -0.426 18.556 19.000 -0.029 0.000 0.818 54 A HN 0.739 nan 8.150 nan 0.000 0.443 55 D N -3.121 117.210 120.400 -0.114 0.000 2.527 55 D HA 0.072 4.708 4.640 -0.007 0.000 0.224 55 D C -0.062 176.074 176.300 -0.274 0.000 1.217 55 D CA -0.110 53.811 54.000 -0.132 0.000 0.819 55 D CB -1.573 39.187 40.800 -0.067 0.000 1.061 55 D HN 0.488 nan 8.370 nan 0.000 0.515 56 N N -0.022 118.407 118.700 -0.451 0.000 2.725 56 N HA -0.129 4.606 4.740 -0.007 0.000 0.251 56 N C -0.698 174.050 175.510 -1.269 0.000 1.031 56 N CA 0.456 53.054 53.050 -0.753 0.000 0.720 56 N CB -0.756 37.660 38.487 -0.119 0.000 0.930 56 N HN 0.532 nan 8.380 nan 0.000 0.543 57 A N -0.022 121.913 122.820 -1.475 0.000 2.566 57 A HA 0.780 5.095 4.320 -0.007 0.000 0.292 57 A C -0.912 175.997 177.584 -1.125 0.000 1.112 57 A CA -0.586 50.808 52.037 -1.070 0.000 0.707 57 A CB 1.046 19.704 19.000 -0.571 0.000 1.302 57 A HN 0.148 nan 8.150 nan 0.000 0.409 58 F N 1.094 120.715 119.950 -0.548 0.000 2.379 58 F HA 0.523 5.046 4.527 -0.008 0.000 0.332 58 F C 0.707 176.039 175.800 -0.779 0.000 1.096 58 F CA 0.193 57.963 58.000 -0.383 0.000 1.105 58 F CB 1.298 40.302 39.000 0.007 0.000 1.189 58 F HN 0.470 nan 8.300 nan 0.000 0.515 59 H N 1.292 120.298 119.070 -0.107 0.000 2.768 59 H HA 0.151 4.703 4.556 -0.007 0.000 0.371 59 H C -1.334 173.976 175.328 -0.029 0.000 1.151 59 H CA -0.941 54.937 56.048 -0.284 0.000 1.165 59 H CB 2.321 31.548 29.762 -0.892 0.000 1.722 59 H HN 0.632 nan 8.280 nan 0.000 0.543 60 W N 2.742 124.044 121.300 0.002 0.000 2.573 60 W HA 0.437 5.093 4.660 -0.007 0.000 0.326 60 W C -1.389 175.193 176.519 0.106 0.000 1.049 60 W CA -0.682 56.698 57.345 0.057 0.000 1.220 60 W CB 1.690 31.177 29.460 0.045 0.000 1.373 60 W HN 0.211 nan 8.180 nan 0.000 0.507 61 V N 6.810 126.665 119.914 -0.099 0.000 2.454 61 V HA 0.142 4.257 4.120 -0.007 0.000 0.267 61 V C -2.184 173.825 176.094 -0.142 0.000 0.993 61 V CA -1.636 60.655 62.300 -0.016 0.000 0.836 61 V CB 1.286 33.144 31.823 0.059 0.000 1.055 61 V HN 0.373 nan 8.190 nan 0.000 0.452 62 P HA 0.130 nan 4.420 nan 0.000 0.264 62 P C -0.036 177.292 177.300 0.046 0.000 1.183 62 P CA 0.596 63.694 63.100 -0.003 0.000 0.763 62 P CB 0.442 32.230 31.700 0.146 0.000 0.807 63 M N 2.373 122.015 119.600 0.071 0.000 2.359 63 M HA 0.453 4.929 4.480 -0.007 0.000 0.322 63 M C 0.093 176.595 176.300 0.337 0.000 1.166 63 M CA -0.777 54.631 55.300 0.180 0.000 1.067 63 M CB 1.287 34.010 32.600 0.205 0.000 1.523 63 M HN 0.093 nan 8.290 nan 0.000 0.467 64 V N -1.322 118.782 119.914 0.318 0.000 2.823 64 V HA 0.532 4.647 4.120 -0.007 0.000 0.312 64 V C -1.396 174.745 176.094 0.079 0.000 1.072 64 V CA -0.956 61.512 62.300 0.280 0.000 0.937 64 V CB 1.540 33.449 31.823 0.142 0.000 1.013 64 V HN 0.993 nan 8.190 nan 0.000 0.430 65 W N 3.405 124.438 121.300 -0.445 0.000 2.295 65 W HA 0.336 4.992 4.660 -0.007 0.000 0.335 65 W C 0.873 177.176 176.519 -0.361 0.000 1.351 65 W CA 1.090 57.917 57.345 -0.862 0.000 1.273 65 W CB 1.097 29.998 29.460 -0.932 0.000 1.214 65 W HN 1.011 nan 8.180 nan 0.000 0.563 66 D N 1.968 121.664 120.400 -1.174 0.000 2.525 66 D HA 0.105 4.741 4.640 -0.007 0.000 0.248 66 D C 0.196 175.655 176.300 -1.402 0.000 1.000 66 D CA 1.218 54.661 54.000 -0.928 0.000 0.923 66 D CB 0.490 41.001 40.800 -0.482 0.000 1.101 66 D HN 0.273 nan 8.370 nan 0.000 0.493 67 S N -1.799 112.857 115.700 -1.739 0.000 2.660 67 S HA 0.355 4.821 4.470 -0.007 0.000 0.264 67 S C -1.569 172.958 174.600 -0.122 0.000 1.131 67 S CA -1.166 56.399 58.200 -1.058 0.000 0.846 67 S CB 0.593 63.543 63.200 -0.417 0.000 1.151 67 S HN 0.131 nan 8.310 nan 0.000 0.486 68 N N 1.004 119.868 118.700 0.275 0.000 2.404 68 N HA 0.527 5.263 4.740 -0.007 0.000 0.297 68 N C -1.425 174.328 175.510 0.405 0.000 1.163 68 N CA -0.820 52.474 53.050 0.406 0.000 0.864 68 N CB 0.894 39.607 38.487 0.376 0.000 1.247 68 N HN 0.800 nan 8.380 nan 0.000 0.510 69 D N 0.172 120.848 120.400 0.460 0.000 2.383 69 D HA 0.134 4.769 4.640 -0.007 0.000 0.248 69 D C -1.902 174.574 176.300 0.294 0.000 1.170 69 D CA -1.399 52.894 54.000 0.489 0.000 0.977 69 D CB 0.474 41.604 40.800 0.550 0.000 1.120 69 D HN 0.206 nan 8.370 nan 0.000 0.481 70 P HA -0.130 nan 4.420 nan 0.000 0.218 70 P C 1.211 178.604 177.300 0.154 0.000 1.146 70 P CA 2.049 65.242 63.100 0.155 0.000 0.813 70 P CB -0.049 31.724 31.700 0.122 0.000 0.778 71 T N -5.563 109.109 114.554 0.197 0.000 3.144 71 T HA 0.302 4.648 4.350 -0.007 0.000 0.249 71 T C 1.504 176.282 174.700 0.129 0.000 1.089 71 T CA 0.337 62.535 62.100 0.163 0.000 0.989 71 T CB -1.022 67.968 68.868 0.204 0.000 0.992 71 T HN 0.212 nan 8.240 nan 0.000 0.540 72 G N 0.861 109.754 108.800 0.155 0.000 2.212 72 G HA2 -0.322 3.633 3.960 -0.007 0.000 0.267 72 G HA3 -0.322 3.633 3.960 -0.007 0.000 0.267 72 G C 0.779 175.709 174.900 0.051 0.000 1.002 72 G CA 0.865 46.035 45.100 0.116 0.000 0.729 72 G HN 0.573 nan 8.290 nan 0.000 0.517 73 T N -0.869 113.696 114.554 0.018 0.000 3.044 73 T HA 0.395 4.741 4.350 -0.007 0.000 0.255 73 T C 0.587 175.038 174.700 -0.414 0.000 1.073 73 T CA 0.982 62.915 62.100 -0.278 0.000 1.125 73 T CB 0.072 68.657 68.868 -0.471 0.000 0.908 73 T HN 0.346 nan 8.240 nan 0.000 0.480 74 F N 0.609 120.674 119.950 0.192 0.000 2.611 74 F HA 0.610 5.133 4.527 -0.007 0.000 0.324 74 F C -0.283 175.553 175.800 0.060 0.000 1.061 74 F CA -1.646 56.421 58.000 0.112 0.000 0.954 74 F CB 1.116 40.077 39.000 -0.065 0.000 1.301 74 F HN -0.264 nan 8.300 nan 0.000 0.482 75 D N -0.177 120.385 120.400 0.271 0.000 2.342 75 D HA 0.335 4.970 4.640 -0.007 0.000 0.243 75 D C -1.523 174.782 176.300 0.008 0.000 1.019 75 D CA -0.293 53.882 54.000 0.292 0.000 0.864 75 D CB 1.737 42.846 40.800 0.515 0.000 1.315 75 D HN 0.363 nan 8.370 nan 0.000 0.468 76 Y N 0.533 120.843 120.300 0.016 0.000 2.338 76 Y HA 0.320 4.866 4.550 -0.007 0.000 0.328 76 Y C -0.481 175.270 175.900 -0.248 0.000 0.965 76 Y CA -0.988 57.093 58.100 -0.032 0.000 1.208 76 Y CB 1.047 39.436 38.460 -0.119 0.000 1.132 76 Y HN 0.215 nan 8.280 nan 0.000 0.469 77 W N 3.663 125.006 121.300 0.073 0.000 2.438 77 W HA 0.584 5.240 4.660 -0.007 0.000 0.324 77 W C -0.052 176.464 176.519 -0.004 0.000 1.119 77 W CA -0.806 56.554 57.345 0.025 0.000 1.221 77 W CB 1.088 30.566 29.460 0.029 0.000 1.253 77 W HN 0.243 nan 8.180 nan 0.000 0.555 78 K N 1.444 121.934 120.400 0.149 0.000 2.267 78 K HA 0.855 5.170 4.320 -0.007 0.000 0.246 78 K C -0.355 176.297 176.600 0.087 0.000 0.954 78 K CA -0.794 55.535 56.287 0.070 0.000 0.824 78 K CB 1.700 34.181 32.500 -0.031 0.000 1.167 78 K HN 0.689 nan 8.250 nan 0.000 0.431 79 G N 0.819 109.646 108.800 0.044 0.000 2.702 79 G HA2 0.368 4.323 3.960 -0.007 0.000 0.296 79 G HA3 0.368 4.323 3.960 -0.007 0.000 0.296 79 G C -1.558 173.325 174.900 -0.027 0.000 1.463 79 G CA -0.463 44.650 45.100 0.022 0.000 0.890 79 G HN 0.425 nan 8.290 nan 0.000 0.534 80 T N 1.339 115.872 114.554 -0.035 0.000 2.841 80 T HA 0.570 4.915 4.350 -0.007 0.000 0.283 80 T C -0.078 174.568 174.700 -0.090 0.000 1.000 80 T CA -0.273 61.787 62.100 -0.068 0.000 0.977 80 T CB 1.372 70.213 68.868 -0.045 0.000 0.979 80 T HN 0.409 nan 8.240 nan 0.000 0.446 81 I N 5.548 126.015 120.570 -0.172 0.000 2.336 81 I HA 0.308 4.474 4.170 -0.007 0.000 0.292 81 I C -1.813 174.187 176.117 -0.195 0.000 0.991 81 I CA -2.555 58.581 61.300 -0.273 0.000 1.227 81 I CB 1.756 39.456 38.000 -0.499 0.000 1.366 81 I HN 0.350 nan 8.210 nan 0.000 0.466 82 P HA 0.023 nan 4.420 nan 0.000 0.268 82 P C -0.730 176.509 177.300 -0.101 0.000 1.208 82 P CA -0.324 62.724 63.100 -0.086 0.000 0.777 82 P CB 0.736 32.412 31.700 -0.040 0.000 0.875 83 A N 2.013 124.793 122.820 -0.065 0.000 2.366 83 A HA 0.557 4.873 4.320 -0.007 0.000 0.272 83 A C 0.490 178.047 177.584 -0.044 0.000 1.135 83 A CA 0.184 52.189 52.037 -0.054 0.000 0.804 83 A CB -0.294 18.684 19.000 -0.037 0.000 1.064 83 A HN 0.744 nan 8.150 nan 0.000 0.499 84 S N 1.551 117.226 115.700 -0.041 0.000 2.636 84 S HA 0.638 5.103 4.470 -0.007 0.000 0.266 84 S C -2.919 171.668 174.600 -0.021 0.000 1.147 84 S CA -0.708 57.474 58.200 -0.030 0.000 0.815 84 S CB 1.011 64.190 63.200 -0.035 0.000 1.119 84 S HN 0.187 nan 8.310 nan 0.000 0.470 85 P HA 0.135 nan 4.420 nan 0.000 0.231 85 P C 0.407 177.704 177.300 -0.005 0.000 1.168 85 P CA 0.572 63.670 63.100 -0.004 0.000 0.779 85 P CB -0.129 31.570 31.700 -0.000 0.000 0.844 86 S N -0.159 115.533 115.700 -0.013 0.000 2.580 86 S HA 0.260 4.725 4.470 -0.007 0.000 0.274 86 S C 0.289 174.871 174.600 -0.030 0.000 1.329 86 S CA -0.686 57.506 58.200 -0.014 0.000 1.036 86 S CB 0.074 63.268 63.200 -0.010 0.000 0.919 86 S HN -0.080 nan 8.310 nan 0.000 0.515 87 I N 2.274 122.819 120.570 -0.042 0.000 2.634 87 I HA 0.225 4.390 4.170 -0.007 0.000 0.284 87 I C 0.546 176.549 176.117 -0.190 0.000 1.124 87 I CA 0.133 61.362 61.300 -0.118 0.000 1.417 87 I CB 0.477 38.404 38.000 -0.122 0.000 1.396 87 I HN 0.671 nan 8.210 nan 0.000 0.571 88 K N 5.408 125.627 120.400 -0.300 0.000 2.482 88 K HA 0.608 4.923 4.320 -0.007 0.000 0.257 88 K C -1.788 174.579 176.600 -0.389 0.000 0.969 88 K CA -0.830 55.344 56.287 -0.189 0.000 0.842 88 K CB 2.445 34.933 32.500 -0.020 0.000 1.359 88 K HN 0.285 nan 8.250 nan 0.000 0.441 89 Y N 0.470 120.942 120.300 0.287 0.000 2.457 89 Y HA 0.414 4.960 4.550 -0.007 0.000 0.343 89 Y C -0.728 175.335 175.900 0.271 0.000 0.994 89 Y CA -1.105 57.055 58.100 0.100 0.000 1.031 89 Y CB 1.519 39.953 38.460 -0.044 0.000 1.246 89 Y HN 0.564 nan 8.280 nan 0.000 0.449 90 Y N 0.038 120.488 120.300 0.250 0.000 2.634 90 Y HA 0.940 5.485 4.550 -0.008 0.000 0.340 90 Y C -0.962 174.961 175.900 0.039 0.000 1.058 90 Y CA -1.953 56.237 58.100 0.150 0.000 1.081 90 Y CB 1.837 40.293 38.460 -0.007 0.000 1.295 90 Y HN 0.682 nan 8.280 nan 0.000 0.487 91 R N 0.408 120.998 120.500 0.149 0.000 2.734 91 R HA 0.710 5.046 4.340 -0.007 0.000 0.271 91 R C -2.322 173.907 176.300 -0.117 0.000 1.021 91 R CA -0.849 55.304 56.100 0.087 0.000 0.893 91 R CB 1.661 32.077 30.300 0.194 0.000 1.244 91 R HN 0.583 nan 8.270 nan 0.000 0.464 92 F N 0.361 120.479 119.950 0.281 0.000 2.508 92 F HA 0.400 4.923 4.527 -0.008 0.000 0.325 92 F C 0.124 175.825 175.800 -0.164 0.000 1.090 92 F CA -0.794 57.216 58.000 0.017 0.000 0.945 92 F CB 2.250 41.209 39.000 -0.069 0.000 1.156 92 F HN 0.415 nan 8.300 nan 0.000 0.463 93 Q N 3.473 123.051 119.800 -0.371 0.000 2.347 93 Q HA 0.574 4.910 4.340 -0.007 0.000 0.262 93 Q C -1.617 174.074 176.000 -0.516 0.000 0.980 93 Q CA -0.717 54.496 55.803 -0.982 0.000 0.867 93 Q CB 1.200 29.240 28.738 -1.163 0.000 1.242 93 Q HN 0.657 nan 8.270 nan 0.000 0.453 94 I N 3.906 124.207 120.570 -0.448 0.000 2.378 94 I HA 0.364 4.529 4.170 -0.007 0.000 0.291 94 I C -0.451 175.518 176.117 -0.247 0.000 0.992 94 I CA -0.444 60.668 61.300 -0.314 0.000 1.154 94 I CB 1.560 39.416 38.000 -0.239 0.000 1.315 94 I HN 0.499 nan 8.210 nan 0.000 0.448 95 N N 4.103 122.671 118.700 -0.220 0.000 2.272 95 N HA 0.443 5.178 4.740 -0.007 0.000 0.305 95 N C -1.332 174.118 175.510 -0.099 0.000 1.103 95 N CA -0.598 52.375 53.050 -0.128 0.000 0.791 95 N CB 2.464 40.895 38.487 -0.094 0.000 1.356 95 N HN 0.497 nan 8.380 nan 0.000 0.486 96 D N 0.396 120.775 120.400 -0.035 0.000 2.381 96 D HA 0.410 5.046 4.640 -0.007 0.000 0.245 96 D C 0.793 177.101 176.300 0.013 0.000 1.297 96 D CA 0.143 54.140 54.000 -0.005 0.000 0.931 96 D CB 0.152 40.966 40.800 0.024 0.000 1.334 96 D HN 0.761 nan 8.370 nan 0.000 0.535 97 G N 2.583 111.390 108.800 0.011 0.000 2.591 97 G HA2 -0.376 3.580 3.960 -0.007 0.000 0.298 97 G HA3 -0.376 3.580 3.960 -0.007 0.000 0.298 97 G C 1.165 176.077 174.900 0.020 0.000 1.195 97 G CA 0.894 46.005 45.100 0.018 0.000 0.989 97 G HN 0.989 nan 8.290 nan 0.000 0.551 98 T N -1.653 112.916 114.554 0.025 0.000 3.148 98 T HA 0.487 4.833 4.350 -0.007 0.000 0.253 98 T C 0.980 175.703 174.700 0.038 0.000 1.134 98 T CA 1.451 63.569 62.100 0.029 0.000 1.051 98 T CB 0.056 68.941 68.868 0.028 0.000 0.959 98 T HN 1.448 nan 8.240 nan 0.000 0.525 99 S N 0.675 116.399 115.700 0.039 0.000 2.437 99 S HA 0.592 5.058 4.470 -0.007 0.000 0.305 99 S C -0.659 173.969 174.600 0.047 0.000 1.109 99 S CA -0.480 57.754 58.200 0.057 0.000 1.099 99 S CB 1.159 64.400 63.200 0.068 0.000 1.004 99 S HN 0.392 nan 8.310 nan 0.000 0.475 100 T N 3.557 118.151 114.554 0.066 0.000 2.876 100 T HA 0.814 5.160 4.350 -0.007 0.000 0.289 100 T C -0.870 173.872 174.700 0.070 0.000 1.014 100 T CA -0.446 61.659 62.100 0.009 0.000 0.986 100 T CB 1.588 70.450 68.868 -0.009 0.000 1.021 100 T HN 0.902 nan 8.240 nan 0.000 0.458 101 A N 2.018 124.813 122.820 -0.042 0.000 2.539 101 A HA 0.828 5.144 4.320 -0.007 0.000 0.296 101 A C -2.089 175.380 177.584 -0.192 0.000 1.073 101 A CA -0.900 51.164 52.037 0.045 0.000 0.700 101 A CB 1.232 20.326 19.000 0.157 0.000 1.296 101 A HN 0.788 nan 8.150 nan 0.000 0.405 102 W N -0.565 120.719 121.300 -0.028 0.000 2.647 102 W HA 0.688 5.343 4.660 -0.008 0.000 0.353 102 W C -0.847 175.667 176.519 -0.008 0.000 1.080 102 W CA 0.013 57.359 57.345 0.000 0.000 1.208 102 W CB 1.527 30.976 29.460 -0.019 0.000 1.396 102 W HN 0.672 nan 8.180 nan 0.000 0.573 103 Y N 3.620 124.054 120.300 0.223 0.000 2.441 103 Y HA 0.334 4.879 4.550 -0.008 0.000 0.334 103 Y C -0.480 175.619 175.900 0.332 0.000 1.061 103 Y CA -0.966 57.229 58.100 0.158 0.000 1.032 103 Y CB 0.900 39.411 38.460 0.085 0.000 1.266 103 Y HN 0.572 nan 8.280 nan 0.000 0.441 104 N N 1.503 120.212 118.700 0.016 0.000 3.522 104 N HA 0.288 5.024 4.740 -0.007 0.000 0.328 104 N C 0.873 176.035 175.510 -0.580 0.000 1.623 104 N CA -0.184 52.863 53.050 -0.005 0.000 0.812 104 N CB 0.157 38.552 38.487 -0.153 0.000 2.008 104 N HN 0.678 nan 8.380 nan 0.000 0.601 105 G N -0.383 107.670 108.800 -1.245 0.000 2.517 105 G HA2 -0.325 3.631 3.960 -0.007 0.000 0.222 105 G HA3 -0.325 3.631 3.960 -0.007 0.000 0.222 105 G C 0.891 175.495 174.900 -0.494 0.000 1.109 105 G CA 1.388 45.824 45.100 -1.108 0.000 0.746 105 G HN 0.727 nan 8.290 nan 0.000 0.576 106 N N -0.127 118.317 118.700 -0.426 0.000 2.268 106 N HA 0.353 5.088 4.740 -0.007 0.000 0.204 106 N C 1.050 176.354 175.510 -0.342 0.000 1.124 106 N CA 1.101 53.973 53.050 -0.297 0.000 0.838 106 N CB 0.206 38.549 38.487 -0.241 0.000 0.994 106 N HN 0.532 nan 8.380 nan 0.000 0.489 107 G N 0.275 108.726 108.800 -0.582 0.000 2.568 107 G HA2 -0.212 3.743 3.960 -0.007 0.000 0.222 107 G HA3 -0.212 3.743 3.960 -0.007 0.000 0.222 107 G C -2.775 171.553 174.900 -0.953 0.000 1.321 107 G CA -0.467 44.111 45.100 -0.869 0.000 0.893 107 G HN 0.196 nan 8.290 nan 0.000 0.569 108 P HA 0.485 nan 4.420 nan 0.000 0.275 108 P C -0.450 176.311 177.300 -0.899 0.000 1.228 108 P CA 0.459 63.101 63.100 -0.764 0.000 0.786 108 P CB 1.757 32.868 31.700 -0.981 0.000 0.927 109 S N 0.634 115.880 115.700 -0.757 0.000 2.541 109 S HA 0.289 4.754 4.470 -0.007 0.000 0.271 109 S C 0.995 175.610 174.600 0.026 0.000 1.133 109 S CA -0.420 57.589 58.200 -0.319 0.000 0.876 109 S CB 1.423 64.564 63.200 -0.099 0.000 1.105 109 S HN 0.385 nan 8.310 nan 0.000 0.470 110 S N 1.695 117.618 115.700 0.371 0.000 2.414 110 S HA 0.110 4.575 4.470 -0.007 0.000 0.227 110 S C 0.940 175.744 174.600 0.340 0.000 1.022 110 S CA 1.463 59.954 58.200 0.486 0.000 0.958 110 S CB -0.379 63.090 63.200 0.448 0.000 0.797 110 S HN 0.980 nan 8.310 nan 0.000 0.493 111 T N -0.089 114.595 114.554 0.216 0.000 2.925 111 T HA 0.480 4.825 4.350 -0.007 0.000 0.285 111 T C -0.425 174.225 174.700 -0.083 0.000 1.021 111 T CA -0.812 61.352 62.100 0.108 0.000 1.042 111 T CB 1.521 70.403 68.868 0.023 0.000 1.037 111 T HN 0.305 nan 8.240 nan 0.000 0.481 112 E N 3.237 123.169 120.200 -0.446 0.000 2.415 112 E HA 0.177 4.523 4.350 -0.007 0.000 0.260 112 E C -1.826 174.412 176.600 -0.604 0.000 1.016 112 E CA -1.497 54.204 56.400 -1.165 0.000 0.924 112 E CB 0.344 29.138 29.700 -1.511 0.000 0.961 112 E HN 0.483 nan 8.360 nan 0.000 0.459 113 P HA 0.055 nan 4.420 nan 0.000 0.276 113 P C -0.840 176.271 177.300 -0.315 0.000 1.244 113 P CA -0.147 62.771 63.100 -0.303 0.000 0.801 113 P CB 0.608 32.172 31.700 -0.228 0.000 1.006 114 N N -0.442 118.108 118.700 -0.251 0.000 2.160 114 N HA 0.389 5.125 4.740 -0.007 0.000 0.226 114 N C -0.212 175.147 175.510 -0.250 0.000 1.256 114 N CA -0.651 52.258 53.050 -0.234 0.000 0.890 114 N CB 0.772 39.134 38.487 -0.208 0.000 1.116 114 N HN 0.408 nan 8.380 nan 0.000 0.517 115 A N 0.379 123.049 122.820 -0.251 0.000 2.594 115 A HA 0.547 4.862 4.320 -0.007 0.000 0.291 115 A C -1.108 176.308 177.584 -0.281 0.000 1.105 115 A CA -0.318 51.555 52.037 -0.274 0.000 0.694 115 A CB 1.060 19.919 19.000 -0.235 0.000 1.291 115 A HN 0.133 nan 8.150 nan 0.000 0.410 116 D N 0.238 120.454 120.400 -0.306 0.000 3.017 116 D HA -0.102 4.534 4.640 -0.007 0.000 0.220 116 D C -0.467 175.568 176.300 -0.441 0.000 1.141 116 D CA 1.573 55.379 54.000 -0.324 0.000 0.848 116 D CB -1.122 39.509 40.800 -0.282 0.000 1.102 116 D HN 0.597 nan 8.370 nan 0.000 0.427 117 D N -0.772 119.352 120.400 -0.460 0.000 2.358 117 D HA 0.266 4.901 4.640 -0.007 0.000 0.244 117 D C 1.018 176.938 176.300 -0.634 0.000 1.163 117 D CA -0.010 53.717 54.000 -0.456 0.000 0.945 117 D CB 0.257 40.901 40.800 -0.259 0.000 1.152 117 D HN -0.029 nan 8.370 nan 0.000 0.451 118 F N 0.091 119.716 119.950 -0.542 0.000 2.444 118 F HA 0.172 4.695 4.527 -0.007 0.000 0.331 118 F C 0.466 175.949 175.800 -0.528 0.000 1.167 118 F CA -0.032 57.628 58.000 -0.567 0.000 1.262 118 F CB 0.399 38.818 39.000 -0.969 0.000 1.196 118 F HN 0.158 nan 8.300 nan 0.000 0.583 119 Y N 1.823 122.163 120.300 0.067 0.000 2.387 119 Y HA 0.584 5.129 4.550 -0.007 0.000 0.336 119 Y C -0.027 175.933 175.900 0.100 0.000 1.067 119 Y CA -0.768 57.385 58.100 0.089 0.000 1.114 119 Y CB 1.263 39.807 38.460 0.140 0.000 1.208 119 Y HN 0.230 nan 8.280 nan 0.000 0.458 120 I N 5.117 125.796 120.570 0.181 0.000 2.542 120 I HA 0.303 4.469 4.170 -0.007 0.000 0.278 120 I C -1.139 175.023 176.117 0.075 0.000 1.069 120 I CA -0.227 61.161 61.300 0.147 0.000 1.100 120 I CB 0.910 38.979 38.000 0.114 0.000 1.204 120 I HN 0.502 nan 8.210 nan 0.000 0.470 121 I N 7.583 128.237 120.570 0.141 0.000 2.412 121 I HA 0.305 4.471 4.170 -0.007 0.000 0.279 121 I C -2.320 173.883 176.117 0.143 0.000 1.063 121 I CA -1.829 59.550 61.300 0.132 0.000 1.193 121 I CB 0.794 38.924 38.000 0.216 0.000 1.370 121 I HN 0.152 nan 8.210 nan 0.000 0.479 122 P HA 0.065 nan 4.420 nan 0.000 0.265 122 P C -0.080 177.275 177.300 0.093 0.000 1.193 122 P CA 0.416 63.555 63.100 0.064 0.000 0.765 122 P CB 0.216 31.931 31.700 0.026 0.000 0.823 123 N N -0.827 117.926 118.700 0.088 0.000 2.909 123 N HA -0.246 4.490 4.740 -0.007 0.000 0.242 123 N C -0.439 175.179 175.510 0.180 0.000 0.975 123 N CA 0.193 53.302 53.050 0.098 0.000 0.921 123 N CB -1.936 36.597 38.487 0.076 0.000 1.112 123 N HN 0.413 nan 8.380 nan 0.000 0.581 124 F N 1.710 121.663 119.950 0.006 0.000 2.411 124 F HA 0.466 4.989 4.527 -0.007 0.000 0.355 124 F C 0.238 176.036 175.800 -0.003 0.000 1.117 124 F CA -0.742 57.262 58.000 0.005 0.000 1.139 124 F CB 0.686 39.688 39.000 0.003 0.000 1.120 124 F HN -0.159 nan 8.300 nan 0.000 0.493 125 K N 4.369 124.668 120.400 -0.168 0.000 2.427 125 K HA 0.385 4.701 4.320 -0.007 0.000 0.252 125 K C -1.143 175.217 176.600 -0.399 0.000 0.931 125 K CA -0.572 55.515 56.287 -0.333 0.000 0.793 125 K CB 1.855 34.290 32.500 -0.109 0.000 1.211 125 K HN 0.611 nan 8.250 nan 0.000 0.426 126 T N 1.264 115.540 114.554 -0.462 0.000 2.855 126 T HA 0.589 4.934 4.350 -0.007 0.000 0.281 126 T C -2.591 171.915 174.700 -0.324 0.000 1.007 126 T CA -2.499 59.383 62.100 -0.363 0.000 1.009 126 T CB 1.428 70.055 68.868 -0.402 0.000 0.983 126 T HN 0.337 nan 8.240 nan 0.000 0.455 127 P HA 0.104 nan 4.420 nan 0.000 0.260 127 P C 0.327 177.283 177.300 -0.574 0.000 1.185 127 P CA 0.055 62.866 63.100 -0.481 0.000 0.763 127 P CB 0.354 31.577 31.700 -0.796 0.000 0.776 128 D N 2.903 123.111 120.400 -0.321 0.000 2.219 128 D HA -0.128 4.508 4.640 -0.007 0.000 0.205 128 D C 1.721 177.886 176.300 -0.225 0.000 0.970 128 D CA 1.007 54.868 54.000 -0.231 0.000 0.851 128 D CB -0.196 40.546 40.800 -0.096 0.000 0.943 128 D HN 0.609 nan 8.370 nan 0.000 0.488 129 W N 0.774 121.935 121.300 -0.233 0.000 2.425 129 W HA -0.051 4.605 4.660 -0.006 0.000 0.277 129 W C 1.557 177.877 176.519 -0.331 0.000 1.231 129 W CA -0.087 57.052 57.345 -0.344 0.000 1.248 129 W CB -0.982 28.010 29.460 -0.781 0.000 1.117 129 W HN -0.069 nan 8.180 nan 0.000 0.568 130 L N 2.181 122.783 121.223 -1.034 0.000 2.131 130 L HA -0.027 4.309 4.340 -0.007 0.000 0.206 130 L C 2.579 179.195 176.870 -0.424 0.000 1.087 130 L CA 1.824 56.138 54.840 -0.877 0.000 0.767 130 L CB -0.750 40.611 42.059 -1.164 0.000 0.917 130 L HN -0.210 nan 8.230 nan 0.000 0.441 131 K N -0.433 119.741 120.400 -0.378 0.000 2.057 131 K HA -0.077 4.238 4.320 -0.007 0.000 0.207 131 K C 1.396 177.901 176.600 -0.157 0.000 1.049 131 K CA 1.479 57.618 56.287 -0.247 0.000 0.931 131 K CB -0.220 32.149 32.500 -0.217 0.000 0.714 131 K HN 0.405 nan 8.250 nan 0.000 0.440 132 N N 0.490 119.122 118.700 -0.113 0.000 2.336 132 N HA 0.012 4.747 4.740 -0.007 0.000 0.189 132 N C 0.582 176.097 175.510 0.009 0.000 1.113 132 N CA 0.199 53.226 53.050 -0.038 0.000 0.858 132 N CB 0.745 39.227 38.487 -0.008 0.000 0.970 132 N HN 0.125 nan 8.380 nan 0.000 0.471 133 G N 0.061 108.867 108.800 0.010 0.000 2.531 133 G HA2 0.504 4.460 3.960 -0.007 0.000 0.313 133 G HA3 0.504 4.460 3.960 -0.007 0.000 0.313 133 G C -0.682 174.250 174.900 0.053 0.000 1.238 133 G CA -0.242 44.908 45.100 0.083 0.000 0.994 133 G HN -0.057 nan 8.290 nan 0.000 0.493 134 V N 0.885 120.854 119.914 0.093 0.000 2.483 134 V HA 0.416 4.532 4.120 -0.007 0.000 0.297 134 V C -0.025 176.145 176.094 0.126 0.000 1.027 134 V CA -0.490 61.858 62.300 0.080 0.000 0.855 134 V CB 1.454 33.324 31.823 0.078 0.000 0.995 134 V HN 0.777 nan 8.190 nan 0.000 0.424 135 M N 4.644 124.315 119.600 0.119 0.000 2.367 135 M HA 0.551 5.026 4.480 -0.007 0.000 0.339 135 M C -1.747 174.677 176.300 0.206 0.000 1.177 135 M CA -0.636 54.762 55.300 0.165 0.000 1.068 135 M CB 1.540 34.218 32.600 0.129 0.000 1.602 135 M HN 0.752 nan 8.290 nan 0.000 0.457 136 Y N 3.314 123.660 120.300 0.078 0.000 2.332 136 Y HA 0.297 4.844 4.550 -0.006 0.000 0.326 136 Y C -0.802 175.112 175.900 0.022 0.000 0.978 136 Y CA -0.536 57.592 58.100 0.046 0.000 1.205 136 Y CB 1.216 39.670 38.460 -0.011 0.000 1.131 136 Y HN 0.630 nan 8.280 nan 0.000 0.462 137 Q N 6.048 125.729 119.800 -0.198 0.000 2.261 137 Q HA 0.583 4.918 4.340 -0.007 0.000 0.252 137 Q C -1.482 174.368 176.000 -0.251 0.000 0.915 137 Q CA -0.409 55.305 55.803 -0.149 0.000 0.915 137 Q CB 0.919 29.671 28.738 0.023 0.000 1.204 137 Q HN 0.814 nan 8.270 nan 0.000 0.421 138 I N 3.690 124.052 120.570 -0.346 0.000 2.498 138 I HA 0.245 4.411 4.170 -0.007 0.000 0.290 138 I C -1.131 174.710 176.117 -0.460 0.000 1.032 138 I CA -0.786 60.228 61.300 -0.475 0.000 1.073 138 I CB 1.619 39.259 38.000 -0.600 0.000 1.251 138 I HN 0.639 nan 8.210 nan 0.000 0.426 139 F N 9.358 128.908 119.950 -0.668 0.000 2.384 139 F HA 0.422 4.944 4.527 -0.008 0.000 0.359 139 F C -1.740 173.777 175.800 -0.472 0.000 1.143 139 F CA -2.184 55.549 58.000 -0.445 0.000 1.216 139 F CB 0.501 39.374 39.000 -0.211 0.000 1.512 139 F HN 0.310 nan 8.300 nan 0.000 0.573 140 P HA -0.367 nan 4.420 nan 0.000 0.227 140 P C 1.223 178.332 177.300 -0.317 0.000 1.106 140 P CA 2.378 65.116 63.100 -0.604 0.000 0.998 140 P CB 0.152 31.119 31.700 -1.221 0.000 0.769 141 D N -2.262 118.072 120.400 -0.110 0.000 2.309 141 D HA -0.150 4.485 4.640 -0.007 0.000 0.212 141 D C 1.214 177.695 176.300 0.301 0.000 0.968 141 D CA 0.809 54.972 54.000 0.272 0.000 0.882 141 D CB -0.037 41.051 40.800 0.480 0.000 0.918 141 D HN 0.013 nan 8.370 nan 0.000 0.503 142 R N -0.807 119.812 120.500 0.197 0.000 2.509 142 R HA 0.140 4.476 4.340 -0.007 0.000 0.300 142 R C 0.741 177.236 176.300 0.326 0.000 0.985 142 R CA -0.210 55.920 56.100 0.050 0.000 1.092 142 R CB -0.489 29.733 30.300 -0.130 0.000 1.237 142 R HN 0.315 nan 8.270 nan 0.000 0.546 143 F N -0.245 119.854 119.950 0.248 0.000 2.289 143 F HA 0.171 4.693 4.527 -0.008 0.000 0.280 143 F C -0.049 176.273 175.800 0.870 0.000 1.045 143 F CA 0.280 58.499 58.000 0.365 0.000 1.236 143 F CB 0.636 39.664 39.000 0.046 0.000 1.116 143 F HN -0.080 nan 8.300 nan 0.000 0.550 144 Y N 0.894 121.396 120.300 0.337 0.000 2.376 144 Y HA 0.235 4.780 4.550 -0.008 0.000 0.321 144 Y C -1.163 174.653 175.900 -0.140 0.000 1.189 144 Y CA -1.395 56.640 58.100 -0.109 0.000 1.069 144 Y CB 0.508 38.697 38.460 -0.452 0.000 1.292 144 Y HN -0.088 nan 8.280 nan 0.000 0.430 145 N N 3.594 121.689 118.700 -1.008 0.000 2.415 145 N HA 0.164 4.900 4.740 -0.007 0.000 0.250 145 N C 0.541 175.447 175.510 -1.006 0.000 1.127 145 N CA 0.858 53.501 53.050 -0.679 0.000 0.945 145 N CB 1.462 39.669 38.487 -0.466 0.000 1.196 145 N HN 1.025 nan 8.380 nan 0.000 0.499 146 G N 1.537 109.989 108.800 -0.581 0.000 2.838 146 G HA2 -0.053 3.902 3.960 -0.007 0.000 0.210 146 G HA3 -0.053 3.902 3.960 -0.007 0.000 0.210 146 G C 0.050 174.824 174.900 -0.209 0.000 1.153 146 G CA 0.015 44.886 45.100 -0.382 0.000 0.778 146 G HN 0.569 nan 8.290 nan 0.000 0.539 147 D N -0.037 120.261 120.400 -0.171 0.000 2.375 147 D HA 0.129 4.764 4.640 -0.007 0.000 0.241 147 D C 1.211 177.468 176.300 -0.072 0.000 1.361 147 D CA -0.168 53.776 54.000 -0.093 0.000 0.995 147 D CB 1.125 41.900 40.800 -0.041 0.000 1.312 147 D HN 0.033 nan 8.370 nan 0.000 0.576 148 S N 1.152 116.804 115.700 -0.080 0.000 2.561 148 S HA -0.119 4.347 4.470 -0.007 0.000 0.225 148 S C 1.734 176.321 174.600 -0.022 0.000 0.977 148 S CA 0.892 59.063 58.200 -0.048 0.000 0.926 148 S CB -0.116 63.050 63.200 -0.057 0.000 0.769 148 S HN 0.350 nan 8.310 nan 0.000 0.533 149 S N 2.935 118.622 115.700 -0.022 0.000 2.453 149 S HA -0.095 4.371 4.470 -0.007 0.000 0.231 149 S C 1.390 175.987 174.600 -0.006 0.000 1.005 149 S CA 0.766 58.958 58.200 -0.014 0.000 0.949 149 S CB -0.807 62.384 63.200 -0.015 0.000 0.774 149 S HN 0.785 nan 8.310 nan 0.000 0.510 150 N N 0.756 119.458 118.700 0.004 0.000 2.270 150 N HA 0.149 4.885 4.740 -0.007 0.000 0.198 150 N C -0.985 174.534 175.510 0.015 0.000 1.117 150 N CA -0.220 52.836 53.050 0.010 0.000 0.845 150 N CB -0.537 37.967 38.487 0.028 0.000 0.980 150 N HN 0.134 nan 8.380 nan 0.000 0.486 151 D N 0.568 120.980 120.400 0.020 0.000 2.488 151 D HA 0.002 4.638 4.640 -0.007 0.000 0.238 151 D C -0.151 176.137 176.300 -0.020 0.000 1.138 151 D CA 0.054 54.073 54.000 0.032 0.000 0.873 151 D CB 1.186 42.009 40.800 0.037 0.000 1.183 151 D HN -0.100 nan 8.370 nan 0.000 0.458 152 V N 4.109 123.985 119.914 -0.064 0.000 2.488 152 V HA 0.064 4.180 4.120 -0.007 0.000 0.277 152 V C 0.602 176.620 176.094 -0.126 0.000 1.046 152 V CA -0.352 61.826 62.300 -0.204 0.000 0.986 152 V CB 1.003 32.444 31.823 -0.635 0.000 0.989 152 V HN 0.356 nan 8.190 nan 0.000 0.475 153 Q N 1.859 121.591 119.800 -0.115 0.000 2.204 153 Q HA 0.416 4.751 4.340 -0.007 0.000 0.254 153 Q C 0.036 175.980 176.000 -0.094 0.000 0.981 153 Q CA -0.534 55.224 55.803 -0.076 0.000 0.897 153 Q CB 1.375 30.085 28.738 -0.046 0.000 1.273 153 Q HN 0.703 nan 8.270 nan 0.000 0.464 154 T N 0.801 115.314 114.554 -0.069 0.000 2.867 154 T HA 0.296 4.641 4.350 -0.007 0.000 0.297 154 T C 1.098 175.795 174.700 -0.004 0.000 0.989 154 T CA 1.065 63.133 62.100 -0.052 0.000 1.159 154 T CB 0.062 68.888 68.868 -0.070 0.000 0.928 154 T HN 0.808 nan 8.240 nan 0.000 0.538 155 G N 3.019 111.833 108.800 0.024 0.000 2.234 155 G HA2 -0.345 3.610 3.960 -0.007 0.000 0.260 155 G HA3 -0.345 3.610 3.960 -0.007 0.000 0.260 155 G C 1.492 176.376 174.900 -0.027 0.000 0.987 155 G CA 0.611 45.724 45.100 0.021 0.000 0.625 155 G HN 0.681 nan 8.290 nan 0.000 0.532 156 S N -0.464 115.192 115.700 -0.074 0.000 2.390 156 S HA -0.044 4.422 4.470 -0.007 0.000 0.234 156 S C 0.889 175.529 174.600 0.067 0.000 1.063 156 S CA 2.390 60.571 58.200 -0.032 0.000 1.108 156 S CB -0.297 62.859 63.200 -0.072 0.000 0.975 156 S HN 1.689 nan 8.310 nan 0.000 0.442 157 Y N -1.287 118.989 120.300 -0.040 0.000 2.670 157 Y HA 0.661 5.207 4.550 -0.008 0.000 0.334 157 Y C -0.593 175.312 175.900 0.008 0.000 1.185 157 Y CA -1.097 56.984 58.100 -0.031 0.000 1.053 157 Y CB 0.895 39.318 38.460 -0.062 0.000 1.298 157 Y HN -0.014 nan 8.280 nan 0.000 0.459 158 T N -0.941 113.768 114.554 0.259 0.000 2.908 158 T HA 0.613 4.958 4.350 -0.007 0.000 0.290 158 T C -1.968 172.886 174.700 0.256 0.000 1.034 158 T CA -0.672 61.522 62.100 0.157 0.000 1.010 158 T CB 1.947 70.842 68.868 0.045 0.000 1.068 158 T HN 0.977 nan 8.240 nan 0.000 0.481 159 Y N 2.236 122.563 120.300 0.046 0.000 2.329 159 Y HA 0.430 4.976 4.550 -0.007 0.000 0.328 159 Y C 0.526 176.341 175.900 -0.141 0.000 0.992 159 Y CA -0.545 57.533 58.100 -0.037 0.000 1.151 159 Y CB 1.036 39.547 38.460 0.085 0.000 1.150 159 Y HN 1.122 nan 8.280 nan 0.000 0.450 160 N N 4.748 122.803 118.700 -1.075 0.000 2.725 160 N HA -0.213 4.522 4.740 -0.007 0.000 0.251 160 N C 0.587 175.883 175.510 -0.357 0.000 1.031 160 N CA 0.791 53.314 53.050 -0.879 0.000 0.720 160 N CB -0.933 37.010 38.487 -0.907 0.000 0.930 160 N HN 1.488 nan 8.380 nan 0.000 0.543 161 G N -0.345 108.305 108.800 -0.249 0.000 2.246 161 G HA2 -0.262 3.693 3.960 -0.007 0.000 0.273 161 G HA3 -0.262 3.693 3.960 -0.007 0.000 0.273 161 G C -0.167 174.686 174.900 -0.079 0.000 1.055 161 G CA 0.720 45.748 45.100 -0.120 0.000 0.851 161 G HN 0.544 nan 8.290 nan 0.000 0.500 162 T N 1.712 116.235 114.554 -0.051 0.000 3.031 162 T HA 0.551 4.897 4.350 -0.007 0.000 0.305 162 T C -2.498 172.220 174.700 0.031 0.000 0.985 162 T CA -0.680 61.413 62.100 -0.012 0.000 1.008 162 T CB 3.424 72.316 68.868 0.041 0.000 1.005 162 T HN 0.154 nan 8.240 nan 0.000 0.444 163 P HA 0.187 nan 4.420 nan 0.000 0.272 163 P C 0.047 177.440 177.300 0.155 0.000 1.230 163 P CA -0.271 62.856 63.100 0.046 0.000 0.788 163 P CB 0.357 32.082 31.700 0.041 0.000 0.949 164 T N -1.564 112.994 114.554 0.006 0.000 2.910 164 T HA 0.331 4.677 4.350 -0.007 0.000 0.293 164 T C -0.180 174.570 174.700 0.082 0.000 1.015 164 T CA -0.657 61.451 62.100 0.012 0.000 1.094 164 T CB 1.068 69.702 68.868 -0.390 0.000 0.968 164 T HN 0.545 nan 8.240 nan 0.000 0.521 165 E N 1.070 121.296 120.200 0.044 0.000 2.210 165 E HA 0.375 4.721 4.350 -0.007 0.000 0.266 165 E C -0.916 175.610 176.600 -0.122 0.000 0.883 165 E CA -0.958 55.292 56.400 -0.249 0.000 0.761 165 E CB 1.462 30.742 29.700 -0.700 0.000 1.156 165 E HN 0.726 nan 8.360 nan 0.000 0.412 166 K N 3.764 124.068 120.400 -0.159 0.000 2.156 166 K HA 0.307 4.622 4.320 -0.007 0.000 0.271 166 K C -0.829 175.622 176.600 -0.248 0.000 0.995 166 K CA -0.673 55.537 56.287 -0.130 0.000 0.890 166 K CB 0.917 33.373 32.500 -0.075 0.000 1.073 166 K HN 0.272 nan 8.250 nan 0.000 0.454 167 K N 1.954 122.108 120.400 -0.410 0.000 2.259 167 K HA 0.385 4.701 4.320 -0.007 0.000 0.249 167 K C -0.720 175.649 176.600 -0.385 0.000 0.942 167 K CA -0.809 55.151 56.287 -0.545 0.000 0.816 167 K CB 1.992 33.823 32.500 -1.115 0.000 1.155 167 K HN 0.795 nan 8.250 nan 0.000 0.428 168 A N 2.341 125.049 122.820 -0.186 0.000 2.462 168 A HA 0.034 4.349 4.320 -0.007 0.000 0.243 168 A C -0.235 177.413 177.584 0.107 0.000 1.076 168 A CA -0.388 51.651 52.037 0.003 0.000 0.773 168 A CB 0.119 19.139 19.000 0.033 0.000 1.010 168 A HN 0.727 nan 8.150 nan 0.000 0.493 169 W N 1.994 123.359 121.300 0.108 0.000 2.264 169 W HA 0.339 4.995 4.660 -0.006 0.000 0.331 169 W C 0.970 177.638 176.519 0.249 0.000 1.364 169 W CA 1.796 59.302 57.345 0.267 0.000 1.253 169 W CB 0.482 30.075 29.460 0.222 0.000 1.215 169 W HN 1.444 nan 8.180 nan 0.000 0.561 170 G N 2.884 111.655 108.800 -0.048 0.000 2.213 170 G HA2 -0.307 3.649 3.960 -0.007 0.000 0.236 170 G HA3 -0.307 3.649 3.960 -0.007 0.000 0.236 170 G C 0.324 175.282 174.900 0.096 0.000 0.991 170 G CA 0.262 45.382 45.100 0.033 0.000 0.629 170 G HN 0.932 nan 8.290 nan 0.000 0.517 171 S N 0.035 115.838 115.700 0.172 0.000 2.634 171 S HA 0.664 5.130 4.470 -0.007 0.000 0.261 171 S C 0.736 175.465 174.600 0.216 0.000 1.271 171 S CA 0.708 58.993 58.200 0.142 0.000 0.985 171 S CB 1.544 64.776 63.200 0.055 0.000 0.968 171 S HN 1.560 nan 8.310 nan 0.000 0.568 172 S N -0.390 115.409 115.700 0.166 0.000 2.568 172 S HA 0.074 4.540 4.470 -0.007 0.000 0.282 172 S C 1.211 175.976 174.600 0.276 0.000 1.338 172 S CA -0.288 58.037 58.200 0.209 0.000 1.045 172 S CB 0.245 63.585 63.200 0.233 0.000 0.873 172 S HN 1.418 nan 8.310 nan 0.000 0.516 173 V N 3.548 123.565 119.914 0.172 0.000 3.129 173 V HA 0.240 4.356 4.120 -0.007 0.000 0.259 173 V C 0.311 176.392 176.094 -0.022 0.000 1.116 173 V CA 0.242 62.613 62.300 0.117 0.000 1.127 173 V CB -1.390 30.317 31.823 -0.194 0.000 0.742 173 V HN 0.765 nan 8.190 nan 0.000 0.474 174 Y N 1.912 122.260 120.300 0.081 0.000 2.511 174 Y HA 0.545 5.091 4.550 -0.007 0.000 0.332 174 Y C 1.122 177.052 175.900 0.050 0.000 1.177 174 Y CA 0.112 58.248 58.100 0.060 0.000 1.422 174 Y CB 0.104 38.592 38.460 0.046 0.000 1.271 174 Y HN 0.315 nan 8.280 nan 0.000 0.550 175 A N 3.150 126.087 122.820 0.195 0.000 2.407 175 A HA 0.201 4.517 4.320 -0.007 0.000 0.248 175 A C -0.124 177.562 177.584 0.171 0.000 1.082 175 A CA -0.752 51.375 52.037 0.151 0.000 0.785 175 A CB 0.071 19.183 19.000 0.186 0.000 1.020 175 A HN 0.722 nan 8.150 nan 0.000 0.489 176 D N 1.167 121.660 120.400 0.155 0.000 2.383 176 D HA 0.428 5.064 4.640 -0.007 0.000 0.248 176 D C -2.429 174.037 176.300 0.278 0.000 1.170 176 D CA -1.234 52.875 54.000 0.181 0.000 0.977 176 D CB -0.091 40.788 40.800 0.132 0.000 1.120 176 D HN 0.229 nan 8.370 nan 0.000 0.481 177 P HA 0.150 nan 4.420 nan 0.000 0.264 177 P C 0.717 178.070 177.300 0.088 0.000 1.193 177 P CA 0.740 63.915 63.100 0.125 0.000 0.763 177 P CB 0.545 32.291 31.700 0.076 0.000 0.810 178 G N 0.823 109.607 108.800 -0.026 0.000 2.213 178 G HA2 -0.226 3.729 3.960 -0.007 0.000 0.236 178 G HA3 -0.226 3.729 3.960 -0.007 0.000 0.236 178 G C -0.197 174.443 174.900 -0.433 0.000 0.991 178 G CA -0.366 44.580 45.100 -0.257 0.000 0.629 178 G HN 0.458 nan 8.290 nan 0.000 0.517 179 Y N 0.174 120.498 120.300 0.040 0.000 2.730 179 Y HA 0.710 5.256 4.550 -0.007 0.000 0.325 179 Y C 0.211 176.151 175.900 0.066 0.000 1.132 179 Y CA -0.642 57.487 58.100 0.048 0.000 1.206 179 Y CB 1.197 39.682 38.460 0.043 0.000 1.390 179 Y HN 0.110 nan 8.280 nan 0.000 0.555 180 D N -1.062 119.495 120.400 0.260 0.000 2.575 180 D HA 0.304 4.940 4.640 -0.007 0.000 0.236 180 D C 0.162 176.558 176.300 0.159 0.000 1.075 180 D CA -0.437 53.676 54.000 0.188 0.000 0.860 180 D CB 1.091 42.000 40.800 0.182 0.000 1.475 180 D HN 0.368 nan 8.370 nan 0.000 0.474 181 N N 0.511 119.292 118.700 0.135 0.000 2.205 181 N HA -0.114 4.622 4.740 -0.007 0.000 0.186 181 N C 1.022 176.569 175.510 0.061 0.000 1.015 181 N CA 0.749 53.850 53.050 0.085 0.000 0.862 181 N CB -0.005 38.525 38.487 0.072 0.000 0.986 181 N HN 0.241 nan 8.380 nan 0.000 0.429 182 S N 0.124 115.888 115.700 0.107 0.000 2.603 182 S HA 0.198 4.664 4.470 -0.007 0.000 0.220 182 S C 1.176 175.773 174.600 -0.006 0.000 0.967 182 S CA 0.155 58.421 58.200 0.109 0.000 0.920 182 S CB 0.242 63.571 63.200 0.216 0.000 0.773 182 S HN 0.249 nan 8.310 nan 0.000 0.529 183 L N 1.398 122.642 121.223 0.036 0.000 3.218 183 L HA 0.360 4.696 4.340 -0.007 0.000 0.279 183 L C -0.847 176.071 176.870 0.079 0.000 1.287 183 L CA -0.147 54.769 54.840 0.125 0.000 1.024 183 L CB 0.821 43.033 42.059 0.255 0.000 1.409 183 L HN 0.005 nan 8.230 nan 0.000 0.580 184 V N 0.453 120.252 119.914 -0.192 0.000 2.370 184 V HA 0.436 4.551 4.120 -0.007 0.000 0.283 184 V C -0.501 175.434 176.094 -0.264 0.000 1.023 184 V CA -0.251 61.993 62.300 -0.094 0.000 0.857 184 V CB 1.449 33.260 31.823 -0.021 0.000 0.985 184 V HN 0.037 nan 8.190 nan 0.000 0.443 185 F N 3.884 123.866 119.950 0.053 0.000 2.520 185 F HA 0.583 5.105 4.527 -0.008 0.000 0.322 185 F C 0.264 176.136 175.800 0.120 0.000 1.103 185 F CA -0.804 57.301 58.000 0.174 0.000 0.926 185 F CB 1.710 40.779 39.000 0.116 0.000 1.154 185 F HN 0.325 nan 8.300 nan 0.000 0.453 186 F N 0.693 120.791 119.950 0.247 0.000 2.731 186 F HA 0.327 4.849 4.527 -0.008 0.000 0.298 186 F C 1.725 177.771 175.800 0.411 0.000 1.106 186 F CA 0.329 58.460 58.000 0.219 0.000 1.329 186 F CB 0.227 39.201 39.000 -0.044 0.000 1.100 186 F HN 0.719 nan 8.300 nan 0.000 0.592 187 G N -0.022 109.115 108.800 0.562 0.000 2.179 187 G HA2 -0.173 3.783 3.960 -0.007 0.000 0.220 187 G HA3 -0.173 3.783 3.960 -0.007 0.000 0.220 187 G C 0.753 175.887 174.900 0.390 0.000 0.990 187 G CA -0.324 45.029 45.100 0.422 0.000 0.646 187 G HN 0.682 nan 8.290 nan 0.000 0.517 188 G N 0.587 109.690 108.800 0.505 0.000 2.380 188 G HA2 0.537 4.492 3.960 -0.007 0.000 0.242 188 G HA3 0.537 4.492 3.960 -0.007 0.000 0.242 188 G C 0.046 175.026 174.900 0.134 0.000 1.298 188 G CA 1.058 46.358 45.100 0.333 0.000 0.878 188 G HN 1.043 nan 8.290 nan 0.000 0.542 189 D N 0.342 120.755 120.400 0.021 0.000 2.752 189 D HA 0.208 4.844 4.640 -0.007 0.000 0.313 189 D C 1.247 177.507 176.300 -0.066 0.000 1.225 189 D CA -0.926 53.059 54.000 -0.024 0.000 0.976 189 D CB 0.350 41.224 40.800 0.122 0.000 1.443 189 D HN 0.172 nan 8.370 nan 0.000 0.515 190 L N -0.181 121.026 121.223 -0.027 0.000 2.056 190 L HA -0.048 4.288 4.340 -0.007 0.000 0.207 190 L C 2.468 179.343 176.870 0.009 0.000 1.078 190 L CA 1.734 56.560 54.840 -0.022 0.000 0.749 190 L CB -0.742 41.327 42.059 0.017 0.000 0.901 190 L HN 0.643 nan 8.230 nan 0.000 0.433 191 A N 0.550 123.379 122.820 0.016 0.000 1.940 191 A HA -0.142 4.174 4.320 -0.007 0.000 0.219 191 A C 2.402 180.005 177.584 0.031 0.000 1.176 191 A CA 1.771 53.815 52.037 0.010 0.000 0.631 191 A CB -1.202 17.794 19.000 -0.007 0.000 0.814 191 A HN 0.452 nan 8.150 nan 0.000 0.446 192 G N 0.207 109.024 108.800 0.028 0.000 2.459 192 G HA2 -0.224 3.731 3.960 -0.007 0.000 0.217 192 G HA3 -0.224 3.731 3.960 -0.007 0.000 0.217 192 G C 1.525 176.580 174.900 0.259 0.000 1.183 192 G CA 1.187 46.370 45.100 0.139 0.000 0.776 192 G HN 0.495 nan 8.290 nan 0.000 0.552 193 I N 0.888 121.591 120.570 0.223 0.000 2.226 193 I HA -0.157 4.009 4.170 -0.007 0.000 0.245 193 I C 2.442 178.634 176.117 0.125 0.000 1.100 193 I CA 1.571 63.024 61.300 0.254 0.000 1.374 193 I CB -0.300 37.746 38.000 0.078 0.000 1.057 193 I HN 0.151 nan 8.210 nan 0.000 0.413 194 D N 0.871 121.305 120.400 0.056 0.000 2.123 194 D HA -0.229 4.407 4.640 -0.007 0.000 0.196 194 D C 2.181 178.484 176.300 0.005 0.000 0.992 194 D CA 1.525 55.533 54.000 0.014 0.000 0.833 194 D CB -0.003 40.797 40.800 -0.000 0.000 0.954 194 D HN 0.348 nan 8.370 nan 0.000 0.455 195 Q N -1.007 118.800 119.800 0.012 0.000 2.369 195 Q HA -0.009 4.327 4.340 -0.007 0.000 0.206 195 Q C 0.955 176.873 176.000 -0.136 0.000 0.963 195 Q CA 0.662 56.437 55.803 -0.046 0.000 0.894 195 Q CB 0.313 29.046 28.738 -0.009 0.000 0.965 195 Q HN 0.113 nan 8.270 nan 0.000 0.475 196 K N 0.250 120.595 120.400 -0.091 0.000 2.440 196 K HA 0.172 4.488 4.320 -0.007 0.000 0.206 196 K C 1.304 177.959 176.600 0.091 0.000 1.025 196 K CA -0.020 56.205 56.287 -0.103 0.000 1.135 196 K CB 0.563 32.950 32.500 -0.189 0.000 0.856 196 K HN 0.210 nan 8.250 nan 0.000 0.502 197 L N 0.040 121.286 121.223 0.038 0.000 2.079 197 L HA -0.155 4.181 4.340 -0.007 0.000 0.210 197 L C 2.236 179.110 176.870 0.008 0.000 1.081 197 L CA 1.629 56.478 54.840 0.015 0.000 0.752 197 L CB -0.627 41.422 42.059 -0.018 0.000 0.896 197 L HN 0.295 nan 8.230 nan 0.000 0.433 198 G N -0.851 107.957 108.800 0.014 0.000 2.440 198 G HA2 -0.372 3.583 3.960 -0.007 0.000 0.218 198 G HA3 -0.372 3.583 3.960 -0.007 0.000 0.218 198 G C 1.463 176.398 174.900 0.059 0.000 1.154 198 G CA 0.943 46.054 45.100 0.018 0.000 0.767 198 G HN 0.407 nan 8.290 nan 0.000 0.552 199 Y N 1.306 121.605 120.300 -0.002 0.000 2.224 199 Y HA -0.013 4.532 4.550 -0.008 0.000 0.289 199 Y C 2.464 178.364 175.900 0.001 0.000 1.146 199 Y CA 1.163 59.296 58.100 0.055 0.000 1.182 199 Y CB -0.117 38.456 38.460 0.188 0.000 0.983 199 Y HN 0.216 nan 8.280 nan 0.000 0.524 200 I N 0.140 120.607 120.570 -0.172 0.000 2.193 200 I HA -0.248 3.917 4.170 -0.007 0.000 0.240 200 I C 2.169 178.134 176.117 -0.253 0.000 1.084 200 I CA 1.515 62.584 61.300 -0.386 0.000 1.365 200 I CB -0.375 37.436 38.000 -0.315 0.000 1.064 200 I HN 0.071 nan 8.210 nan 0.000 0.410 201 K N 0.711 121.030 120.400 -0.135 0.000 2.305 201 K HA -0.022 4.294 4.320 -0.007 0.000 0.199 201 K C 1.753 178.311 176.600 -0.070 0.000 1.047 201 K CA 0.825 57.062 56.287 -0.084 0.000 0.976 201 K CB 0.208 32.673 32.500 -0.058 0.000 0.765 201 K HN 0.346 nan 8.250 nan 0.000 0.474 202 K N -0.252 120.106 120.400 -0.071 0.000 2.309 202 K HA 0.099 4.415 4.320 -0.007 0.000 0.210 202 K C 2.135 178.704 176.600 -0.053 0.000 1.114 202 K CA 0.529 56.789 56.287 -0.044 0.000 0.912 202 K CB -0.011 32.479 32.500 -0.018 0.000 1.198 202 K HN -0.150 nan 8.250 nan 0.000 0.471 203 T N 2.322 116.840 114.554 -0.061 0.000 2.720 203 T HA -0.096 4.250 4.350 -0.007 0.000 0.268 203 T C 1.811 176.435 174.700 -0.125 0.000 1.037 203 T CA 1.302 63.374 62.100 -0.047 0.000 1.144 203 T CB -0.113 68.791 68.868 0.059 0.000 0.864 203 T HN 0.048 nan 8.240 nan 0.000 0.444 204 L N -0.861 120.203 121.223 -0.265 0.000 2.262 204 L HA 0.350 4.685 4.340 -0.007 0.000 0.197 204 L C 2.291 179.104 176.870 -0.096 0.000 1.073 204 L CA 0.813 55.536 54.840 -0.196 0.000 0.800 204 L CB -0.302 41.575 42.059 -0.303 0.000 0.987 204 L HN 0.514 nan 8.230 nan 0.000 0.470 205 G N -0.193 108.543 108.800 -0.106 0.000 2.192 205 G HA2 -0.183 3.773 3.960 -0.007 0.000 0.193 205 G HA3 -0.183 3.773 3.960 -0.007 0.000 0.193 205 G C 0.399 175.288 174.900 -0.018 0.000 0.999 205 G CA -0.161 44.911 45.100 -0.046 0.000 0.659 205 G HN 0.484 nan 8.290 nan 0.000 0.503 206 A N 0.569 123.374 122.820 -0.026 0.000 2.540 206 A HA 0.528 4.843 4.320 -0.007 0.000 0.239 206 A C 1.035 178.643 177.584 0.039 0.000 1.061 206 A CA 1.161 53.219 52.037 0.035 0.000 0.758 206 A CB -0.143 18.900 19.000 0.073 0.000 0.991 206 A HN 1.231 nan 8.150 nan 0.000 0.502 207 N N 1.174 119.934 118.700 0.100 0.000 2.184 207 N HA 0.304 5.039 4.740 -0.007 0.000 0.206 207 N C -0.495 175.139 175.510 0.207 0.000 1.151 207 N CA -0.302 52.823 53.050 0.125 0.000 0.878 207 N CB 0.302 38.889 38.487 0.167 0.000 1.014 207 N HN 0.529 nan 8.380 nan 0.000 0.512 208 I N 1.089 121.786 120.570 0.212 0.000 2.498 208 I HA 0.355 4.521 4.170 -0.007 0.000 0.290 208 I C -1.338 174.896 176.117 0.195 0.000 1.032 208 I CA -1.073 60.380 61.300 0.256 0.000 1.073 208 I CB 2.161 40.359 38.000 0.330 0.000 1.251 208 I HN -0.057 nan 8.210 nan 0.000 0.426 209 L N 6.599 127.915 121.223 0.155 0.000 2.341 209 L HA 0.433 4.768 4.340 -0.007 0.000 0.278 209 L C -0.979 175.973 176.870 0.137 0.000 1.005 209 L CA -0.542 54.367 54.840 0.115 0.000 0.818 209 L CB 1.412 43.481 42.059 0.017 0.000 1.259 209 L HN 0.375 nan 8.230 nan 0.000 0.418 210 Y N 4.547 124.837 120.300 -0.016 0.000 2.331 210 Y HA 0.750 5.295 4.550 -0.008 0.000 0.334 210 Y C -1.567 174.254 175.900 -0.131 0.000 0.960 210 Y CA -1.495 56.566 58.100 -0.066 0.000 1.130 210 Y CB 1.052 39.483 38.460 -0.048 0.000 1.164 210 Y HN 0.436 nan 8.280 nan 0.000 0.458 211 L N 5.798 126.783 121.223 -0.396 0.000 2.334 211 L HA 0.504 4.840 4.340 -0.007 0.000 0.276 211 L C -0.042 176.388 176.870 -0.733 0.000 1.014 211 L CA -1.015 53.466 54.840 -0.598 0.000 0.815 211 L CB 1.743 43.555 42.059 -0.412 0.000 1.268 211 L HN 0.672 nan 8.230 nan 0.000 0.428 212 N N 1.597 119.833 118.700 -0.774 0.000 2.294 212 N HA 0.195 4.931 4.740 -0.007 0.000 0.248 212 N C -2.498 172.635 175.510 -0.627 0.000 1.300 212 N CA -0.799 51.830 53.050 -0.702 0.000 0.925 212 N CB 0.040 38.053 38.487 -0.790 0.000 1.188 212 N HN 0.378 nan 8.380 nan 0.000 0.512 213 P HA -0.077 nan 4.420 nan 0.000 0.263 213 P C -0.146 176.906 177.300 -0.413 0.000 1.168 213 P CA 0.866 63.593 63.100 -0.621 0.000 0.759 213 P CB 0.169 31.430 31.700 -0.733 0.000 0.782 214 I N -2.369 117.915 120.570 -0.477 0.000 4.310 214 I HA 0.323 4.489 4.170 -0.007 0.000 0.328 214 I C -0.426 175.625 176.117 -0.109 0.000 1.406 214 I CA -0.278 60.948 61.300 -0.123 0.000 1.174 214 I CB 0.127 38.008 38.000 -0.198 0.000 1.279 214 I HN -0.075 nan 8.210 nan 0.000 0.471 215 F N 2.233 122.130 119.950 -0.089 0.000 2.370 215 F HA 0.436 4.958 4.527 -0.008 0.000 0.324 215 F C 1.021 176.709 175.800 -0.186 0.000 1.116 215 F CA -1.455 56.478 58.000 -0.112 0.000 1.123 215 F CB 0.516 39.459 39.000 -0.095 0.000 1.238 215 F HN -0.094 nan 8.300 nan 0.000 0.536 216 K N 1.444 121.867 120.400 0.037 0.000 2.440 216 K HA 0.370 4.686 4.320 -0.007 0.000 0.275 216 K C -0.903 175.612 176.600 -0.142 0.000 1.082 216 K CA 0.360 56.585 56.287 -0.104 0.000 1.135 216 K CB -0.284 32.154 32.500 -0.103 0.000 0.864 216 K HN 0.788 nan 8.250 nan 0.000 0.479 217 A N 5.567 128.276 122.820 -0.184 0.000 2.594 217 A HA 0.395 4.711 4.320 -0.007 0.000 0.296 217 A C -2.434 175.040 177.584 -0.183 0.000 1.061 217 A CA -1.150 50.779 52.037 -0.180 0.000 0.689 217 A CB 1.493 20.381 19.000 -0.186 0.000 1.280 217 A HN 0.602 nan 8.150 nan 0.000 0.406 218 P HA -0.019 nan 4.420 nan 0.000 0.222 218 P C 0.917 178.255 177.300 0.064 0.000 1.153 218 P CA 1.618 64.652 63.100 -0.110 0.000 0.798 218 P CB -0.207 31.293 31.700 -0.334 0.000 0.796 219 T N -1.444 113.012 114.554 -0.162 0.000 2.770 219 T HA 0.128 4.473 4.350 -0.007 0.000 0.281 219 T C 1.329 175.961 174.700 -0.112 0.000 0.981 219 T CA -0.370 61.618 62.100 -0.187 0.000 0.955 219 T CB 0.078 68.561 68.868 -0.641 0.000 1.060 219 T HN 0.187 nan 8.240 nan 0.000 0.531 220 N N -0.239 118.272 118.700 -0.316 0.000 2.424 220 N HA -0.107 4.628 4.740 -0.007 0.000 0.178 220 N C 1.724 177.240 175.510 0.009 0.000 1.060 220 N CA 0.232 53.107 53.050 -0.292 0.000 0.901 220 N CB -0.364 37.773 38.487 -0.584 0.000 0.979 220 N HN 0.842 nan 8.380 nan 0.000 0.451 221 H N 0.614 119.740 119.070 0.093 0.000 2.486 221 H HA 0.237 4.788 4.556 -0.007 0.000 0.287 221 H C 0.043 175.252 175.328 -0.199 0.000 1.010 221 H CA 0.312 56.375 56.048 0.024 0.000 1.324 221 H CB 0.095 30.096 29.762 0.398 0.000 1.446 221 H HN 0.006 nan 8.280 nan 0.000 0.537 222 K N -0.160 119.982 120.400 -0.430 0.000 3.192 222 K HA -0.217 4.099 4.320 -0.007 0.000 0.278 222 K C -0.497 175.984 176.600 -0.199 0.000 1.164 222 K CA 0.731 56.829 56.287 -0.315 0.000 0.816 222 K CB -2.155 30.178 32.500 -0.278 0.000 1.256 222 K HN 0.384 nan 8.250 nan 0.000 0.497 223 Y N 1.077 121.492 120.300 0.192 0.000 2.490 223 Y HA -0.026 4.519 4.550 -0.007 0.000 0.281 223 Y C 1.218 177.213 175.900 0.158 0.000 1.174 223 Y CA 0.557 58.762 58.100 0.176 0.000 1.295 223 Y CB 0.331 38.919 38.460 0.212 0.000 1.062 223 Y HN 0.201 nan 8.280 nan 0.000 0.522 224 D N -0.523 119.992 120.400 0.192 0.000 2.970 224 D HA 0.055 4.690 4.640 -0.007 0.000 0.282 224 D C -0.220 176.092 176.300 0.020 0.000 1.291 224 D CA -0.265 53.821 54.000 0.143 0.000 0.967 224 D CB -0.433 40.427 40.800 0.100 0.000 1.017 224 D HN -0.116 nan 8.370 nan 0.000 0.512 225 T N 0.782 115.322 114.554 -0.024 0.000 2.923 225 T HA -0.106 4.240 4.350 -0.007 0.000 0.304 225 T C 0.958 175.596 174.700 -0.104 0.000 1.044 225 T CA 0.508 62.499 62.100 -0.181 0.000 1.141 225 T CB 1.628 70.175 68.868 -0.533 0.000 1.023 225 T HN 0.418 nan 8.240 nan 0.000 0.533 226 Q N 0.896 120.601 119.800 -0.158 0.000 2.391 226 Q HA 0.096 4.431 4.340 -0.007 0.000 0.243 226 Q C -0.362 175.331 176.000 -0.512 0.000 0.874 226 Q CA 0.155 55.846 55.803 -0.186 0.000 0.950 226 Q CB 0.810 29.492 28.738 -0.093 0.000 1.103 226 Q HN 0.640 nan 8.270 nan 0.000 0.544 227 D N -0.998 119.164 120.400 -0.396 0.000 2.419 227 D HA 0.076 4.711 4.640 -0.007 0.000 0.219 227 D C -0.692 175.439 176.300 -0.282 0.000 1.349 227 D CA -0.343 53.419 54.000 -0.397 0.000 0.964 227 D CB 0.225 40.850 40.800 -0.292 0.000 1.463 227 D HN 0.068 nan 8.370 nan 0.000 0.573 228 Y N 1.807 121.982 120.300 -0.209 0.000 2.497 228 Y HA -0.058 4.487 4.550 -0.008 0.000 0.292 228 Y C 2.096 177.623 175.900 -0.622 0.000 1.137 228 Y CA 0.620 58.442 58.100 -0.464 0.000 1.285 228 Y CB 0.043 38.388 38.460 -0.192 0.000 0.991 228 Y HN 0.387 nan 8.280 nan 0.000 0.556 229 M N -0.640 118.889 119.600 -0.119 0.000 2.561 229 M HA 0.278 4.753 4.480 -0.007 0.000 0.238 229 M C 0.452 176.751 176.300 -0.002 0.000 1.131 229 M CA -0.008 55.266 55.300 -0.043 0.000 1.046 229 M CB -0.881 31.714 32.600 -0.008 0.000 1.532 229 M HN 0.060 nan 8.290 nan 0.000 0.497 230 A N 0.427 123.232 122.820 -0.024 0.000 2.374 230 A HA 0.641 4.956 4.320 -0.007 0.000 0.305 230 A C -0.367 177.306 177.584 0.148 0.000 1.053 230 A CA -0.653 51.423 52.037 0.064 0.000 0.726 230 A CB 1.411 20.422 19.000 0.018 0.000 1.229 230 A HN -0.028 nan 8.150 nan 0.000 0.431 231 V N 2.841 122.882 119.914 0.211 0.000 2.655 231 V HA 0.018 4.134 4.120 -0.007 0.000 0.300 231 V C 0.781 176.925 176.094 0.083 0.000 1.044 231 V CA -0.129 62.309 62.300 0.230 0.000 1.095 231 V CB 0.982 32.933 31.823 0.214 0.000 0.952 231 V HN 0.939 nan 8.190 nan 0.000 0.485 232 D N 6.332 126.727 120.400 -0.008 0.000 2.487 232 D HA 0.016 4.652 4.640 -0.007 0.000 0.243 232 D C -1.542 174.665 176.300 -0.155 0.000 1.154 232 D CA -1.107 52.781 54.000 -0.187 0.000 0.876 232 D CB 1.747 42.260 40.800 -0.478 0.000 1.161 232 D HN 0.267 nan 8.370 nan 0.000 0.478 233 P HA -0.197 nan 4.420 nan 0.000 0.217 233 P C 0.925 178.187 177.300 -0.064 0.000 1.151 233 P CA 1.778 64.831 63.100 -0.077 0.000 0.849 233 P CB 0.145 31.786 31.700 -0.099 0.000 0.787 234 A N -1.692 121.036 122.820 -0.152 0.000 1.972 234 A HA -0.147 4.168 4.320 -0.007 0.000 0.219 234 A C 1.916 179.601 177.584 0.168 0.000 1.169 234 A CA 1.332 53.323 52.037 -0.077 0.000 0.635 234 A CB -1.611 17.263 19.000 -0.209 0.000 0.810 234 A HN 0.227 nan 8.150 nan 0.000 0.446 235 F N -1.238 118.721 119.950 0.014 0.000 2.776 235 F HA 0.361 4.883 4.527 -0.007 0.000 0.300 235 F C 1.592 177.396 175.800 0.008 0.000 1.116 235 F CA 0.001 58.006 58.000 0.009 0.000 1.375 235 F CB 0.314 39.303 39.000 -0.019 0.000 1.109 235 F HN 0.518 nan 8.300 nan 0.000 0.585 236 G N 0.986 109.891 108.800 0.174 0.000 2.255 236 G HA2 -0.052 3.904 3.960 -0.007 0.000 0.216 236 G HA3 -0.052 3.904 3.960 -0.007 0.000 0.216 236 G C -1.971 172.984 174.900 0.092 0.000 1.307 236 G CA -0.334 44.831 45.100 0.108 0.000 1.162 236 G HN 0.194 nan 8.290 nan 0.000 0.494 237 D N -1.258 119.198 120.400 0.094 0.000 2.727 237 D HA 0.547 5.182 4.640 -0.007 0.000 0.264 237 D C 0.837 177.225 176.300 0.147 0.000 1.101 237 D CA -0.520 53.541 54.000 0.102 0.000 1.122 237 D CB 0.066 40.911 40.800 0.074 0.000 1.390 237 D HN 0.243 nan 8.370 nan 0.000 0.606 238 N N -0.827 117.978 118.700 0.176 0.000 2.223 238 N HA -0.113 4.623 4.740 -0.007 0.000 0.185 238 N C 1.570 177.235 175.510 0.258 0.000 1.016 238 N CA 1.690 54.905 53.050 0.275 0.000 0.863 238 N CB -0.180 38.497 38.487 0.316 0.000 0.983 238 N HN 0.498 nan 8.380 nan 0.000 0.429 239 S N -1.331 114.457 115.700 0.148 0.000 2.453 239 S HA -0.017 4.449 4.470 -0.007 0.000 0.231 239 S C 1.734 176.382 174.600 0.080 0.000 1.005 239 S CA 0.949 59.203 58.200 0.090 0.000 0.949 239 S CB -0.540 62.688 63.200 0.048 0.000 0.774 239 S HN 0.173 nan 8.310 nan 0.000 0.510 240 T N 2.544 117.153 114.554 0.092 0.000 2.904 240 T HA 0.126 4.472 4.350 -0.007 0.000 0.267 240 T C 1.576 176.324 174.700 0.079 0.000 1.059 240 T CA 1.022 63.164 62.100 0.070 0.000 1.137 240 T CB -0.389 68.523 68.868 0.072 0.000 0.879 240 T HN 0.319 nan 8.240 nan 0.000 0.467 241 L N 1.278 122.582 121.223 0.135 0.000 2.072 241 L HA 0.050 4.386 4.340 -0.007 0.000 0.205 241 L C 2.374 179.329 176.870 0.143 0.000 1.079 241 L CA 1.662 56.592 54.840 0.151 0.000 0.752 241 L CB -0.805 41.406 42.059 0.253 0.000 0.906 241 L HN 0.165 nan 8.230 nan 0.000 0.436 242 Q N -1.002 118.897 119.800 0.165 0.000 2.096 242 Q HA -0.199 4.136 4.340 -0.007 0.000 0.204 242 Q C 1.982 177.981 176.000 -0.001 0.000 0.982 242 Q CA 2.402 58.243 55.803 0.064 0.000 0.850 242 Q CB -0.372 28.355 28.738 -0.018 0.000 0.901 242 Q HN 0.546 nan 8.270 nan 0.000 0.422 243 T N 1.512 116.069 114.554 0.005 0.000 2.708 243 T HA -0.155 4.191 4.350 -0.007 0.000 0.266 243 T C 1.736 176.413 174.700 -0.038 0.000 1.037 243 T CA 1.163 63.253 62.100 -0.018 0.000 1.146 243 T CB -0.328 68.536 68.868 -0.006 0.000 0.865 243 T HN 0.142 nan 8.240 nan 0.000 0.435 244 L N 1.256 122.462 121.223 -0.029 0.000 2.012 244 L HA 0.005 4.341 4.340 -0.007 0.000 0.210 244 L C 2.148 178.947 176.870 -0.117 0.000 1.073 244 L CA 1.552 56.358 54.840 -0.056 0.000 0.748 244 L CB -0.803 41.231 42.059 -0.042 0.000 0.891 244 L HN 0.292 nan 8.230 nan 0.000 0.431 245 I N -0.079 120.407 120.570 -0.140 0.000 2.264 245 I HA -0.307 3.858 4.170 -0.007 0.000 0.248 245 I C 2.043 177.910 176.117 -0.416 0.000 1.111 245 I CA 1.147 62.256 61.300 -0.319 0.000 1.382 245 I CB -0.586 37.263 38.000 -0.251 0.000 1.060 245 I HN 0.391 nan 8.210 nan 0.000 0.418 246 N N 0.865 119.442 118.700 -0.205 0.000 2.120 246 N HA -0.168 4.568 4.740 -0.007 0.000 0.188 246 N C 1.394 176.845 175.510 -0.098 0.000 1.024 246 N CA 1.361 54.337 53.050 -0.123 0.000 0.852 246 N CB -0.425 38.023 38.487 -0.066 0.000 1.003 246 N HN 0.326 nan 8.380 nan 0.000 0.424 247 D N 0.370 120.711 120.400 -0.098 0.000 2.269 247 D HA 0.046 4.682 4.640 -0.007 0.000 0.208 247 D C 1.986 178.234 176.300 -0.087 0.000 0.963 247 D CA 0.238 54.193 54.000 -0.075 0.000 0.864 247 D CB 0.060 40.824 40.800 -0.059 0.000 0.936 247 D HN 0.317 nan 8.370 nan 0.000 0.505 248 I N -0.015 120.475 120.570 -0.134 0.000 2.333 248 I HA -0.175 3.991 4.170 -0.007 0.000 0.246 248 I C 1.968 178.035 176.117 -0.083 0.000 1.106 248 I CA 0.872 62.096 61.300 -0.127 0.000 1.411 248 I CB -0.172 37.723 38.000 -0.174 0.000 1.082 248 I HN 0.093 nan 8.210 nan 0.000 0.420 249 H N -0.622 118.335 119.070 -0.187 0.000 2.462 249 H HA 0.005 4.556 4.556 -0.008 0.000 0.292 249 H C 1.536 176.746 175.328 -0.196 0.000 1.049 249 H CA -0.058 55.843 56.048 -0.245 0.000 1.334 249 H CB 0.188 29.831 29.762 -0.199 0.000 1.404 249 H HN 0.156 nan 8.280 nan 0.000 0.544 250 S N 0.938 116.629 115.700 -0.014 0.000 2.558 250 S HA -0.062 4.404 4.470 -0.007 0.000 0.291 250 S C 1.440 176.003 174.600 -0.062 0.000 1.306 250 S CA 0.357 58.532 58.200 -0.041 0.000 1.056 250 S CB 0.550 63.726 63.200 -0.040 0.000 0.836 250 S HN 0.519 nan 8.310 nan 0.000 0.504 251 T N 1.495 116.014 114.554 -0.059 0.000 3.085 251 T HA 0.453 4.799 4.350 -0.007 0.000 0.264 251 T C 1.030 175.704 174.700 -0.043 0.000 1.019 251 T CA 0.146 62.211 62.100 -0.058 0.000 0.910 251 T CB 0.244 69.076 68.868 -0.059 0.000 1.059 251 T HN 0.597 nan 8.240 nan 0.000 0.542 252 A N 2.613 125.410 122.820 -0.039 0.000 2.238 252 A HA 0.246 4.561 4.320 -0.007 0.000 0.210 252 A C 1.581 179.146 177.584 -0.031 0.000 1.179 252 A CA 0.374 52.391 52.037 -0.032 0.000 0.827 252 A CB -0.557 18.425 19.000 -0.030 0.000 0.856 252 A HN 0.814 nan 8.150 nan 0.000 0.488 253 N N -1.809 116.869 118.700 -0.035 0.000 2.291 253 N HA 0.447 5.183 4.740 -0.007 0.000 0.244 253 N C 0.463 175.952 175.510 -0.034 0.000 1.216 253 N CA 0.206 53.237 53.050 -0.033 0.000 0.879 253 N CB 0.780 39.245 38.487 -0.035 0.000 1.167 253 N HN 0.382 nan 8.380 nan 0.000 0.515 254 G N 1.403 110.182 108.800 -0.035 0.000 2.302 254 G HA2 -0.022 3.933 3.960 -0.007 0.000 0.276 254 G HA3 -0.022 3.933 3.960 -0.007 0.000 0.276 254 G C -3.198 171.679 174.900 -0.037 0.000 1.316 254 G CA -0.956 44.124 45.100 -0.033 0.000 0.988 254 G HN 0.042 nan 8.290 nan 0.000 0.479 255 P HA 0.233 nan 4.420 nan 0.000 0.272 255 P C -0.430 176.831 177.300 -0.064 0.000 1.240 255 P CA -0.116 62.966 63.100 -0.030 0.000 0.791 255 P CB 0.735 32.433 31.700 -0.003 0.000 0.978 256 K N 0.757 121.102 120.400 -0.091 0.000 2.451 256 K HA 0.269 4.585 4.320 -0.007 0.000 0.280 256 K C 0.403 176.816 176.600 -0.312 0.000 1.020 256 K CA 0.025 56.188 56.287 -0.208 0.000 1.008 256 K CB -0.095 32.258 32.500 -0.245 0.000 0.917 256 K HN 0.656 nan 8.250 nan 0.000 0.478 257 G N 2.688 111.269 108.800 -0.365 0.000 2.471 257 G HA2 0.495 4.451 3.960 -0.007 0.000 0.332 257 G HA3 0.495 4.451 3.960 -0.007 0.000 0.332 257 G C -1.669 172.855 174.900 -0.626 0.000 1.176 257 G CA -0.580 44.321 45.100 -0.332 0.000 0.949 257 G HN 0.556 nan 8.290 nan 0.000 0.488 258 Y N -0.954 119.277 120.300 -0.114 0.000 2.477 258 Y HA 0.549 5.095 4.550 -0.006 0.000 0.347 258 Y C -0.422 175.413 175.900 -0.107 0.000 0.981 258 Y CA -0.923 57.026 58.100 -0.251 0.000 1.033 258 Y CB 2.610 40.617 38.460 -0.754 0.000 1.245 258 Y HN 0.499 nan 8.280 nan 0.000 0.455 259 L N 4.447 125.703 121.223 0.056 0.000 2.333 259 L HA 0.698 5.034 4.340 -0.007 0.000 0.280 259 L C -1.411 175.473 176.870 0.025 0.000 1.004 259 L CA -0.672 54.179 54.840 0.018 0.000 0.820 259 L CB 0.968 42.987 42.059 -0.065 0.000 1.247 259 L HN 0.571 nan 8.230 nan 0.000 0.416 260 I N 5.969 126.572 120.570 0.056 0.000 2.406 260 I HA 0.383 4.549 4.170 -0.007 0.000 0.290 260 I C -0.691 175.425 176.117 -0.001 0.000 0.999 260 I CA -0.580 60.745 61.300 0.042 0.000 1.124 260 I CB 1.687 39.759 38.000 0.119 0.000 1.289 260 I HN 0.481 nan 8.210 nan 0.000 0.441 261 L N 4.635 125.738 121.223 -0.199 0.000 2.344 261 L HA 0.420 4.756 4.340 -0.007 0.000 0.272 261 L C -0.064 176.841 176.870 0.060 0.000 1.035 261 L CA -0.755 53.943 54.840 -0.237 0.000 0.807 261 L CB 1.466 43.136 42.059 -0.649 0.000 1.237 261 L HN 0.501 nan 8.230 nan 0.000 0.442 262 D N 1.494 121.935 120.400 0.068 0.000 2.343 262 D HA 0.238 4.874 4.640 -0.007 0.000 0.255 262 D C -0.117 176.287 176.300 0.174 0.000 1.187 262 D CA 0.094 54.178 54.000 0.139 0.000 0.875 262 D CB 1.654 42.437 40.800 -0.029 0.000 1.136 262 D HN 0.636 nan 8.370 nan 0.000 0.469 263 G N 2.687 111.519 108.800 0.054 0.000 2.522 263 G HA2 0.397 4.353 3.960 -0.007 0.000 0.318 263 G HA3 0.397 4.353 3.960 -0.007 0.000 0.318 263 G C -0.262 174.032 174.900 -1.010 0.000 1.192 263 G CA -0.504 44.176 45.100 -0.701 0.000 0.988 263 G HN 0.355 nan 8.290 nan 0.000 0.480 264 V N 3.920 123.497 119.914 -0.561 0.000 2.258 264 V HA 0.208 4.323 4.120 -0.007 0.000 0.258 264 V C 0.032 176.082 176.094 -0.074 0.000 1.121 264 V CA -0.389 61.765 62.300 -0.244 0.000 0.942 264 V CB -0.432 31.395 31.823 0.006 0.000 1.170 264 V HN 0.661 nan 8.190 nan 0.000 0.487 265 F N 0.988 120.987 119.950 0.082 0.000 2.721 265 F HA 0.197 4.719 4.527 -0.008 0.000 0.301 265 F C 1.968 177.879 175.800 0.186 0.000 1.096 265 F CA -0.411 57.657 58.000 0.114 0.000 1.308 265 F CB -0.432 38.623 39.000 0.091 0.000 1.086 265 F HN 0.459 nan 8.300 nan 0.000 0.587 266 N N 0.297 119.133 118.700 0.227 0.000 2.354 266 N HA -0.109 4.626 4.740 -0.007 0.000 0.179 266 N C 0.207 175.941 175.510 0.373 0.000 1.021 266 N CA 0.965 54.214 53.050 0.332 0.000 0.887 266 N CB 0.173 38.907 38.487 0.413 0.000 0.974 266 N HN 0.387 nan 8.380 nan 0.000 0.437 267 H N -2.612 116.660 119.070 0.337 0.000 2.928 267 H HA 0.368 4.919 4.556 -0.007 0.000 0.285 267 H C -0.840 174.677 175.328 0.315 0.000 1.438 267 H CA -0.594 55.636 56.048 0.304 0.000 1.176 267 H CB 1.046 30.971 29.762 0.270 0.000 1.864 267 H HN 0.008 nan 8.280 nan 0.000 0.567 268 T N -2.146 112.668 114.554 0.433 0.000 2.864 268 T HA 0.596 4.941 4.350 -0.007 0.000 0.289 268 T C 0.460 175.309 174.700 0.250 0.000 1.082 268 T CA -0.388 61.880 62.100 0.280 0.000 1.009 268 T CB 1.768 70.743 68.868 0.179 0.000 1.234 268 T HN 0.885 nan 8.240 nan 0.000 0.526 269 G N -0.001 108.903 108.800 0.173 0.000 2.599 269 G HA2 0.395 4.351 3.960 -0.007 0.000 0.264 269 G HA3 0.395 4.351 3.960 -0.007 0.000 0.264 269 G C 0.499 175.479 174.900 0.134 0.000 1.200 269 G CA -0.248 44.952 45.100 0.166 0.000 0.896 269 G HN 0.863 nan 8.290 nan 0.000 0.536 270 D N -1.655 118.845 120.400 0.167 0.000 2.363 270 D HA -0.112 4.524 4.640 -0.007 0.000 0.220 270 D C 1.864 178.347 176.300 0.305 0.000 0.994 270 D CA 0.911 54.979 54.000 0.113 0.000 0.890 270 D CB -0.056 40.821 40.800 0.127 0.000 0.906 270 D HN 0.297 nan 8.370 nan 0.000 0.530 271 S N -1.307 114.629 115.700 0.394 0.000 2.582 271 S HA 0.074 4.539 4.470 -0.007 0.000 0.234 271 S C 0.162 174.975 174.600 0.356 0.000 0.961 271 S CA -0.808 57.665 58.200 0.455 0.000 0.953 271 S CB -0.941 62.591 63.200 0.554 0.000 0.800 271 S HN 0.404 nan 8.310 nan 0.000 0.471 272 H N 2.941 122.093 119.070 0.137 0.000 2.646 272 H HA 0.313 4.864 4.556 -0.008 0.000 0.325 272 H C -1.407 173.805 175.328 -0.193 0.000 1.075 272 H CA -1.543 54.449 56.048 -0.095 0.000 1.421 272 H CB 1.187 30.870 29.762 -0.131 0.000 1.461 272 H HN -0.034 nan 8.280 nan 0.000 0.525 273 P HA -0.260 nan 4.420 nan 0.000 0.218 273 P C 0.840 177.986 177.300 -0.256 0.000 1.146 273 P CA 1.322 63.932 63.100 -0.816 0.000 0.820 273 P CB 0.095 30.889 31.700 -1.509 0.000 0.778 274 W N -1.524 119.717 121.300 -0.097 0.000 2.425 274 W HA -0.017 4.639 4.660 -0.007 0.000 0.277 274 W C 2.275 179.009 176.519 0.358 0.000 1.231 274 W CA 0.386 57.642 57.345 -0.148 0.000 1.248 274 W CB -1.543 27.907 29.460 -0.016 0.000 1.117 274 W HN -0.021 nan 8.180 nan 0.000 0.568 275 F N 0.258 120.398 119.950 0.317 0.000 2.480 275 F HA 0.072 4.594 4.527 -0.007 0.000 0.280 275 F C 0.487 176.378 175.800 0.153 0.000 1.002 275 F CA 0.942 58.977 58.000 0.057 0.000 1.325 275 F CB -0.347 38.478 39.000 -0.291 0.000 1.134 275 F HN -0.340 nan 8.300 nan 0.000 0.646 276 D N 1.313 121.885 120.400 0.288 0.000 2.803 276 D HA -0.269 4.366 4.640 -0.007 0.000 0.233 276 D C 1.103 177.461 176.300 0.098 0.000 1.182 276 D CA 0.763 54.914 54.000 0.252 0.000 0.726 276 D CB -0.689 40.288 40.800 0.296 0.000 0.987 276 D HN 0.475 nan 8.370 nan 0.000 0.412 277 K N -0.100 120.237 120.400 -0.106 0.000 2.148 277 K HA -0.137 4.179 4.320 -0.007 0.000 0.204 277 K C 1.193 177.476 176.600 -0.530 0.000 1.050 277 K CA 0.981 56.881 56.287 -0.644 0.000 0.942 277 K CB -0.003 31.880 32.500 -1.028 0.000 0.724 277 K HN 0.512 nan 8.250 nan 0.000 0.446 278 Y N 0.131 120.464 120.300 0.055 0.000 2.485 278 Y HA 0.176 4.721 4.550 -0.007 0.000 0.260 278 Y C 0.011 175.964 175.900 0.088 0.000 1.173 278 Y CA -0.481 57.653 58.100 0.056 0.000 1.252 278 Y CB 0.160 38.643 38.460 0.039 0.000 1.123 278 Y HN 0.123 nan 8.280 nan 0.000 0.524 279 N N 1.700 120.534 118.700 0.223 0.000 2.671 279 N HA -0.230 4.506 4.740 -0.007 0.000 0.261 279 N C -0.319 175.282 175.510 0.151 0.000 1.053 279 N CA 0.509 53.683 53.050 0.207 0.000 0.732 279 N CB -1.216 37.366 38.487 0.160 0.000 0.887 279 N HN 0.339 nan 8.380 nan 0.000 0.546 280 N N -0.125 118.662 118.700 0.145 0.000 2.336 280 N HA 0.143 4.878 4.740 -0.007 0.000 0.189 280 N C -0.643 174.522 175.510 -0.575 0.000 1.113 280 N CA 0.614 53.535 53.050 -0.215 0.000 0.858 280 N CB 0.146 38.432 38.487 -0.336 0.000 0.970 280 N HN 0.350 nan 8.380 nan 0.000 0.471 281 F N -0.723 119.270 119.950 0.071 0.000 2.599 281 F HA 0.217 4.739 4.527 -0.008 0.000 0.311 281 F C 1.474 177.330 175.800 0.092 0.000 1.076 281 F CA -1.163 56.877 58.000 0.067 0.000 0.937 281 F CB 1.153 40.189 39.000 0.060 0.000 1.282 281 F HN -0.221 nan 8.300 nan 0.000 0.460 282 S N -0.762 115.094 115.700 0.260 0.000 2.447 282 S HA -0.050 4.416 4.470 -0.007 0.000 0.233 282 S C 0.758 175.485 174.600 0.212 0.000 1.006 282 S CA 0.510 58.822 58.200 0.186 0.000 0.957 282 S CB -0.783 62.498 63.200 0.135 0.000 0.773 282 S HN 0.621 nan 8.310 nan 0.000 0.507 283 S N 1.137 117.008 115.700 0.284 0.000 2.600 283 S HA 0.291 4.757 4.470 -0.007 0.000 0.265 283 S C -0.344 174.448 174.600 0.321 0.000 1.325 283 S CA -0.800 57.582 58.200 0.303 0.000 1.002 283 S CB 0.256 63.722 63.200 0.444 0.000 0.921 283 S HN 0.492 nan 8.310 nan 0.000 0.554 284 Q N 0.755 120.729 119.800 0.290 0.000 2.340 284 Q HA 0.485 4.821 4.340 -0.007 0.000 0.259 284 Q C 0.351 176.591 176.000 0.400 0.000 0.964 284 Q CA -0.521 55.441 55.803 0.265 0.000 0.900 284 Q CB 1.694 30.512 28.738 0.133 0.000 1.228 284 Q HN 0.883 nan 8.270 nan 0.000 0.449 285 G N 0.722 109.761 108.800 0.398 0.000 2.528 285 G HA2 0.368 4.324 3.960 -0.007 0.000 0.289 285 G HA3 0.368 4.324 3.960 -0.007 0.000 0.289 285 G C 0.816 175.933 174.900 0.362 0.000 1.192 285 G CA 0.009 45.386 45.100 0.461 0.000 0.921 285 G HN 0.687 nan 8.290 nan 0.000 0.512 286 A N -0.214 122.856 122.820 0.416 0.000 1.927 286 A HA -0.203 4.112 4.320 -0.007 0.000 0.220 286 A C 2.052 179.864 177.584 0.380 0.000 1.185 286 A CA 2.187 54.519 52.037 0.493 0.000 0.639 286 A CB -0.875 18.522 19.000 0.660 0.000 0.820 286 A HN 0.827 nan 8.150 nan 0.000 0.451 287 Y N 0.447 120.594 120.300 -0.256 0.000 2.242 287 Y HA -0.144 4.401 4.550 -0.007 0.000 0.291 287 Y C 2.249 178.127 175.900 -0.036 0.000 1.137 287 Y CA 2.131 59.999 58.100 -0.388 0.000 1.181 287 Y CB -0.120 37.781 38.460 -0.933 0.000 0.989 287 Y HN 0.491 nan 8.280 nan 0.000 0.527 288 E N -0.760 119.541 120.200 0.170 0.000 2.112 288 E HA -0.034 4.312 4.350 -0.007 0.000 0.190 288 E C 0.329 177.113 176.600 0.307 0.000 0.979 288 E CA 0.926 57.437 56.400 0.185 0.000 0.814 288 E CB 0.136 29.952 29.700 0.193 0.000 0.762 288 E HN 0.123 nan 8.360 nan 0.000 0.460 289 S N -0.909 114.946 115.700 0.258 0.000 2.546 289 S HA 0.122 4.587 4.470 -0.007 0.000 0.272 289 S C -0.218 174.153 174.600 -0.383 0.000 1.140 289 S CA -0.695 57.498 58.200 -0.013 0.000 0.920 289 S CB 1.483 64.656 63.200 -0.045 0.000 1.083 289 S HN 0.024 nan 8.310 nan 0.000 0.476 290 Q N 2.018 121.198 119.800 -1.033 0.000 2.482 290 Q HA 0.083 4.418 4.340 -0.007 0.000 0.209 290 Q C 0.874 176.278 176.000 -0.993 0.000 0.961 290 Q CA 0.491 55.312 55.803 -1.638 0.000 0.945 290 Q CB 0.077 27.750 28.738 -1.775 0.000 1.012 290 Q HN 0.566 nan 8.270 nan 0.000 0.515 291 S N 0.152 115.535 115.700 -0.529 0.000 2.511 291 S HA 0.014 4.479 4.470 -0.007 0.000 0.214 291 S C 0.686 175.163 174.600 -0.206 0.000 0.997 291 S CA -0.267 57.740 58.200 -0.321 0.000 0.908 291 S CB 0.469 63.524 63.200 -0.242 0.000 0.803 291 S HN 0.270 nan 8.310 nan 0.000 0.504 292 S N 3.543 119.163 115.700 -0.133 0.000 2.599 292 S HA 0.007 4.472 4.470 -0.007 0.000 0.303 292 S C -1.243 173.258 174.600 -0.166 0.000 1.267 292 S CA -0.866 57.297 58.200 -0.061 0.000 1.055 292 S CB 0.677 63.981 63.200 0.172 0.000 0.790 292 S HN 0.181 nan 8.310 nan 0.000 0.500 293 P HA -0.022 nan 4.420 nan 0.000 0.228 293 P C 0.375 177.280 177.300 -0.657 0.000 1.151 293 P CA 1.044 63.771 63.100 -0.622 0.000 0.770 293 P CB 0.029 31.158 31.700 -0.951 0.000 0.786 294 W N -2.483 118.688 121.300 -0.215 0.000 2.991 294 W HA 0.203 4.859 4.660 -0.007 0.000 0.391 294 W C 1.514 177.974 176.519 -0.098 0.000 1.054 294 W CA -0.742 56.258 57.345 -0.576 0.000 1.856 294 W CB -1.094 27.949 29.460 -0.695 0.000 1.132 294 W HN -0.052 nan 8.180 nan 0.000 0.601 295 Y N 2.825 123.198 120.300 0.121 0.000 2.139 295 Y HA -0.271 4.274 4.550 -0.007 0.000 0.282 295 Y C 1.773 177.872 175.900 0.332 0.000 1.179 295 Y CA 1.974 60.216 58.100 0.236 0.000 1.161 295 Y CB -0.459 38.029 38.460 0.046 0.000 0.970 295 Y HN -0.195 nan 8.280 nan 0.000 0.511 296 N N -0.823 118.001 118.700 0.206 0.000 2.449 296 N HA -0.097 4.638 4.740 -0.007 0.000 0.191 296 N C 0.918 176.515 175.510 0.145 0.000 1.161 296 N CA 0.558 53.684 53.050 0.127 0.000 0.863 296 N CB -0.399 38.170 38.487 0.136 0.000 0.980 296 N HN 0.577 nan 8.380 nan 0.000 0.458 297 Y N -0.834 119.382 120.300 -0.140 0.000 2.561 297 Y HA -0.022 4.523 4.550 -0.008 0.000 0.291 297 Y C 0.159 175.661 175.900 -0.663 0.000 1.141 297 Y CA 0.158 57.977 58.100 -0.469 0.000 1.303 297 Y CB 0.270 38.335 38.460 -0.659 0.000 1.015 297 Y HN -0.011 nan 8.280 nan 0.000 0.547 298 Y N -1.408 118.932 120.300 0.067 0.000 2.662 298 Y HA 0.424 4.969 4.550 -0.008 0.000 0.335 298 Y C -0.044 175.727 175.900 -0.215 0.000 1.066 298 Y CA -1.475 56.572 58.100 -0.088 0.000 1.116 298 Y CB 1.410 39.796 38.460 -0.123 0.000 1.308 298 Y HN -0.457 nan 8.280 nan 0.000 0.502 299 T N 2.183 116.658 114.554 -0.132 0.000 2.809 299 T HA 0.527 4.872 4.350 -0.007 0.000 0.284 299 T C -1.343 173.122 174.700 -0.392 0.000 0.992 299 T CA -0.559 61.422 62.100 -0.199 0.000 0.957 299 T CB -0.106 68.666 68.868 -0.160 0.000 0.942 299 T HN 0.239 nan 8.240 nan 0.000 0.439 300 F N 1.989 121.901 119.950 -0.062 0.000 2.458 300 F HA 0.438 4.961 4.527 -0.007 0.000 0.336 300 F C 0.445 176.218 175.800 -0.045 0.000 1.114 300 F CA -0.890 57.142 58.000 0.054 0.000 0.987 300 F CB 1.201 40.397 39.000 0.326 0.000 1.130 300 F HN 0.581 nan 8.300 nan 0.000 0.458 301 Y N 0.108 120.657 120.300 0.415 0.000 2.301 301 Y HA 0.124 4.669 4.550 -0.007 0.000 0.295 301 Y C 0.974 177.043 175.900 0.281 0.000 1.119 301 Y CA 0.307 58.572 58.100 0.275 0.000 1.162 301 Y CB 0.070 38.641 38.460 0.184 0.000 1.046 301 Y HN 0.311 nan 8.280 nan 0.000 0.538 302 T N 0.100 114.928 114.554 0.458 0.000 3.089 302 T HA 0.082 4.428 4.350 -0.007 0.000 0.340 302 T C -1.380 173.536 174.700 0.361 0.000 1.008 302 T CA -0.604 61.702 62.100 0.343 0.000 1.096 302 T CB 0.010 69.022 68.868 0.240 0.000 1.024 302 T HN 0.174 nan 8.240 nan 0.000 0.477 303 W N 6.828 128.223 121.300 0.158 0.000 2.295 303 W HA 0.298 4.953 4.660 -0.008 0.000 0.335 303 W C -1.541 174.927 176.519 -0.085 0.000 1.351 303 W CA -0.973 56.336 57.345 -0.059 0.000 1.273 303 W CB 0.916 30.227 29.460 -0.248 0.000 1.214 303 W HN 0.387 nan 8.180 nan 0.000 0.563 304 P HA 0.065 nan 4.420 nan 0.000 0.289 304 P C 0.468 177.766 177.300 -0.003 0.000 1.303 304 P CA 0.419 62.767 63.100 -1.254 0.000 0.946 304 P CB 0.835 31.021 31.700 -2.523 0.000 1.454 305 D N 0.266 120.704 120.400 0.063 0.000 2.183 305 D HA -0.029 4.607 4.640 -0.007 0.000 0.203 305 D C 0.596 177.079 176.300 0.305 0.000 0.969 305 D CA 1.098 55.286 54.000 0.313 0.000 0.842 305 D CB 0.159 41.037 40.800 0.130 0.000 0.957 305 D HN 0.131 nan 8.370 nan 0.000 0.484 306 S N -0.282 115.612 115.700 0.324 0.000 2.456 306 S HA 0.458 4.923 4.470 -0.007 0.000 0.316 306 S C -1.190 173.649 174.600 0.398 0.000 1.089 306 S CA -0.762 57.566 58.200 0.214 0.000 1.101 306 S CB 0.041 63.391 63.200 0.249 0.000 0.995 306 S HN 0.152 nan 8.310 nan 0.000 0.468 307 Y N 1.244 121.726 120.300 0.303 0.000 2.609 307 Y HA 0.772 5.317 4.550 -0.007 0.000 0.336 307 Y C -0.345 175.594 175.900 0.064 0.000 1.129 307 Y CA -1.555 56.565 58.100 0.032 0.000 1.040 307 Y CB 0.432 38.820 38.460 -0.121 0.000 1.310 307 Y HN 0.608 nan 8.280 nan 0.000 0.460 308 A N 1.830 124.693 122.820 0.073 0.000 2.498 308 A HA 0.607 4.923 4.320 -0.007 0.000 0.239 308 A C 0.257 178.001 177.584 0.266 0.000 1.068 308 A CA 0.702 52.875 52.037 0.226 0.000 0.766 308 A CB -0.507 18.578 19.000 0.141 0.000 1.003 308 A HN 1.462 nan 8.150 nan 0.000 0.497 309 S N 0.834 116.661 115.700 0.211 0.000 2.752 309 S HA 0.637 5.103 4.470 -0.007 0.000 0.284 309 S C -0.692 174.000 174.600 0.152 0.000 1.189 309 S CA -0.623 57.701 58.200 0.207 0.000 0.835 309 S CB 0.584 63.895 63.200 0.185 0.000 1.192 309 S HN 1.257 nan 8.310 nan 0.000 0.506 310 F N 2.267 122.209 119.950 -0.013 0.000 2.413 310 F HA 0.548 5.071 4.527 -0.007 0.000 0.359 310 F C 0.256 176.053 175.800 -0.004 0.000 1.122 310 F CA -0.637 57.300 58.000 -0.106 0.000 1.160 310 F CB -0.138 38.610 39.000 -0.421 0.000 1.146 310 F HN 0.532 nan 8.300 nan 0.000 0.514 311 L N 6.152 126.870 121.223 -0.841 0.000 3.737 311 L HA -0.226 4.109 4.340 -0.007 0.000 0.418 311 L C 1.289 177.836 176.870 -0.537 0.000 1.216 311 L CA 1.286 55.685 54.840 -0.736 0.000 0.915 311 L CB -1.801 39.665 42.059 -0.989 0.000 1.834 311 L HN 1.128 nan 8.230 nan 0.000 0.943 312 G N -2.997 105.601 108.800 -0.337 0.000 2.234 312 G HA2 -0.358 3.597 3.960 -0.007 0.000 0.260 312 G HA3 -0.358 3.597 3.960 -0.007 0.000 0.260 312 G C 0.293 175.012 174.900 -0.302 0.000 0.987 312 G CA 0.075 44.980 45.100 -0.325 0.000 0.625 312 G HN 0.340 nan 8.290 nan 0.000 0.532 313 F N 1.981 121.901 119.950 -0.050 0.000 2.502 313 F HA 0.300 4.823 4.527 -0.007 0.000 0.371 313 F C 1.531 177.372 175.800 0.069 0.000 1.083 313 F CA 0.306 58.326 58.000 0.033 0.000 1.174 313 F CB 0.271 39.325 39.000 0.091 0.000 1.096 313 F HN 0.108 nan 8.300 nan 0.000 0.545 314 N N 0.824 119.652 118.700 0.213 0.000 2.364 314 N HA -0.167 4.569 4.740 -0.007 0.000 0.183 314 N C 1.787 177.498 175.510 0.336 0.000 1.022 314 N CA 0.927 54.110 53.050 0.222 0.000 0.883 314 N CB 0.049 38.627 38.487 0.152 0.000 0.965 314 N HN 0.578 nan 8.380 nan 0.000 0.438 315 S N 0.209 116.107 115.700 0.330 0.000 2.515 315 S HA 0.023 4.488 4.470 -0.007 0.000 0.231 315 S C 0.790 175.526 174.600 0.226 0.000 0.987 315 S CA 0.446 58.841 58.200 0.324 0.000 0.936 315 S CB -0.059 63.380 63.200 0.398 0.000 0.766 315 S HN 0.187 nan 8.310 nan 0.000 0.528 316 L N 3.039 124.388 121.223 0.209 0.000 2.709 316 L HA 0.416 4.752 4.340 -0.007 0.000 0.236 316 L C -2.651 174.300 176.870 0.135 0.000 1.266 316 L CA -2.223 52.697 54.840 0.134 0.000 0.987 316 L CB 0.870 42.902 42.059 -0.044 0.000 1.306 316 L HN -0.000 nan 8.230 nan 0.000 0.467 317 P HA -0.050 nan 4.420 nan 0.000 0.265 317 P C -0.602 176.851 177.300 0.255 0.000 1.193 317 P CA -0.017 63.040 63.100 -0.072 0.000 0.765 317 P CB 1.051 32.090 31.700 -1.102 0.000 0.823 318 K N 3.700 124.281 120.400 0.302 0.000 2.276 318 K HA 0.260 4.575 4.320 -0.007 0.000 0.283 318 K C -0.040 176.713 176.600 0.255 0.000 1.044 318 K CA -0.620 55.871 56.287 0.340 0.000 0.944 318 K CB 0.199 32.880 32.500 0.301 0.000 1.012 318 K HN 0.448 nan 8.250 nan 0.000 0.472 319 L N 3.541 124.878 121.223 0.189 0.000 2.380 319 L HA 0.079 4.414 4.340 -0.007 0.000 0.273 319 L C 0.296 177.138 176.870 -0.047 0.000 1.138 319 L CA -0.414 54.368 54.840 -0.096 0.000 0.832 319 L CB 0.505 42.465 42.059 -0.165 0.000 1.124 319 L HN 0.667 nan 8.230 nan 0.000 0.454 320 N N 1.732 120.306 118.700 -0.210 0.000 2.500 320 N HA 0.093 4.829 4.740 -0.007 0.000 0.236 320 N C 0.146 175.526 175.510 -0.217 0.000 1.022 320 N CA -0.099 52.892 53.050 -0.098 0.000 0.935 320 N CB 0.411 38.849 38.487 -0.080 0.000 1.147 320 N HN 0.351 nan 8.380 nan 0.000 0.512 321 Y N 3.013 123.242 120.300 -0.118 0.000 2.616 321 Y HA 0.105 4.651 4.550 -0.008 0.000 0.296 321 Y C 2.016 177.846 175.900 -0.116 0.000 1.154 321 Y CA 0.767 58.783 58.100 -0.140 0.000 1.325 321 Y CB -0.285 38.113 38.460 -0.103 0.000 1.007 321 Y HN 0.792 nan 8.280 nan 0.000 0.542 322 G N 0.897 109.708 108.800 0.019 0.000 2.602 322 G HA2 -0.392 3.564 3.960 -0.007 0.000 0.317 322 G HA3 -0.392 3.564 3.960 -0.007 0.000 0.317 322 G C -0.233 174.684 174.900 0.028 0.000 1.327 322 G CA 0.471 45.574 45.100 0.005 0.000 0.971 322 G HN 0.428 nan 8.290 nan 0.000 0.540 323 N N -0.155 118.549 118.700 0.007 0.000 2.502 323 N HA 0.581 5.316 4.740 -0.007 0.000 0.280 323 N C 0.129 175.645 175.510 0.009 0.000 1.223 323 N CA -0.010 53.050 53.050 0.016 0.000 0.966 323 N CB 1.075 39.569 38.487 0.011 0.000 1.203 323 N HN 0.668 nan 8.380 nan 0.000 0.565 324 S N -0.233 115.480 115.700 0.022 0.000 2.558 324 S HA 0.298 4.764 4.470 -0.007 0.000 0.291 324 S C 1.343 175.936 174.600 -0.011 0.000 1.306 324 S CA 0.854 59.067 58.200 0.023 0.000 1.056 324 S CB -0.119 63.101 63.200 0.033 0.000 0.836 324 S HN 0.881 nan 8.310 nan 0.000 0.504 325 G N 1.859 110.637 108.800 -0.037 0.000 2.159 325 G HA2 -0.299 3.657 3.960 -0.007 0.000 0.256 325 G HA3 -0.299 3.657 3.960 -0.007 0.000 0.256 325 G C 0.233 175.075 174.900 -0.095 0.000 0.977 325 G CA 0.208 45.271 45.100 -0.063 0.000 0.652 325 G HN 1.258 nan 8.290 nan 0.000 0.531 326 S N -0.202 115.428 115.700 -0.117 0.000 2.593 326 S HA 0.699 5.164 4.470 -0.007 0.000 0.269 326 S C 1.833 176.288 174.600 -0.242 0.000 1.334 326 S CA 0.509 58.614 58.200 -0.158 0.000 1.015 326 S CB 1.699 64.799 63.200 -0.165 0.000 0.912 326 S HN 1.722 nan 8.310 nan 0.000 0.541 327 A N 2.136 124.805 122.820 -0.250 0.000 1.908 327 A HA -0.032 4.284 4.320 -0.007 0.000 0.218 327 A C 2.194 179.443 177.584 -0.558 0.000 1.181 327 A CA 1.812 53.668 52.037 -0.301 0.000 0.627 327 A CB -1.396 17.504 19.000 -0.168 0.000 0.818 327 A HN 0.851 nan 8.150 nan 0.000 0.445 328 V N 0.132 119.571 119.914 -0.792 0.000 2.295 328 V HA -0.288 3.827 4.120 -0.007 0.000 0.246 328 V C 2.608 178.249 176.094 -0.755 0.000 1.049 328 V CA 2.303 63.993 62.300 -1.018 0.000 1.024 328 V CB -0.829 30.323 31.823 -1.120 0.000 0.648 328 V HN 0.549 nan 8.190 nan 0.000 0.447 329 R N 0.085 120.240 120.500 -0.575 0.000 2.152 329 R HA -0.074 4.261 4.340 -0.007 0.000 0.232 329 R C 2.386 178.203 176.300 -0.805 0.000 1.117 329 R CA 1.216 56.934 56.100 -0.637 0.000 0.981 329 R CB -0.640 29.404 30.300 -0.428 0.000 0.870 329 R HN 0.606 nan 8.270 nan 0.000 0.451 330 G N 0.881 109.369 108.800 -0.519 0.000 2.394 330 G HA2 -0.193 3.763 3.960 -0.007 0.000 0.214 330 G HA3 -0.193 3.763 3.960 -0.007 0.000 0.214 330 G C 1.509 176.220 174.900 -0.315 0.000 1.176 330 G CA 0.901 45.775 45.100 -0.377 0.000 0.786 330 G HN 0.284 nan 8.290 nan 0.000 0.533 331 V N -1.006 118.719 119.914 -0.315 0.000 2.667 331 V HA 0.028 4.144 4.120 -0.007 0.000 0.252 331 V C 2.428 178.394 176.094 -0.214 0.000 1.065 331 V CA 0.837 63.032 62.300 -0.175 0.000 1.083 331 V CB -0.394 31.375 31.823 -0.089 0.000 0.692 331 V HN 0.201 nan 8.190 nan 0.000 0.468 332 I N 0.581 120.938 120.570 -0.354 0.000 2.429 332 I HA 0.048 4.213 4.170 -0.007 0.000 0.247 332 I C 2.370 178.314 176.117 -0.288 0.000 1.099 332 I CA 2.291 63.344 61.300 -0.411 0.000 1.422 332 I CB -0.796 37.020 38.000 -0.307 0.000 1.112 332 I HN 0.680 nan 8.210 nan 0.000 0.430 333 Y N -2.311 117.863 120.300 -0.209 0.000 2.449 333 Y HA 0.387 4.933 4.550 -0.008 0.000 0.278 333 Y C 1.684 177.527 175.900 -0.096 0.000 1.066 333 Y CA -0.415 57.596 58.100 -0.147 0.000 1.166 333 Y CB -0.830 37.611 38.460 -0.032 0.000 1.346 333 Y HN -0.161 nan 8.280 nan 0.000 0.562 334 N N 1.340 119.782 118.700 -0.430 0.000 2.109 334 N HA -0.050 4.686 4.740 -0.007 0.000 0.188 334 N C -0.255 175.192 175.510 -0.106 0.000 1.034 334 N CA 0.935 53.861 53.050 -0.208 0.000 0.846 334 N CB -0.460 37.849 38.487 -0.296 0.000 1.010 334 N HN 0.311 nan 8.380 nan 0.000 0.425 335 N N 0.546 119.169 118.700 -0.129 0.000 2.441 335 N HA -0.062 4.673 4.740 -0.007 0.000 0.251 335 N C 1.028 176.526 175.510 -0.020 0.000 1.242 335 N CA 0.183 53.196 53.050 -0.062 0.000 0.898 335 N CB 0.786 39.239 38.487 -0.055 0.000 1.100 335 N HN 0.017 nan 8.380 nan 0.000 0.443 336 S N 0.837 116.539 115.700 0.002 0.000 2.447 336 S HA -0.119 4.346 4.470 -0.007 0.000 0.233 336 S C 0.942 175.561 174.600 0.032 0.000 1.006 336 S CA 0.844 59.059 58.200 0.024 0.000 0.957 336 S CB -0.227 62.988 63.200 0.025 0.000 0.773 336 S HN 0.693 nan 8.310 nan 0.000 0.507 337 N N 1.162 119.876 118.700 0.024 0.000 2.321 337 N HA 0.091 4.826 4.740 -0.007 0.000 0.242 337 N C 0.025 175.553 175.510 0.029 0.000 1.141 337 N CA 0.095 53.164 53.050 0.031 0.000 0.864 337 N CB -0.182 38.327 38.487 0.037 0.000 1.100 337 N HN 0.353 nan 8.380 nan 0.000 0.510 338 S N -1.101 114.607 115.700 0.014 0.000 2.634 338 S HA 0.265 4.730 4.470 -0.007 0.000 0.261 338 S C 1.512 176.128 174.600 0.027 0.000 1.271 338 S CA -0.579 57.612 58.200 -0.016 0.000 0.985 338 S CB 0.906 64.059 63.200 -0.078 0.000 0.968 338 S HN -0.112 nan 8.310 nan 0.000 0.568 339 V N 1.452 121.345 119.914 -0.035 0.000 2.261 339 V HA -0.163 3.952 4.120 -0.007 0.000 0.246 339 V C 3.032 179.304 176.094 0.295 0.000 1.047 339 V CA 2.336 64.686 62.300 0.082 0.000 1.015 339 V CB -1.948 29.754 31.823 -0.202 0.000 0.642 339 V HN 1.012 nan 8.190 nan 0.000 0.446 340 A N -0.169 122.642 122.820 -0.015 0.000 1.883 340 A HA -0.251 4.065 4.320 -0.007 0.000 0.217 340 A C 2.319 180.196 177.584 0.488 0.000 1.186 340 A CA 2.196 54.310 52.037 0.129 0.000 0.624 340 A CB -0.439 18.464 19.000 -0.161 0.000 0.822 340 A HN 0.565 nan 8.150 nan 0.000 0.444 341 K N -1.263 119.288 120.400 0.251 0.000 2.167 341 K HA -0.022 4.294 4.320 -0.007 0.000 0.203 341 K C 2.102 178.838 176.600 0.227 0.000 1.052 341 K CA 1.280 57.701 56.287 0.224 0.000 0.956 341 K CB -0.300 32.269 32.500 0.115 0.000 0.735 341 K HN 0.438 nan 8.250 nan 0.000 0.451 342 T N 0.769 115.432 114.554 0.180 0.000 2.635 342 T HA -0.188 4.158 4.350 -0.007 0.000 0.267 342 T C 1.546 176.260 174.700 0.024 0.000 1.040 342 T CA 1.604 63.727 62.100 0.038 0.000 1.156 342 T CB -0.363 68.412 68.868 -0.155 0.000 0.863 342 T HN 0.235 nan 8.240 nan 0.000 0.430 343 Y N 0.542 121.006 120.300 0.273 0.000 2.516 343 Y HA 0.223 4.768 4.550 -0.008 0.000 0.291 343 Y C 2.057 178.097 175.900 0.234 0.000 1.131 343 Y CA 0.250 58.463 58.100 0.189 0.000 1.281 343 Y CB -0.324 38.199 38.460 0.106 0.000 1.013 343 Y HN 0.151 nan 8.280 nan 0.000 0.554 344 L N -0.539 120.912 121.223 0.380 0.000 2.341 344 L HA -0.037 4.299 4.340 -0.007 0.000 0.214 344 L C 0.335 177.335 176.870 0.217 0.000 1.115 344 L CA 0.559 55.568 54.840 0.280 0.000 0.820 344 L CB -0.277 41.966 42.059 0.306 0.000 0.944 344 L HN 0.173 nan 8.230 nan 0.000 0.452 345 N N -0.647 118.178 118.700 0.209 0.000 2.482 345 N HA 0.249 4.985 4.740 -0.007 0.000 0.279 345 N C -2.456 173.137 175.510 0.139 0.000 1.182 345 N CA -1.633 51.505 53.050 0.147 0.000 0.969 345 N CB 1.111 39.667 38.487 0.115 0.000 1.201 345 N HN -0.223 nan 8.380 nan 0.000 0.523 346 P HA 0.031 nan 4.420 nan 0.000 0.269 346 P C -2.129 175.131 177.300 -0.066 0.000 1.215 346 P CA -0.662 62.439 63.100 0.002 0.000 0.780 346 P CB 0.241 31.937 31.700 -0.007 0.000 0.898 347 P HA 0.078 nan 4.420 nan 0.000 0.249 347 P C -0.221 176.839 177.300 -0.401 0.000 1.544 347 P CA 0.574 63.488 63.100 -0.310 0.000 0.932 347 P CB -0.048 31.437 31.700 -0.359 0.000 1.524 348 Y N -0.247 120.075 120.300 0.036 0.000 2.447 348 Y HA 0.088 4.633 4.550 -0.007 0.000 0.286 348 Y C 1.561 177.513 175.900 0.087 0.000 1.153 348 Y CA 0.257 58.398 58.100 0.069 0.000 1.241 348 Y CB -0.434 38.100 38.460 0.123 0.000 1.284 348 Y HN -0.216 nan 8.280 nan 0.000 0.520 349 S N 0.603 116.467 115.700 0.273 0.000 3.631 349 S HA -0.135 4.331 4.470 -0.007 0.000 0.366 349 S C 0.020 174.765 174.600 0.241 0.000 0.993 349 S CA 0.085 58.418 58.200 0.223 0.000 1.167 349 S CB -2.402 60.914 63.200 0.194 0.000 0.909 349 S HN 0.384 nan 8.310 nan 0.000 0.478 350 V N -1.204 118.825 119.914 0.192 0.000 3.376 350 V HA 0.296 4.411 4.120 -0.007 0.000 0.303 350 V C 1.006 177.151 176.094 0.085 0.000 1.100 350 V CA 0.314 62.668 62.300 0.089 0.000 1.126 350 V CB 0.644 32.425 31.823 -0.070 0.000 1.085 350 V HN 0.336 nan 8.190 nan 0.000 0.480 351 D N 0.786 121.224 120.400 0.063 0.000 2.369 351 D HA 0.509 5.144 4.640 -0.007 0.000 0.211 351 D C 0.541 176.975 176.300 0.223 0.000 1.077 351 D CA 1.075 55.132 54.000 0.095 0.000 0.842 351 D CB 0.637 41.385 40.800 -0.086 0.000 0.947 351 D HN 1.173 nan 8.370 nan 0.000 0.509 352 G N -0.299 108.550 108.800 0.081 0.000 2.316 352 G HA2 0.346 4.301 3.960 -0.007 0.000 0.296 352 G HA3 0.346 4.301 3.960 -0.007 0.000 0.296 352 G C -2.131 172.744 174.900 -0.042 0.000 1.399 352 G CA -1.194 43.989 45.100 0.139 0.000 0.833 352 G HN 0.036 nan 8.290 nan 0.000 0.565 353 W N 0.221 121.632 121.300 0.184 0.000 2.819 353 W HA 0.722 5.379 4.660 -0.006 0.000 0.337 353 W C 0.177 176.668 176.519 -0.047 0.000 1.077 353 W CA -0.945 56.488 57.345 0.147 0.000 1.226 353 W CB 2.137 31.817 29.460 0.367 0.000 1.419 353 W HN 0.450 nan 8.180 nan 0.000 0.502 354 R N 4.218 124.792 120.500 0.123 0.000 2.215 354 R HA 0.366 4.702 4.340 -0.007 0.000 0.336 354 R C -1.011 175.171 176.300 -0.196 0.000 0.996 354 R CA -0.443 55.538 56.100 -0.199 0.000 0.847 354 R CB 0.386 30.415 30.300 -0.451 0.000 1.127 354 R HN 0.746 nan 8.270 nan 0.000 0.465 355 L N 4.744 125.708 121.223 -0.431 0.000 2.454 355 L HA 0.154 4.490 4.340 -0.007 0.000 0.284 355 L C 0.602 177.228 176.870 -0.406 0.000 1.139 355 L CA -0.385 54.120 54.840 -0.559 0.000 0.911 355 L CB -0.275 41.095 42.059 -1.148 0.000 1.262 355 L HN 0.529 nan 8.230 nan 0.000 0.453 356 N N 2.942 121.509 118.700 -0.222 0.000 2.492 356 N HA 0.207 4.942 4.740 -0.007 0.000 0.262 356 N C 0.982 176.499 175.510 0.012 0.000 1.202 356 N CA 0.755 53.768 53.050 -0.062 0.000 0.926 356 N CB 0.828 39.338 38.487 0.038 0.000 1.078 356 N HN 0.709 nan 8.380 nan 0.000 0.454 357 A N 2.210 125.101 122.820 0.118 0.000 2.750 357 A HA -0.278 4.037 4.320 -0.007 0.000 0.298 357 A C 1.823 179.636 177.584 0.383 0.000 1.500 357 A CA 1.496 53.760 52.037 0.378 0.000 0.891 357 A CB -2.295 16.959 19.000 0.422 0.000 0.972 357 A HN 1.051 nan 8.150 nan 0.000 0.531 358 A N -0.358 122.536 122.820 0.122 0.000 1.971 358 A HA -0.298 4.017 4.320 -0.007 0.000 0.222 358 A C 2.062 179.869 177.584 0.372 0.000 1.182 358 A CA 2.273 54.410 52.037 0.166 0.000 0.649 358 A CB -0.614 18.030 19.000 -0.593 0.000 0.818 358 A HN 1.409 nan 8.150 nan 0.000 0.458 359 Q N -2.061 117.783 119.800 0.073 0.000 2.291 359 Q HA -0.178 4.157 4.340 -0.007 0.000 0.205 359 Q C 1.535 177.555 176.000 0.033 0.000 0.970 359 Q CA 1.797 57.578 55.803 -0.035 0.000 0.876 359 Q CB -0.508 28.097 28.738 -0.222 0.000 0.935 359 Q HN 0.767 nan 8.270 nan 0.000 0.455 360 Y N 0.609 121.116 120.300 0.346 0.000 2.517 360 Y HA 0.178 4.723 4.550 -0.008 0.000 0.281 360 Y C 0.864 176.913 175.900 0.248 0.000 1.125 360 Y CA -0.474 57.811 58.100 0.309 0.000 1.283 360 Y CB 0.520 39.198 38.460 0.364 0.000 1.042 360 Y HN -0.138 nan 8.280 nan 0.000 0.547 361 V N 2.828 122.940 119.914 0.331 0.000 2.539 361 V HA -0.093 4.022 4.120 -0.007 0.000 0.300 361 V C 0.043 176.097 176.094 -0.066 0.000 1.019 361 V CA 0.862 63.184 62.300 0.037 0.000 1.160 361 V CB -0.133 31.512 31.823 -0.296 0.000 0.901 361 V HN 0.323 nan 8.190 nan 0.000 0.481 362 D N 2.687 123.092 120.400 0.007 0.000 2.946 362 D HA 0.734 5.370 4.640 -0.007 0.000 0.337 362 D C -0.732 175.660 176.300 0.153 0.000 1.332 362 D CA 0.150 54.178 54.000 0.046 0.000 0.935 362 D CB 2.122 42.995 40.800 0.122 0.000 1.440 362 D HN 0.609 nan 8.370 nan 0.000 0.540 363 A N -0.253 122.644 122.820 0.128 0.000 2.350 363 A HA 0.660 4.976 4.320 -0.007 0.000 0.318 363 A C 0.213 177.865 177.584 0.113 0.000 1.132 363 A CA 0.098 52.212 52.037 0.128 0.000 0.811 363 A CB 0.603 19.659 19.000 0.094 0.000 1.313 363 A HN 0.772 nan 8.150 nan 0.000 0.454 364 N N -0.518 118.236 118.700 0.090 0.000 2.732 364 N HA -0.278 4.458 4.740 -0.007 0.000 0.250 364 N C 0.883 176.465 175.510 0.121 0.000 1.097 364 N CA 1.436 54.541 53.050 0.092 0.000 0.812 364 N CB -0.820 37.726 38.487 0.098 0.000 1.148 364 N HN 2.060 nan 8.380 nan 0.000 0.572 365 G N -1.324 107.558 108.800 0.137 0.000 2.175 365 G HA2 -0.298 3.658 3.960 -0.007 0.000 0.244 365 G HA3 -0.298 3.658 3.960 -0.007 0.000 0.244 365 G C 0.117 175.149 174.900 0.220 0.000 0.982 365 G CA 0.196 45.404 45.100 0.181 0.000 0.641 365 G HN 0.408 nan 8.290 nan 0.000 0.527 366 N N 0.200 119.013 118.700 0.189 0.000 2.326 366 N HA 0.117 4.853 4.740 -0.007 0.000 0.239 366 N C 0.727 176.364 175.510 0.213 0.000 1.301 366 N CA -0.021 53.137 53.050 0.180 0.000 0.909 366 N CB 0.037 38.610 38.487 0.143 0.000 1.156 366 N HN 0.332 nan 8.380 nan 0.000 0.462 367 N N -0.195 118.634 118.700 0.217 0.000 2.295 367 N HA 0.087 4.822 4.740 -0.007 0.000 0.221 367 N C 0.802 176.483 175.510 0.284 0.000 1.129 367 N CA -0.097 53.136 53.050 0.305 0.000 0.836 367 N CB 0.178 38.852 38.487 0.311 0.000 1.040 367 N HN 0.674 nan 8.380 nan 0.000 0.494 368 G N 0.542 109.467 108.800 0.209 0.000 2.552 368 G HA2 -0.336 3.620 3.960 -0.007 0.000 0.265 368 G HA3 -0.336 3.620 3.960 -0.007 0.000 0.265 368 G C 0.196 175.189 174.900 0.155 0.000 1.234 368 G CA -0.073 45.128 45.100 0.168 0.000 0.944 368 G HN 0.245 nan 8.290 nan 0.000 0.568 369 S N -0.052 115.768 115.700 0.199 0.000 3.533 369 S HA -0.151 4.315 4.470 -0.007 0.000 0.347 369 S C 0.186 174.848 174.600 0.103 0.000 1.101 369 S CA 3.039 61.373 58.200 0.224 0.000 1.009 369 S CB -1.580 61.774 63.200 0.256 0.000 0.916 369 S HN 1.792 nan 8.310 nan 0.000 0.496 370 D N -2.514 117.923 120.400 0.062 0.000 2.781 370 D HA 0.625 5.261 4.640 -0.007 0.000 0.295 370 D C 1.086 177.458 176.300 0.120 0.000 1.143 370 D CA -0.517 53.530 54.000 0.079 0.000 1.076 370 D CB 0.036 40.875 40.800 0.066 0.000 1.444 370 D HN -0.087 nan 8.370 nan 0.000 0.567 371 V N -0.183 119.781 119.914 0.083 0.000 2.287 371 V HA -0.247 3.869 4.120 -0.007 0.000 0.248 371 V C 2.227 178.355 176.094 0.058 0.000 1.053 371 V CA 2.697 65.040 62.300 0.071 0.000 1.027 371 V CB -1.066 30.773 31.823 0.027 0.000 0.646 371 V HN 0.738 nan 8.190 nan 0.000 0.447 372 T N 0.187 114.760 114.554 0.032 0.000 2.684 372 T HA -0.242 4.104 4.350 -0.007 0.000 0.267 372 T C 1.931 176.605 174.700 -0.044 0.000 1.036 372 T CA 1.781 63.886 62.100 0.007 0.000 1.148 372 T CB -0.566 68.313 68.868 0.018 0.000 0.863 372 T HN 0.586 nan 8.240 nan 0.000 0.436 373 N N 0.765 119.430 118.700 -0.058 0.000 2.061 373 N HA -0.206 4.529 4.740 -0.007 0.000 0.193 373 N C 1.710 177.144 175.510 -0.127 0.000 1.030 373 N CA 1.733 54.708 53.050 -0.126 0.000 0.856 373 N CB -0.247 38.220 38.487 -0.033 0.000 1.023 373 N HN 0.567 nan 8.380 nan 0.000 0.424 374 H N 0.091 119.180 119.070 0.033 0.000 2.423 374 H HA 0.007 4.558 4.556 -0.008 0.000 0.297 374 H C 2.217 177.548 175.328 0.006 0.000 1.075 374 H CA 1.226 57.277 56.048 0.005 0.000 1.342 374 H CB 0.014 29.670 29.762 -0.177 0.000 1.395 374 H HN 0.323 nan 8.280 nan 0.000 0.530 375 Q N 0.898 120.742 119.800 0.073 0.000 2.084 375 Q HA -0.145 4.191 4.340 -0.007 0.000 0.202 375 Q C 2.165 178.171 176.000 0.011 0.000 0.978 375 Q CA 1.367 57.195 55.803 0.042 0.000 0.844 375 Q CB -0.024 28.730 28.738 0.028 0.000 0.898 375 Q HN 0.531 nan 8.270 nan 0.000 0.426 376 I N -0.689 119.821 120.570 -0.099 0.000 2.179 376 I HA -0.281 3.884 4.170 -0.007 0.000 0.242 376 I C 1.934 177.874 176.117 -0.294 0.000 1.088 376 I CA 1.395 62.545 61.300 -0.251 0.000 1.357 376 I CB -0.402 37.259 38.000 -0.563 0.000 1.051 376 I HN 0.306 nan 8.210 nan 0.000 0.409 377 W N 0.804 122.093 121.300 -0.018 0.000 2.425 377 W HA -0.183 4.472 4.660 -0.007 0.000 0.277 377 W C 2.918 179.518 176.519 0.134 0.000 1.231 377 W CA 0.866 58.261 57.345 0.084 0.000 1.248 377 W CB -0.300 29.297 29.460 0.228 0.000 1.117 377 W HN 0.198 nan 8.180 nan 0.000 0.568 378 S N -0.190 115.667 115.700 0.261 0.000 2.436 378 S HA -0.110 4.355 4.470 -0.007 0.000 0.228 378 S C 1.385 176.070 174.600 0.143 0.000 1.014 378 S CA 1.083 59.391 58.200 0.180 0.000 0.950 378 S CB -0.367 62.893 63.200 0.101 0.000 0.784 378 S HN 0.368 nan 8.310 nan 0.000 0.504 379 E N 0.323 120.584 120.200 0.101 0.000 2.112 379 E HA 0.028 4.374 4.350 -0.007 0.000 0.190 379 E C 1.654 178.279 176.600 0.041 0.000 0.979 379 E CA 0.789 57.257 56.400 0.113 0.000 0.814 379 E CB -0.299 29.531 29.700 0.217 0.000 0.762 379 E HN 0.605 nan 8.360 nan 0.000 0.460 380 F N 2.437 122.174 119.950 -0.355 0.000 2.126 380 F HA -0.219 4.304 4.527 -0.007 0.000 0.299 380 F C 2.444 178.262 175.800 0.029 0.000 1.096 380 F CA 1.640 59.395 58.000 -0.408 0.000 1.255 380 F CB 0.022 38.886 39.000 -0.227 0.000 0.997 380 F HN -0.196 nan 8.300 nan 0.000 0.479 381 R N 0.378 121.025 120.500 0.245 0.000 2.073 381 R HA -0.185 4.151 4.340 -0.007 0.000 0.234 381 R C 2.090 178.440 176.300 0.082 0.000 1.134 381 R CA 1.847 58.062 56.100 0.192 0.000 0.952 381 R CB -0.443 30.006 30.300 0.249 0.000 0.850 381 R HN 0.301 nan 8.270 nan 0.000 0.433 382 N N 0.723 119.475 118.700 0.086 0.000 2.104 382 N HA -0.184 4.551 4.740 -0.007 0.000 0.190 382 N C 1.649 177.190 175.510 0.051 0.000 1.024 382 N CA 1.554 54.649 53.050 0.074 0.000 0.853 382 N CB -0.454 38.082 38.487 0.082 0.000 1.008 382 N HN 0.322 nan 8.380 nan 0.000 0.424 383 A N 1.073 123.913 122.820 0.033 0.000 1.858 383 A HA -0.093 4.222 4.320 -0.007 0.000 0.216 383 A C 2.605 180.175 177.584 -0.023 0.000 1.190 383 A CA 1.585 53.637 52.037 0.024 0.000 0.617 383 A CB -0.932 18.116 19.000 0.079 0.000 0.827 383 A HN 0.096 nan 8.150 nan 0.000 0.443 384 V N 0.676 120.512 119.914 -0.130 0.000 2.237 384 V HA -0.237 3.879 4.120 -0.007 0.000 0.245 384 V C 2.427 178.553 176.094 0.054 0.000 1.046 384 V CA 2.192 64.458 62.300 -0.057 0.000 1.007 384 V CB -0.646 31.105 31.823 -0.120 0.000 0.638 384 V HN 0.444 nan 8.190 nan 0.000 0.445 385 K N 0.634 121.072 120.400 0.064 0.000 2.360 385 K HA -0.081 4.235 4.320 -0.007 0.000 0.201 385 K C 2.067 178.714 176.600 0.078 0.000 1.046 385 K CA 1.289 57.631 56.287 0.091 0.000 0.945 385 K CB -0.896 31.666 32.500 0.104 0.000 0.750 385 K HN 0.580 nan 8.250 nan 0.000 0.464 386 G N 0.615 109.453 108.800 0.065 0.000 2.421 386 G HA2 -0.121 3.835 3.960 -0.007 0.000 0.217 386 G HA3 -0.121 3.835 3.960 -0.007 0.000 0.217 386 G C 1.627 176.565 174.900 0.063 0.000 1.143 386 G CA 0.273 45.409 45.100 0.060 0.000 0.784 386 G HN 0.126 nan 8.290 nan 0.000 0.541 387 V N 0.480 120.437 119.914 0.072 0.000 2.446 387 V HA 0.086 4.202 4.120 -0.007 0.000 0.244 387 V C 0.656 176.804 176.094 0.091 0.000 1.039 387 V CA 1.340 63.689 62.300 0.083 0.000 1.045 387 V CB -0.153 31.732 31.823 0.103 0.000 0.681 387 V HN 0.447 nan 8.190 nan 0.000 0.459 388 N N -0.674 118.088 118.700 0.104 0.000 2.699 388 N HA 0.043 4.779 4.740 -0.007 0.000 0.271 388 N C 0.725 176.309 175.510 0.123 0.000 1.216 388 N CA 0.567 53.684 53.050 0.112 0.000 0.844 388 N CB 1.580 40.145 38.487 0.131 0.000 1.462 388 N HN 0.121 nan 8.380 nan 0.000 0.555 389 S N 1.879 117.642 115.700 0.105 0.000 2.493 389 S HA -0.039 4.426 4.470 -0.007 0.000 0.243 389 S C 0.711 175.384 174.600 0.122 0.000 0.991 389 S CA 0.659 58.921 58.200 0.103 0.000 0.957 389 S CB -0.093 63.156 63.200 0.080 0.000 0.756 389 S HN 0.526 nan 8.310 nan 0.000 0.521 390 N N 1.545 120.343 118.700 0.163 0.000 2.214 390 N HA 0.358 5.094 4.740 -0.007 0.000 0.214 390 N C -0.235 175.505 175.510 0.383 0.000 1.132 390 N CA 0.316 53.518 53.050 0.255 0.000 0.856 390 N CB 0.875 39.533 38.487 0.284 0.000 1.020 390 N HN 0.522 nan 8.380 nan 0.000 0.509 391 A N 0.734 123.720 122.820 0.277 0.000 2.309 391 A HA 0.663 4.978 4.320 -0.007 0.000 0.290 391 A C 0.483 178.236 177.584 0.282 0.000 1.206 391 A CA -0.516 51.708 52.037 0.312 0.000 0.850 391 A CB 0.351 19.500 19.000 0.247 0.000 1.118 391 A HN 0.208 nan 8.150 nan 0.000 0.523 392 A N 2.797 125.813 122.820 0.327 0.000 2.407 392 A HA 0.626 4.941 4.320 -0.007 0.000 0.248 392 A C -0.124 177.566 177.584 0.178 0.000 1.082 392 A CA -0.080 52.033 52.037 0.126 0.000 0.785 392 A CB 0.017 18.990 19.000 -0.045 0.000 1.020 392 A HN 0.792 nan 8.150 nan 0.000 0.489 393 I N 2.493 123.135 120.570 0.121 0.000 2.468 393 I HA 0.318 4.484 4.170 -0.007 0.000 0.284 393 I C -1.055 175.032 176.117 -0.050 0.000 1.038 393 I CA 0.084 61.471 61.300 0.145 0.000 1.083 393 I CB 1.334 39.509 38.000 0.292 0.000 1.223 393 I HN 0.460 nan 8.210 nan 0.000 0.443 394 I N 5.479 125.924 120.570 -0.208 0.000 2.411 394 I HA 0.442 4.608 4.170 -0.007 0.000 0.284 394 I C 0.571 176.289 176.117 -0.665 0.000 1.012 394 I CA -0.471 60.620 61.300 -0.349 0.000 1.119 394 I CB 1.866 39.690 38.000 -0.294 0.000 1.261 394 I HN 0.561 nan 8.210 nan 0.000 0.448 395 G N 4.339 112.484 108.800 -1.092 0.000 2.400 395 G HA2 0.302 4.258 3.960 -0.007 0.000 0.301 395 G HA3 0.302 4.258 3.960 -0.007 0.000 0.301 395 G C -0.751 173.604 174.900 -0.907 0.000 1.154 395 G CA -0.377 43.670 45.100 -1.755 0.000 0.852 395 G HN 0.624 nan 8.290 nan 0.000 0.511 396 Q N 0.448 119.865 119.800 -0.638 0.000 2.295 396 Q HA 0.410 4.745 4.340 -0.007 0.000 0.259 396 Q C -1.768 174.248 176.000 0.027 0.000 0.976 396 Q CA -0.432 55.248 55.803 -0.205 0.000 0.923 396 Q CB 0.648 29.341 28.738 -0.075 0.000 1.185 396 Q HN 0.532 nan 8.270 nan 0.000 0.410 397 Y N 3.532 123.835 120.300 0.004 0.000 2.480 397 Y HA 0.206 4.752 4.550 -0.008 0.000 0.329 397 Y C -1.376 174.697 175.900 0.288 0.000 1.127 397 Y CA -0.991 57.213 58.100 0.174 0.000 1.037 397 Y CB 0.972 39.523 38.460 0.151 0.000 1.320 397 Y HN 0.728 nan 8.280 nan 0.000 0.446 398 W N 2.573 123.631 121.300 -0.404 0.000 3.114 398 W HA 0.444 5.100 4.660 -0.007 0.000 0.279 398 W C 1.046 177.539 176.519 -0.043 0.000 1.277 398 W CA 0.584 57.800 57.345 -0.216 0.000 1.630 398 W CB 0.122 29.306 29.460 -0.460 0.000 1.087 398 W HN 0.701 nan 8.180 nan 0.000 0.637 399 G N 0.024 108.796 108.800 -0.047 0.000 3.099 399 G HA2 0.101 4.057 3.960 -0.007 0.000 0.151 399 G HA3 0.101 4.057 3.960 -0.007 0.000 0.151 399 G C -0.639 174.622 174.900 0.603 0.000 1.265 399 G CA -0.613 44.646 45.100 0.265 0.000 0.981 399 G HN -0.147 nan 8.290 nan 0.000 0.601 400 N N 0.989 120.038 118.700 0.581 0.000 2.405 400 N HA 0.336 5.071 4.740 -0.007 0.000 0.260 400 N C 0.590 176.406 175.510 0.511 0.000 1.152 400 N CA 0.102 53.402 53.050 0.417 0.000 0.948 400 N CB 1.249 39.832 38.487 0.160 0.000 1.111 400 N HN 0.437 nan 8.380 nan 0.000 0.485 401 A N 3.943 127.116 122.820 0.587 0.000 2.411 401 A HA 0.002 4.318 4.320 -0.007 0.000 0.251 401 A C 1.757 179.570 177.584 0.382 0.000 1.317 401 A CA -0.416 51.899 52.037 0.464 0.000 0.904 401 A CB -0.639 18.699 19.000 0.564 0.000 0.993 401 A HN 0.822 nan 8.150 nan 0.000 0.504 402 N N 1.800 120.581 118.700 0.134 0.000 2.104 402 N HA -0.128 4.608 4.740 -0.007 0.000 0.190 402 N C -0.865 174.564 175.510 -0.135 0.000 1.024 402 N CA 1.923 54.948 53.050 -0.042 0.000 0.853 402 N CB -0.523 37.863 38.487 -0.170 0.000 1.008 402 N HN 0.342 nan 8.380 nan 0.000 0.424 403 P HA -0.099 nan 4.420 nan 0.000 0.225 403 P C 0.731 177.588 177.300 -0.738 0.000 1.148 403 P CA 1.048 63.787 63.100 -0.602 0.000 0.779 403 P CB -0.382 30.809 31.700 -0.848 0.000 0.780 404 W N 0.501 121.530 121.300 -0.452 0.000 3.123 404 W HA 0.176 4.831 4.660 -0.007 0.000 0.383 404 W C 0.928 177.079 176.519 -0.613 0.000 1.102 404 W CA 0.705 57.577 57.345 -0.789 0.000 1.865 404 W CB 0.008 28.314 29.460 -1.924 0.000 1.111 404 W HN 0.165 nan 8.180 nan 0.000 0.621 405 T N -5.458 109.000 114.554 -0.161 0.000 3.151 405 T HA 0.176 4.522 4.350 -0.007 0.000 0.257 405 T C 1.625 176.224 174.700 -0.169 0.000 0.872 405 T CA 0.609 62.661 62.100 -0.080 0.000 0.873 405 T CB -0.281 68.661 68.868 0.123 0.000 1.272 405 T HN -0.175 nan 8.240 nan 0.000 0.543 406 A N 1.492 124.209 122.820 -0.172 0.000 2.225 406 A HA 0.080 4.396 4.320 -0.007 0.000 0.215 406 A C 1.944 179.432 177.584 -0.160 0.000 1.164 406 A CA 0.941 52.842 52.037 -0.228 0.000 0.710 406 A CB -0.655 18.255 19.000 -0.151 0.000 0.780 406 A HN 0.663 nan 8.150 nan 0.000 0.473 407 Q N -1.608 118.046 119.800 -0.243 0.000 2.194 407 Q HA 0.265 4.600 4.340 -0.007 0.000 0.214 407 Q C 0.932 176.685 176.000 -0.412 0.000 0.838 407 Q CA 0.145 55.816 55.803 -0.221 0.000 0.972 407 Q CB 0.453 29.085 28.738 -0.177 0.000 1.131 407 Q HN 0.737 nan 8.270 nan 0.000 0.498 408 G N 2.937 111.236 108.800 -0.836 0.000 2.321 408 G HA2 -0.336 3.619 3.960 -0.007 0.000 0.287 408 G HA3 -0.336 3.619 3.960 -0.007 0.000 0.287 408 G C 0.202 174.626 174.900 -0.793 0.000 1.018 408 G CA 1.151 45.184 45.100 -1.779 0.000 0.855 408 G HN 0.720 nan 8.290 nan 0.000 0.507 409 N N -2.374 116.079 118.700 -0.412 0.000 2.160 409 N HA 0.219 4.955 4.740 -0.007 0.000 0.226 409 N C 1.025 176.526 175.510 -0.015 0.000 1.256 409 N CA -0.052 52.913 53.050 -0.141 0.000 0.890 409 N CB 0.433 38.862 38.487 -0.095 0.000 1.116 409 N HN 0.514 nan 8.380 nan 0.000 0.517 410 Q N -0.363 119.420 119.800 -0.028 0.000 2.282 410 Q HA 0.277 4.613 4.340 -0.007 0.000 0.193 410 Q C -0.750 175.449 176.000 0.332 0.000 0.742 410 Q CA -0.572 55.315 55.803 0.139 0.000 0.560 410 Q CB 0.427 29.140 28.738 -0.043 0.000 2.766 410 Q HN 0.137 nan 8.270 nan 0.000 0.318 411 W N 1.783 123.135 121.300 0.087 0.000 2.283 411 W HA 0.251 4.906 4.660 -0.007 0.000 0.341 411 W C 0.560 177.153 176.519 0.123 0.000 1.206 411 W CA -0.726 56.650 57.345 0.051 0.000 1.294 411 W CB -0.023 29.394 29.460 -0.072 0.000 1.154 411 W HN 0.482 nan 8.180 nan 0.000 0.613 412 D N 0.289 120.886 120.400 0.328 0.000 2.183 412 D HA 0.217 4.853 4.640 -0.007 0.000 0.205 412 D C 0.676 177.041 176.300 0.109 0.000 0.962 412 D CA 1.115 55.244 54.000 0.215 0.000 0.849 412 D CB 0.630 41.450 40.800 0.033 0.000 0.978 412 D HN 0.269 nan 8.370 nan 0.000 0.488 413 A N -0.423 122.439 122.820 0.070 0.000 2.594 413 A HA 0.768 5.084 4.320 -0.007 0.000 0.307 413 A C -1.607 175.976 177.584 -0.000 0.000 1.203 413 A CA 0.045 52.054 52.037 -0.047 0.000 0.644 413 A CB 1.065 19.959 19.000 -0.175 0.000 1.349 413 A HN 0.129 nan 8.150 nan 0.000 0.510 414 A N -0.852 121.909 122.820 -0.098 0.000 2.602 414 A HA 0.766 5.082 4.320 -0.007 0.000 0.290 414 A C -0.146 177.374 177.584 -0.107 0.000 1.114 414 A CA 0.203 52.206 52.037 -0.056 0.000 0.683 414 A CB 0.361 19.481 19.000 0.200 0.000 1.281 414 A HN 2.174 nan 8.150 nan 0.000 0.416 415 T N -0.001 114.504 114.554 -0.083 0.000 2.793 415 T HA 0.146 4.491 4.350 -0.007 0.000 0.289 415 T C 0.197 174.820 174.700 -0.128 0.000 0.956 415 T CA -0.063 61.983 62.100 -0.090 0.000 1.177 415 T CB -0.178 68.659 68.868 -0.051 0.000 0.897 415 T HN 0.507 nan 8.240 nan 0.000 0.533 416 N N 2.619 121.140 118.700 -0.299 0.000 3.115 416 N HA 0.162 4.898 4.740 -0.007 0.000 0.305 416 N C 0.365 175.774 175.510 -0.169 0.000 1.305 416 N CA -0.846 52.105 53.050 -0.165 0.000 1.154 416 N CB -1.033 37.368 38.487 -0.144 0.000 1.454 416 N HN 0.685 nan 8.380 nan 0.000 0.551 417 F N -0.058 119.839 119.950 -0.088 0.000 2.046 417 F HA -0.178 4.345 4.527 -0.007 0.000 0.297 417 F C 2.174 178.135 175.800 0.268 0.000 1.123 417 F CA 1.340 59.353 58.000 0.021 0.000 1.199 417 F CB -0.198 38.831 39.000 0.047 0.000 0.972 417 F HN 0.269 nan 8.300 nan 0.000 0.474 418 D N -0.680 120.046 120.400 0.545 0.000 2.178 418 D HA -0.075 4.560 4.640 -0.007 0.000 0.202 418 D C 2.236 178.853 176.300 0.528 0.000 0.974 418 D CA 1.343 55.672 54.000 0.550 0.000 0.841 418 D CB -0.338 40.754 40.800 0.487 0.000 0.953 418 D HN 0.226 nan 8.370 nan 0.000 0.478 419 G N -2.302 106.746 108.800 0.412 0.000 2.986 419 G HA2 0.066 4.021 3.960 -0.007 0.000 0.213 419 G HA3 0.066 4.021 3.960 -0.007 0.000 0.213 419 G C 0.725 175.819 174.900 0.324 0.000 1.156 419 G CA 0.029 45.357 45.100 0.381 0.000 0.763 419 G HN 0.327 nan 8.290 nan 0.000 0.547 420 F N -0.101 119.880 119.950 0.051 0.000 1.901 420 F HA 0.143 4.666 4.527 -0.007 0.000 0.239 420 F C 2.423 178.204 175.800 -0.032 0.000 1.133 420 F CA 1.160 59.159 58.000 -0.000 0.000 1.271 420 F CB -0.206 38.765 39.000 -0.050 0.000 1.652 420 F HN -0.014 nan 8.300 nan 0.000 0.543 421 T N 0.919 115.442 114.554 -0.052 0.000 2.597 421 T HA -0.306 4.039 4.350 -0.007 0.000 0.267 421 T C 1.633 176.371 174.700 0.063 0.000 1.053 421 T CA 2.348 64.415 62.100 -0.054 0.000 1.165 421 T CB -0.520 68.343 68.868 -0.008 0.000 0.863 421 T HN 0.248 nan 8.240 nan 0.000 0.427 422 Q N 1.605 121.522 119.800 0.195 0.000 1.993 422 Q HA -0.054 4.281 4.340 -0.007 0.000 0.202 422 Q C -0.537 175.203 176.000 -0.433 0.000 0.984 422 Q CA 1.956 57.757 55.803 -0.003 0.000 0.837 422 Q CB -1.151 27.671 28.738 0.141 0.000 0.902 422 Q HN 0.382 nan 8.270 nan 0.000 0.423 423 P HA -0.161 nan 4.420 nan 0.000 0.215 423 P C 1.289 178.385 177.300 -0.340 0.000 1.153 423 P CA 1.369 63.850 63.100 -1.032 0.000 0.853 423 P CB -0.082 30.890 31.700 -1.214 0.000 0.788 424 V N 0.474 120.230 119.914 -0.263 0.000 2.295 424 V HA -0.215 3.901 4.120 -0.007 0.000 0.246 424 V C 3.047 179.074 176.094 -0.111 0.000 1.049 424 V CA 2.430 64.573 62.300 -0.262 0.000 1.024 424 V CB -1.571 29.982 31.823 -0.450 0.000 0.648 424 V HN 0.251 nan 8.190 nan 0.000 0.447 425 S N -0.423 115.249 115.700 -0.046 0.000 2.353 425 S HA -0.264 4.201 4.470 -0.007 0.000 0.222 425 S C 1.971 176.516 174.600 -0.090 0.000 1.035 425 S CA 2.130 60.345 58.200 0.026 0.000 1.025 425 S CB -0.289 62.947 63.200 0.059 0.000 0.902 425 S HN 0.733 nan 8.310 nan 0.000 0.440 426 E N -1.074 119.048 120.200 -0.130 0.000 2.150 426 E HA -0.145 4.200 4.350 -0.007 0.000 0.193 426 E C 1.711 178.268 176.600 -0.070 0.000 0.985 426 E CA 1.059 57.401 56.400 -0.097 0.000 0.814 426 E CB -0.215 29.443 29.700 -0.071 0.000 0.752 426 E HN 0.781 nan 8.360 nan 0.000 0.466 427 W N 1.235 122.313 121.300 -0.371 0.000 2.409 427 W HA -0.012 4.643 4.660 -0.008 0.000 0.299 427 W C 1.650 177.962 176.519 -0.344 0.000 1.203 427 W CA 1.001 58.065 57.345 -0.468 0.000 1.298 427 W CB -0.015 28.791 29.460 -1.089 0.000 1.127 427 W HN -0.100 nan 8.180 nan 0.000 0.528 428 I N -0.264 120.078 120.570 -0.381 0.000 2.731 428 I HA -0.097 4.069 4.170 -0.007 0.000 0.260 428 I C 2.279 178.209 176.117 -0.312 0.000 1.138 428 I CA 1.674 62.715 61.300 -0.432 0.000 1.461 428 I CB -0.681 37.219 38.000 -0.167 0.000 1.128 428 I HN 0.028 nan 8.210 nan 0.000 0.438 429 T N -2.792 111.599 114.554 -0.271 0.000 2.990 429 T HA 0.275 4.621 4.350 -0.007 0.000 0.250 429 T C 1.557 176.138 174.700 -0.198 0.000 1.041 429 T CA 0.525 62.450 62.100 -0.291 0.000 1.010 429 T CB 0.693 69.310 68.868 -0.418 0.000 1.003 429 T HN 0.427 nan 8.240 nan 0.000 0.499 430 G N 1.806 110.513 108.800 -0.155 0.000 2.160 430 G HA2 -0.183 3.772 3.960 -0.007 0.000 0.251 430 G HA3 -0.183 3.772 3.960 -0.007 0.000 0.251 430 G C -0.181 174.668 174.900 -0.084 0.000 1.008 430 G CA 0.237 45.278 45.100 -0.099 0.000 0.724 430 G HN 0.669 nan 8.290 nan 0.000 0.514 431 K N 0.394 120.733 120.400 -0.102 0.000 2.477 431 K HA 0.489 4.804 4.320 -0.007 0.000 0.255 431 K C -0.188 176.366 176.600 -0.077 0.000 0.952 431 K CA -0.453 55.785 56.287 -0.083 0.000 0.826 431 K CB 2.048 34.489 32.500 -0.099 0.000 1.331 431 K HN 0.270 nan 8.250 nan 0.000 0.437 432 D N -0.376 119.981 120.400 -0.072 0.000 2.447 432 D HA 0.004 4.639 4.640 -0.007 0.000 0.265 432 D C 1.032 177.299 176.300 -0.055 0.000 1.250 432 D CA -0.129 53.789 54.000 -0.136 0.000 1.046 432 D CB -0.017 40.661 40.800 -0.202 0.000 1.095 432 D HN 0.544 nan 8.370 nan 0.000 0.555 433 Y N -2.489 117.881 120.300 0.116 0.000 2.632 433 Y HA 0.142 4.688 4.550 -0.007 0.000 0.301 433 Y C 1.181 177.159 175.900 0.130 0.000 1.172 433 Y CA 0.151 58.339 58.100 0.146 0.000 1.328 433 Y CB -0.739 37.876 38.460 0.257 0.000 1.016 433 Y HN 0.124 nan 8.280 nan 0.000 0.529 434 Q N 1.104 121.076 119.800 0.287 0.000 2.282 434 Q HA 0.049 4.384 4.340 -0.007 0.000 0.206 434 Q C -0.046 176.013 176.000 0.098 0.000 0.878 434 Q CA 0.260 56.192 55.803 0.214 0.000 0.944 434 Q CB -0.240 28.599 28.738 0.167 0.000 1.100 434 Q HN 0.818 nan 8.270 nan 0.000 0.509 435 N N 1.141 119.878 118.700 0.062 0.000 2.815 435 N HA -0.120 4.616 4.740 -0.007 0.000 0.248 435 N C -1.033 174.472 175.510 -0.008 0.000 1.110 435 N CA -0.047 53.008 53.050 0.009 0.000 0.699 435 N CB -0.255 38.237 38.487 0.009 0.000 1.040 435 N HN 0.177 nan 8.380 nan 0.000 0.555 436 N N 0.181 118.874 118.700 -0.012 0.000 2.417 436 N HA 0.188 4.924 4.740 -0.007 0.000 0.300 436 N C -0.594 174.900 175.510 -0.027 0.000 1.102 436 N CA -0.291 52.749 53.050 -0.017 0.000 0.886 436 N CB 1.570 40.049 38.487 -0.013 0.000 1.203 436 N HN 0.058 nan 8.380 nan 0.000 0.496 437 S N 0.809 116.494 115.700 -0.025 0.000 2.673 437 S HA 0.265 4.731 4.470 -0.007 0.000 0.308 437 S C 0.046 174.636 174.600 -0.016 0.000 1.246 437 S CA -0.203 57.982 58.200 -0.025 0.000 1.077 437 S CB -0.214 62.974 63.200 -0.020 0.000 0.814 437 S HN 0.654 nan 8.310 nan 0.000 0.503 438 A N 3.172 125.982 122.820 -0.016 0.000 2.538 438 A HA 0.563 4.879 4.320 -0.007 0.000 0.293 438 A C -0.365 177.226 177.584 0.011 0.000 1.065 438 A CA -0.567 51.474 52.037 0.008 0.000 0.936 438 A CB 1.074 20.079 19.000 0.009 0.000 1.481 438 A HN 0.574 nan 8.150 nan 0.000 0.394 439 S N 2.095 117.813 115.700 0.029 0.000 2.536 439 S HA 0.912 5.377 4.470 -0.007 0.000 0.298 439 S C -0.403 174.250 174.600 0.088 0.000 1.083 439 S CA -0.498 57.721 58.200 0.032 0.000 0.995 439 S CB 0.811 64.015 63.200 0.006 0.000 1.058 439 S HN 1.446 nan 8.310 nan 0.000 0.488 440 I N 0.959 121.600 120.570 0.118 0.000 2.769 440 I HA 0.694 4.860 4.170 -0.007 0.000 0.298 440 I C -0.019 176.230 176.117 0.220 0.000 1.128 440 I CA -0.888 60.521 61.300 0.182 0.000 1.031 440 I CB 2.134 40.290 38.000 0.260 0.000 1.235 440 I HN 0.620 nan 8.210 nan 0.000 0.423 441 S N 2.585 118.401 115.700 0.193 0.000 2.641 441 S HA 0.285 4.751 4.470 -0.007 0.000 0.261 441 S C 0.915 175.661 174.600 0.243 0.000 1.257 441 S CA 0.067 58.394 58.200 0.212 0.000 0.983 441 S CB 1.120 64.400 63.200 0.134 0.000 0.990 441 S HN 0.754 nan 8.310 nan 0.000 0.572 442 T N 1.737 116.443 114.554 0.253 0.000 2.708 442 T HA -0.107 4.239 4.350 -0.007 0.000 0.266 442 T C 2.239 176.876 174.700 -0.105 0.000 1.037 442 T CA 2.063 64.203 62.100 0.066 0.000 1.146 442 T CB -1.232 67.764 68.868 0.213 0.000 0.865 442 T HN 0.946 nan 8.240 nan 0.000 0.435 443 T N 1.589 116.151 114.554 0.014 0.000 2.720 443 T HA -0.221 4.124 4.350 -0.007 0.000 0.268 443 T C 1.958 176.658 174.700 0.001 0.000 1.037 443 T CA 1.298 63.406 62.100 0.012 0.000 1.144 443 T CB -0.582 68.322 68.868 0.060 0.000 0.864 443 T HN 0.443 nan 8.240 nan 0.000 0.444 444 Q N 0.065 119.895 119.800 0.050 0.000 2.050 444 Q HA 0.022 4.358 4.340 -0.007 0.000 0.202 444 Q C 2.045 178.113 176.000 0.113 0.000 0.980 444 Q CA 1.540 57.404 55.803 0.101 0.000 0.840 444 Q CB -0.441 28.391 28.738 0.157 0.000 0.898 444 Q HN 0.643 nan 8.270 nan 0.000 0.424 445 F N 1.979 121.811 119.950 -0.196 0.000 2.043 445 F HA -0.345 4.178 4.527 -0.008 0.000 0.297 445 F C 1.989 177.549 175.800 -0.400 0.000 1.121 445 F CA 1.986 59.722 58.000 -0.439 0.000 1.199 445 F CB -0.111 38.232 39.000 -1.094 0.000 0.968 445 F HN 0.117 nan 8.300 nan 0.000 0.478 446 D N -0.586 119.452 120.400 -0.605 0.000 2.149 446 D HA -0.252 4.384 4.640 -0.007 0.000 0.198 446 D C 2.259 178.472 176.300 -0.144 0.000 0.990 446 D CA 1.619 55.354 54.000 -0.441 0.000 0.839 446 D CB -0.281 40.388 40.800 -0.218 0.000 0.948 446 D HN 0.288 nan 8.370 nan 0.000 0.460 447 S N -1.098 114.569 115.700 -0.055 0.000 2.387 447 S HA -0.134 4.332 4.470 -0.007 0.000 0.226 447 S C 1.810 176.443 174.600 0.055 0.000 1.026 447 S CA 0.823 59.032 58.200 0.015 0.000 0.972 447 S CB -0.678 62.539 63.200 0.030 0.000 0.814 447 S HN 0.558 nan 8.310 nan 0.000 0.477 448 W N 2.135 123.348 121.300 -0.145 0.000 2.355 448 W HA -0.005 4.650 4.660 -0.007 0.000 0.309 448 W C 1.743 178.181 176.519 -0.134 0.000 1.206 448 W CA 0.957 58.235 57.345 -0.111 0.000 1.284 448 W CB -0.957 28.454 29.460 -0.082 0.000 1.145 448 W HN 0.354 nan 8.180 nan 0.000 0.502 449 L N 0.220 121.471 121.223 0.047 0.000 2.046 449 L HA -0.199 4.137 4.340 -0.007 0.000 0.208 449 L C 2.895 179.782 176.870 0.028 0.000 1.077 449 L CA 1.587 56.404 54.840 -0.038 0.000 0.747 449 L CB -0.986 40.867 42.059 -0.344 0.000 0.896 449 L HN -0.122 nan 8.230 nan 0.000 0.432 450 R N 0.491 120.987 120.500 -0.007 0.000 2.073 450 R HA -0.138 4.197 4.340 -0.007 0.000 0.234 450 R C 2.226 178.518 176.300 -0.014 0.000 1.134 450 R CA 1.639 57.733 56.100 -0.010 0.000 0.952 450 R CB -0.539 29.770 30.300 0.015 0.000 0.850 450 R HN 0.399 nan 8.270 nan 0.000 0.433 451 G N -0.268 108.528 108.800 -0.006 0.000 2.422 451 G HA2 -0.281 3.675 3.960 -0.007 0.000 0.218 451 G HA3 -0.281 3.675 3.960 -0.007 0.000 0.218 451 G C 1.491 176.380 174.900 -0.018 0.000 1.146 451 G CA 1.386 46.462 45.100 -0.041 0.000 0.769 451 G HN 0.562 nan 8.290 nan 0.000 0.547 452 T N -1.214 113.386 114.554 0.077 0.000 2.896 452 T HA 0.051 4.397 4.350 -0.007 0.000 0.263 452 T C 2.296 177.067 174.700 0.119 0.000 1.050 452 T CA 0.661 62.835 62.100 0.124 0.000 1.140 452 T CB -0.181 68.870 68.868 0.305 0.000 0.877 452 T HN 0.260 nan 8.240 nan 0.000 0.457 453 R N 1.338 121.903 120.500 0.109 0.000 2.096 453 R HA 0.163 4.499 4.340 -0.007 0.000 0.235 453 R C 2.846 179.184 176.300 0.063 0.000 1.127 453 R CA 1.204 57.365 56.100 0.103 0.000 0.968 453 R CB -0.658 29.633 30.300 -0.015 0.000 0.861 453 R HN 0.524 nan 8.270 nan 0.000 0.440 454 A N 1.441 124.250 122.820 -0.019 0.000 2.178 454 A HA -0.118 4.198 4.320 -0.007 0.000 0.218 454 A C 1.430 178.983 177.584 -0.052 0.000 1.157 454 A CA 1.060 53.056 52.037 -0.067 0.000 0.689 454 A CB -0.305 18.606 19.000 -0.149 0.000 0.787 454 A HN 0.257 nan 8.150 nan 0.000 0.465 455 N N -1.105 117.496 118.700 -0.165 0.000 2.459 455 N HA 0.018 4.754 4.740 -0.007 0.000 0.181 455 N C -0.489 174.755 175.510 -0.444 0.000 1.046 455 N CA 0.776 53.602 53.050 -0.373 0.000 0.904 455 N CB -0.095 37.975 38.487 -0.696 0.000 0.964 455 N HN 0.648 nan 8.380 nan 0.000 0.444 456 Y N -0.505 119.789 120.300 -0.010 0.000 2.570 456 Y HA 0.473 5.019 4.550 -0.007 0.000 0.345 456 Y C -2.221 173.571 175.900 -0.179 0.000 1.014 456 Y CA -2.665 55.347 58.100 -0.146 0.000 1.063 456 Y CB 1.031 39.452 38.460 -0.064 0.000 1.272 456 Y HN -0.221 nan 8.280 nan 0.000 0.477 457 P HA 0.055 nan 4.420 nan 0.000 0.269 457 P C 0.499 177.847 177.300 0.081 0.000 1.215 457 P CA 0.298 63.370 63.100 -0.047 0.000 0.780 457 P CB 0.750 32.439 31.700 -0.019 0.000 0.898 458 T N 0.794 115.422 114.554 0.123 0.000 2.684 458 T HA -0.206 4.139 4.350 -0.007 0.000 0.267 458 T C 1.445 176.125 174.700 -0.033 0.000 1.036 458 T CA 2.210 64.349 62.100 0.065 0.000 1.148 458 T CB -1.149 67.774 68.868 0.091 0.000 0.863 458 T HN 0.660 nan 8.240 nan 0.000 0.436 459 N N 0.967 119.621 118.700 -0.077 0.000 2.289 459 N HA -0.083 4.652 4.740 -0.007 0.000 0.184 459 N C 1.727 177.119 175.510 -0.197 0.000 1.016 459 N CA 0.735 53.675 53.050 -0.183 0.000 0.872 459 N CB -0.415 37.886 38.487 -0.310 0.000 0.973 459 N HN 0.188 nan 8.380 nan 0.000 0.433 460 V N 1.201 121.043 119.914 -0.121 0.000 2.323 460 V HA -0.201 3.915 4.120 -0.007 0.000 0.244 460 V C 2.624 178.602 176.094 -0.193 0.000 1.041 460 V CA 1.568 63.798 62.300 -0.118 0.000 1.025 460 V CB -0.762 31.056 31.823 -0.009 0.000 0.656 460 V HN 0.331 nan 8.190 nan 0.000 0.451 461 Q N -0.180 119.543 119.800 -0.128 0.000 2.062 461 Q HA -0.327 4.009 4.340 -0.007 0.000 0.209 461 Q C 2.265 178.136 176.000 -0.215 0.000 0.996 461 Q CA 2.269 57.984 55.803 -0.146 0.000 0.859 461 Q CB -0.262 28.430 28.738 -0.077 0.000 0.920 461 Q HN 0.694 nan 8.270 nan 0.000 0.415 462 Q N -0.581 119.103 119.800 -0.195 0.000 2.500 462 Q HA -0.045 4.291 4.340 -0.007 0.000 0.213 462 Q C 1.236 177.093 176.000 -0.239 0.000 0.974 462 Q CA 0.888 56.564 55.803 -0.211 0.000 0.918 462 Q CB 0.312 28.944 28.738 -0.176 0.000 0.980 462 Q HN 0.150 nan 8.270 nan 0.000 0.505 463 S N -0.612 114.936 115.700 -0.253 0.000 2.559 463 S HA 0.177 4.642 4.470 -0.007 0.000 0.226 463 S C 0.385 174.824 174.600 -0.269 0.000 1.000 463 S CA -0.230 57.803 58.200 -0.277 0.000 0.948 463 S CB 0.396 63.425 63.200 -0.284 0.000 0.870 463 S HN 0.227 nan 8.310 nan 0.000 0.497 464 M N 1.893 121.326 119.600 -0.278 0.000 2.249 464 M HA 0.154 4.630 4.480 -0.007 0.000 0.340 464 M C 0.079 176.216 176.300 -0.273 0.000 1.166 464 M CA 0.488 55.618 55.300 -0.283 0.000 1.115 464 M CB -0.405 32.019 32.600 -0.293 0.000 1.606 464 M HN 0.250 nan 8.290 nan 0.000 0.448 465 M N 4.486 123.939 119.600 -0.244 0.000 2.264 465 M HA 0.117 4.593 4.480 -0.007 0.000 0.340 465 M C -0.765 175.342 176.300 -0.321 0.000 1.420 465 M CA -0.154 55.030 55.300 -0.194 0.000 1.254 465 M CB -0.199 32.349 32.600 -0.087 0.000 1.575 465 M HN 0.401 nan 8.290 nan 0.000 0.452 466 N N 7.149 125.575 118.700 -0.456 0.000 2.558 466 N HA 0.318 5.054 4.740 -0.007 0.000 0.233 466 N C -1.380 173.791 175.510 -0.565 0.000 1.038 466 N CA -0.060 52.437 53.050 -0.923 0.000 0.934 466 N CB 0.120 37.626 38.487 -1.636 0.000 1.175 466 N HN 0.467 nan 8.380 nan 0.000 0.512 467 F N -1.284 118.615 119.950 -0.085 0.000 2.507 467 F HA 0.534 5.056 4.527 -0.008 0.000 0.327 467 F C 0.952 176.929 175.800 0.295 0.000 1.068 467 F CA -1.160 56.883 58.000 0.072 0.000 0.965 467 F CB 1.193 40.151 39.000 -0.071 0.000 1.192 467 F HN 0.010 nan 8.300 nan 0.000 0.476 468 L N 1.186 122.669 121.223 0.434 0.000 2.313 468 L HA 0.125 4.461 4.340 -0.007 0.000 0.214 468 L C 0.144 177.235 176.870 0.369 0.000 1.119 468 L CA 0.708 55.708 54.840 0.267 0.000 0.809 468 L CB -0.506 41.568 42.059 0.025 0.000 0.933 468 L HN 0.900 nan 8.230 nan 0.000 0.449 469 S N -1.277 114.690 115.700 0.445 0.000 2.656 469 S HA 0.505 4.970 4.470 -0.007 0.000 0.265 469 S C -1.154 173.324 174.600 -0.204 0.000 1.110 469 S CA -1.081 57.283 58.200 0.275 0.000 0.821 469 S CB 1.800 65.149 63.200 0.248 0.000 1.099 469 S HN 0.248 nan 8.310 nan 0.000 0.471 470 N N -1.353 116.962 118.700 -0.641 0.000 3.449 470 N HA 0.310 5.046 4.740 -0.007 0.000 0.312 470 N C 0.449 175.278 175.510 -1.135 0.000 1.582 470 N CA -0.401 51.748 53.050 -1.500 0.000 0.850 470 N CB -0.552 37.205 38.487 -1.218 0.000 1.822 470 N HN 0.830 nan 8.380 nan 0.000 0.577 471 H N -1.659 116.915 119.070 -0.827 0.000 2.545 471 H HA 0.119 4.670 4.556 -0.007 0.000 0.282 471 H C -0.645 174.637 175.328 -0.076 0.000 1.020 471 H CA 1.089 57.027 56.048 -0.183 0.000 1.243 471 H CB -0.235 29.630 29.762 0.171 0.000 1.377 471 H HN 0.515 nan 8.280 nan 0.000 0.581 472 D N 0.867 120.980 120.400 -0.478 0.000 2.398 472 D HA 0.202 4.838 4.640 -0.007 0.000 0.210 472 D C 1.328 177.638 176.300 0.017 0.000 1.094 472 D CA 0.101 53.992 54.000 -0.182 0.000 0.839 472 D CB 1.095 41.844 40.800 -0.085 0.000 0.963 472 D HN 0.570 nan 8.370 nan 0.000 0.506 473 I N -2.228 118.336 120.570 -0.010 0.000 3.445 473 I HA 0.478 4.644 4.170 -0.007 0.000 0.303 473 I C 0.128 176.298 176.117 0.089 0.000 1.129 473 I CA -0.993 60.368 61.300 0.101 0.000 0.989 473 I CB 1.598 39.690 38.000 0.153 0.000 1.314 473 I HN -0.274 nan 8.210 nan 0.000 0.488 474 T N -0.028 114.607 114.554 0.136 0.000 2.882 474 T HA 0.394 4.739 4.350 -0.007 0.000 0.287 474 T C 0.308 175.079 174.700 0.117 0.000 1.014 474 T CA -0.745 61.417 62.100 0.104 0.000 1.049 474 T CB 0.773 69.694 68.868 0.089 0.000 1.001 474 T HN 0.487 nan 8.240 nan 0.000 0.525 475 R N 1.220 121.773 120.500 0.089 0.000 2.537 475 R HA 0.139 4.475 4.340 -0.007 0.000 0.280 475 R C 0.896 177.261 176.300 0.108 0.000 1.058 475 R CA -0.322 55.842 56.100 0.106 0.000 1.057 475 R CB -0.095 30.227 30.300 0.036 0.000 0.973 475 R HN 0.843 nan 8.270 nan 0.000 0.438 476 F N 2.878 122.853 119.950 0.041 0.000 2.095 476 F HA -0.269 4.254 4.527 -0.007 0.000 0.298 476 F C 2.035 177.826 175.800 -0.015 0.000 1.104 476 F CA 2.226 60.240 58.000 0.023 0.000 1.232 476 F CB -0.074 38.946 39.000 0.033 0.000 0.987 476 F HN 0.686 nan 8.300 nan 0.000 0.475 477 A N -1.147 121.753 122.820 0.133 0.000 2.024 477 A HA -0.183 4.133 4.320 -0.007 0.000 0.220 477 A C 2.168 179.712 177.584 -0.068 0.000 1.164 477 A CA 2.233 54.288 52.037 0.029 0.000 0.643 477 A CB -1.273 17.747 19.000 0.033 0.000 0.806 477 A HN 0.458 nan 8.150 nan 0.000 0.451 478 T N -1.086 113.428 114.554 -0.066 0.000 2.937 478 T HA -0.012 4.333 4.350 -0.007 0.000 0.260 478 T C 1.982 176.610 174.700 -0.120 0.000 1.051 478 T CA 0.981 63.040 62.100 -0.068 0.000 1.141 478 T CB -0.136 68.715 68.868 -0.028 0.000 0.879 478 T HN 0.503 nan 8.240 nan 0.000 0.459 479 R N 1.498 121.890 120.500 -0.180 0.000 2.237 479 R HA -0.010 4.326 4.340 -0.007 0.000 0.219 479 R C 2.173 178.279 176.300 -0.322 0.000 1.080 479 R CA 1.283 57.241 56.100 -0.237 0.000 0.995 479 R CB -0.047 30.084 30.300 -0.281 0.000 0.875 479 R HN 0.360 nan 8.270 nan 0.000 0.462 480 S N -1.304 114.175 115.700 -0.368 0.000 2.557 480 S HA 0.160 4.625 4.470 -0.007 0.000 0.223 480 S C 1.137 175.622 174.600 -0.192 0.000 0.969 480 S CA 0.133 58.130 58.200 -0.339 0.000 0.927 480 S CB 0.947 63.904 63.200 -0.405 0.000 0.806 480 S HN 0.388 nan 8.310 nan 0.000 0.489 481 G N 0.848 109.562 108.800 -0.143 0.000 2.225 481 G HA2 0.021 3.977 3.960 -0.007 0.000 0.267 481 G HA3 0.021 3.977 3.960 -0.007 0.000 0.267 481 G C 1.126 175.987 174.900 -0.066 0.000 1.024 481 G CA 0.326 45.372 45.100 -0.090 0.000 0.784 481 G HN 1.883 nan 8.290 nan 0.000 0.507 482 G N -0.802 107.959 108.800 -0.065 0.000 2.184 482 G HA2 -0.251 3.705 3.960 -0.007 0.000 0.264 482 G HA3 -0.251 3.705 3.960 -0.007 0.000 0.264 482 G C 0.290 175.174 174.900 -0.027 0.000 0.975 482 G CA 0.993 46.073 45.100 -0.034 0.000 0.642 482 G HN 1.510 nan 8.290 nan 0.000 0.536 483 D N 0.561 120.930 120.400 -0.051 0.000 2.367 483 D HA 0.288 4.924 4.640 -0.007 0.000 0.255 483 D C 1.635 177.903 176.300 -0.053 0.000 1.300 483 D CA -0.467 53.515 54.000 -0.030 0.000 0.959 483 D CB 0.310 41.067 40.800 -0.072 0.000 1.064 483 D HN 0.105 nan 8.370 nan 0.000 0.509 484 L N 4.398 125.580 121.223 -0.068 0.000 2.261 484 L HA -0.042 4.294 4.340 -0.007 0.000 0.216 484 L C 1.330 177.779 176.870 -0.701 0.000 1.114 484 L CA 1.426 56.111 54.840 -0.258 0.000 0.777 484 L CB -0.315 41.612 42.059 -0.219 0.000 0.910 484 L HN 0.501 nan 8.230 nan 0.000 0.440 485 W N -0.049 120.865 121.300 -0.642 0.000 2.402 485 W HA -0.127 4.529 4.660 -0.007 0.000 0.286 485 W C 2.405 178.736 176.519 -0.314 0.000 1.221 485 W CA 1.060 58.022 57.345 -0.639 0.000 1.257 485 W CB -0.272 29.101 29.460 -0.146 0.000 1.120 485 W HN 0.026 nan 8.180 nan 0.000 0.551 486 K N -0.763 119.578 120.400 -0.098 0.000 2.283 486 K HA -0.083 4.232 4.320 -0.007 0.000 0.202 486 K C 1.791 178.512 176.600 0.201 0.000 1.048 486 K CA 1.527 57.767 56.287 -0.078 0.000 0.948 486 K CB -0.389 32.000 32.500 -0.186 0.000 0.742 486 K HN 0.051 nan 8.250 nan 0.000 0.458 487 T N 0.384 115.015 114.554 0.128 0.000 2.896 487 T HA -0.063 4.282 4.350 -0.007 0.000 0.263 487 T C 1.515 176.309 174.700 0.157 0.000 1.050 487 T CA 0.874 63.052 62.100 0.130 0.000 1.140 487 T CB -0.204 68.731 68.868 0.113 0.000 0.877 487 T HN 0.287 nan 8.240 nan 0.000 0.457 488 Y N 0.647 121.001 120.300 0.091 0.000 2.097 488 Y HA -0.155 4.391 4.550 -0.007 0.000 0.282 488 Y C 2.476 178.412 175.900 0.060 0.000 1.152 488 Y CA 0.273 58.416 58.100 0.071 0.000 1.136 488 Y CB -0.384 38.180 38.460 0.174 0.000 0.975 488 Y HN 0.111 nan 8.280 nan 0.000 0.498 489 L N 0.725 122.130 121.223 0.304 0.000 2.012 489 L HA -0.224 4.112 4.340 -0.007 0.000 0.210 489 L C 2.493 179.497 176.870 0.223 0.000 1.073 489 L CA 1.992 56.980 54.840 0.246 0.000 0.748 489 L CB -1.108 41.087 42.059 0.226 0.000 0.891 489 L HN 0.165 nan 8.230 nan 0.000 0.431 490 A N -0.590 122.291 122.820 0.101 0.000 1.883 490 A HA -0.212 4.104 4.320 -0.007 0.000 0.217 490 A C 2.290 179.947 177.584 0.122 0.000 1.186 490 A CA 2.192 54.217 52.037 -0.021 0.000 0.624 490 A CB -0.966 17.648 19.000 -0.644 0.000 0.822 490 A HN 0.518 nan 8.150 nan 0.000 0.444 491 L N -0.625 120.649 121.223 0.086 0.000 1.994 491 L HA -0.187 4.148 4.340 -0.007 0.000 0.208 491 L C 2.535 179.502 176.870 0.162 0.000 1.071 491 L CA 1.461 56.373 54.840 0.120 0.000 0.745 491 L CB -0.560 41.558 42.059 0.098 0.000 0.892 491 L HN 0.382 nan 8.230 nan 0.000 0.431 492 I N -0.872 119.788 120.570 0.150 0.000 2.264 492 I HA -0.348 3.817 4.170 -0.007 0.000 0.248 492 I C 2.488 178.767 176.117 0.270 0.000 1.111 492 I CA 1.520 62.903 61.300 0.137 0.000 1.382 492 I CB -0.318 37.714 38.000 0.054 0.000 1.060 492 I HN 0.207 nan 8.210 nan 0.000 0.418 493 F N 1.477 121.580 119.950 0.255 0.000 2.128 493 F HA -0.212 4.310 4.527 -0.007 0.000 0.295 493 F C 2.674 178.714 175.800 0.400 0.000 1.100 493 F CA 1.727 59.962 58.000 0.392 0.000 1.260 493 F CB -0.478 38.772 39.000 0.417 0.000 1.009 493 F HN -0.008 nan 8.300 nan 0.000 0.476 494 Q N -0.316 119.679 119.800 0.326 0.000 2.135 494 Q HA -0.198 4.137 4.340 -0.007 0.000 0.204 494 Q C 1.813 177.855 176.000 0.069 0.000 0.981 494 Q CA 1.676 57.640 55.803 0.269 0.000 0.856 494 Q CB -0.089 28.887 28.738 0.397 0.000 0.902 494 Q HN 0.334 nan 8.270 nan 0.000 0.425 495 M N 0.069 119.726 119.600 0.094 0.000 2.659 495 M HA -0.005 4.470 4.480 -0.007 0.000 0.243 495 M C 1.366 177.706 176.300 0.067 0.000 1.111 495 M CA 1.112 56.451 55.300 0.064 0.000 1.070 495 M CB -0.110 32.534 32.600 0.072 0.000 1.525 495 M HN 0.311 nan 8.290 nan 0.000 0.517 496 T N -4.495 110.112 114.554 0.089 0.000 3.043 496 T HA 0.133 4.479 4.350 -0.007 0.000 0.272 496 T C 0.127 174.959 174.700 0.219 0.000 0.990 496 T CA -0.394 61.795 62.100 0.150 0.000 0.897 496 T CB 0.028 69.011 68.868 0.192 0.000 1.111 496 T HN 0.087 nan 8.240 nan 0.000 0.529 497 Y N 1.769 121.982 120.300 -0.145 0.000 2.408 497 Y HA 0.618 5.164 4.550 -0.008 0.000 0.324 497 Y C -0.097 175.723 175.900 -0.132 0.000 1.302 497 Y CA -2.075 55.883 58.100 -0.238 0.000 1.384 497 Y CB 1.089 39.152 38.460 -0.661 0.000 1.367 497 Y HN -0.040 nan 8.280 nan 0.000 0.525 498 V N 3.141 122.486 119.914 -0.948 0.000 2.455 498 V HA 0.575 4.691 4.120 -0.007 0.000 0.273 498 V C 0.378 176.120 176.094 -0.588 0.000 1.045 498 V CA 0.626 62.505 62.300 -0.702 0.000 0.976 498 V CB -0.236 31.116 31.823 -0.786 0.000 0.993 498 V HN 1.031 nan 8.190 nan 0.000 0.475 499 G N 3.582 112.169 108.800 -0.354 0.000 2.362 499 G HA2 0.008 3.964 3.960 -0.007 0.000 0.656 499 G HA3 0.008 3.964 3.960 -0.007 0.000 0.656 499 G C -0.515 174.220 174.900 -0.275 0.000 1.376 499 G CA -0.725 44.186 45.100 -0.316 0.000 0.971 499 G HN 0.609 nan 8.290 nan 0.000 0.636 500 T N 3.171 117.567 114.554 -0.262 0.000 2.750 500 T HA 0.450 4.795 4.350 -0.007 0.000 0.286 500 T C -2.216 172.362 174.700 -0.204 0.000 0.911 500 T CA -0.273 61.706 62.100 -0.202 0.000 1.130 500 T CB 0.895 69.656 68.868 -0.178 0.000 0.873 500 T HN 0.374 nan 8.240 nan 0.000 0.536 501 P HA 0.120 nan 4.420 nan 0.000 0.262 501 P C -0.413 176.858 177.300 -0.048 0.000 1.199 501 P CA 0.161 63.184 63.100 -0.128 0.000 0.763 501 P CB 0.303 31.977 31.700 -0.043 0.000 0.790 502 T N 5.264 119.798 114.554 -0.033 0.000 2.847 502 T HA 0.486 4.831 4.350 -0.007 0.000 0.291 502 T C 0.105 174.879 174.700 0.123 0.000 0.998 502 T CA -0.341 61.802 62.100 0.072 0.000 0.967 502 T CB 0.311 69.252 68.868 0.122 0.000 0.954 502 T HN 0.151 nan 8.240 nan 0.000 0.441 503 I N 3.468 124.085 120.570 0.080 0.000 2.321 503 I HA 0.287 4.453 4.170 -0.007 0.000 0.291 503 I C -0.606 175.434 176.117 -0.128 0.000 0.998 503 I CA -1.052 60.261 61.300 0.021 0.000 1.227 503 I CB 0.821 38.851 38.000 0.050 0.000 1.368 503 I HN 0.557 nan 8.210 nan 0.000 0.466 504 Y N 9.052 129.245 120.300 -0.179 0.000 2.452 504 Y HA 0.158 4.704 4.550 -0.007 0.000 0.348 504 Y C 0.082 175.799 175.900 -0.306 0.000 0.985 504 Y CA -1.692 56.282 58.100 -0.211 0.000 1.214 504 Y CB -0.151 38.230 38.460 -0.132 0.000 1.136 504 Y HN 0.475 nan 8.280 nan 0.000 0.523 505 Y N 5.047 124.929 120.300 -0.698 0.000 2.922 505 Y HA 0.153 4.698 4.550 -0.008 0.000 0.374 505 Y C 1.019 176.808 175.900 -0.185 0.000 1.255 505 Y CA 0.605 58.444 58.100 -0.436 0.000 1.624 505 Y CB -0.368 37.936 38.460 -0.260 0.000 1.122 505 Y HN 0.951 nan 8.280 nan 0.000 0.552 506 G N 2.824 111.584 108.800 -0.066 0.000 2.339 506 G HA2 -0.330 3.626 3.960 -0.007 0.000 0.209 506 G HA3 -0.330 3.626 3.960 -0.007 0.000 0.209 506 G C 0.696 175.153 174.900 -0.739 0.000 1.015 506 G CA 0.215 44.914 45.100 -0.668 0.000 0.635 506 G HN 0.589 nan 8.290 nan 0.000 0.499 507 D N 1.551 121.724 120.400 -0.377 0.000 2.178 507 D HA -0.030 4.605 4.640 -0.007 0.000 0.201 507 D C 2.501 178.748 176.300 -0.089 0.000 0.980 507 D CA 1.432 55.322 54.000 -0.183 0.000 0.842 507 D CB -0.119 40.660 40.800 -0.035 0.000 0.948 507 D HN 0.747 nan 8.370 nan 0.000 0.472 508 E N 0.500 120.703 120.200 0.005 0.000 2.265 508 E HA -0.212 4.134 4.350 -0.007 0.000 0.196 508 E C 1.493 178.201 176.600 0.179 0.000 0.996 508 E CA 0.935 57.421 56.400 0.143 0.000 0.832 508 E CB -0.568 29.306 29.700 0.290 0.000 0.756 508 E HN 0.580 nan 8.360 nan 0.000 0.491 509 Y N -1.285 119.065 120.300 0.082 0.000 2.481 509 Y HA 0.589 5.135 4.550 -0.008 0.000 0.247 509 Y C 1.157 177.057 175.900 -0.001 0.000 1.151 509 Y CA -0.538 57.578 58.100 0.025 0.000 1.238 509 Y CB 0.415 38.834 38.460 -0.068 0.000 1.179 509 Y HN 0.039 nan 8.280 nan 0.000 0.524 510 G N 1.354 110.118 108.800 -0.061 0.000 2.167 510 G HA2 -0.271 3.685 3.960 -0.007 0.000 0.194 510 G HA3 -0.271 3.685 3.960 -0.007 0.000 0.194 510 G C 0.016 174.858 174.900 -0.097 0.000 1.027 510 G CA -0.014 45.080 45.100 -0.010 0.000 0.717 510 G HN 0.538 nan 8.290 nan 0.000 0.501 511 M N 0.319 119.648 119.600 -0.450 0.000 2.252 511 M HA 0.315 4.790 4.480 -0.007 0.000 0.333 511 M C 0.745 176.947 176.300 -0.162 0.000 1.111 511 M CA 0.576 55.670 55.300 -0.344 0.000 1.140 511 M CB 0.342 32.548 32.600 -0.658 0.000 1.538 511 M HN 0.441 nan 8.290 nan 0.000 0.448 512 Q N 1.851 121.598 119.800 -0.089 0.000 2.427 512 Q HA 0.862 5.197 4.340 -0.007 0.000 0.232 512 Q C -0.527 175.438 176.000 -0.058 0.000 1.018 512 Q CA -0.779 54.993 55.803 -0.052 0.000 0.965 512 Q CB 2.069 30.794 28.738 -0.022 0.000 1.232 512 Q HN 0.976 nan 8.270 nan 0.000 0.510 513 G N -1.154 107.633 108.800 -0.023 0.000 2.306 513 G HA2 0.324 4.280 3.960 -0.007 0.000 0.340 513 G HA3 0.324 4.280 3.960 -0.007 0.000 0.340 513 G C -0.727 174.184 174.900 0.017 0.000 1.630 513 G CA -0.499 44.594 45.100 -0.010 0.000 0.937 513 G HN 0.699 nan 8.290 nan 0.000 0.693 514 G N -0.033 108.791 108.800 0.041 0.000 2.882 514 G HA2 0.875 4.831 3.960 -0.007 0.000 0.164 514 G HA3 0.875 4.831 3.960 -0.007 0.000 0.164 514 G C 0.914 175.847 174.900 0.055 0.000 1.429 514 G CA 0.589 45.721 45.100 0.053 0.000 1.059 514 G HN 2.046 nan 8.290 nan 0.000 0.581 515 A N -0.202 122.659 122.820 0.068 0.000 2.483 515 A HA 0.365 4.680 4.320 -0.007 0.000 0.238 515 A C 0.533 178.140 177.584 0.039 0.000 1.070 515 A CA 0.031 52.105 52.037 0.061 0.000 0.770 515 A CB -0.084 18.958 19.000 0.070 0.000 1.008 515 A HN 0.617 nan 8.150 nan 0.000 0.497 516 D N 1.798 122.206 120.400 0.014 0.000 2.703 516 D HA -0.049 4.587 4.640 -0.007 0.000 0.225 516 D C -1.142 175.141 176.300 -0.028 0.000 1.119 516 D CA -0.360 53.624 54.000 -0.026 0.000 0.845 516 D CB 0.714 41.504 40.800 -0.016 0.000 1.182 516 D HN 0.327 nan 8.370 nan 0.000 0.493 517 P HA 0.041 nan 4.420 nan 0.000 0.255 517 P C 0.475 177.601 177.300 -0.290 0.000 1.248 517 P CA 0.031 63.006 63.100 -0.210 0.000 0.807 517 P CB 0.361 31.922 31.700 -0.232 0.000 1.150 518 D N 1.571 121.814 120.400 -0.262 0.000 2.384 518 D HA -0.116 4.520 4.640 -0.007 0.000 0.222 518 D C 1.268 177.499 176.300 -0.115 0.000 0.976 518 D CA 0.739 54.622 54.000 -0.195 0.000 0.915 518 D CB -0.616 40.200 40.800 0.026 0.000 0.896 518 D HN 0.397 nan 8.370 nan 0.000 0.523 519 N N -0.932 117.713 118.700 -0.092 0.000 2.268 519 N HA 0.071 4.806 4.740 -0.007 0.000 0.204 519 N C 0.327 175.811 175.510 -0.042 0.000 1.124 519 N CA -0.255 52.780 53.050 -0.025 0.000 0.838 519 N CB 0.428 38.941 38.487 0.043 0.000 0.994 519 N HN -0.056 nan 8.380 nan 0.000 0.489 520 R N 0.819 121.198 120.500 -0.201 0.000 2.698 520 R HA 0.243 4.579 4.340 -0.007 0.000 0.422 520 R C -0.353 175.742 176.300 -0.342 0.000 1.073 520 R CA -0.521 55.385 56.100 -0.323 0.000 1.054 520 R CB 0.524 30.380 30.300 -0.740 0.000 1.373 520 R HN 0.122 nan 8.270 nan 0.000 0.593 521 R N 1.019 121.346 120.500 -0.287 0.000 2.827 521 R HA 0.086 4.421 4.340 -0.007 0.000 0.269 521 R C 0.409 176.500 176.300 -0.348 0.000 1.048 521 R CA 0.220 56.104 56.100 -0.359 0.000 1.173 521 R CB 0.364 30.520 30.300 -0.240 0.000 1.070 521 R HN 0.146 nan 8.270 nan 0.000 0.498 522 S N 0.955 116.299 115.700 -0.593 0.000 2.528 522 S HA 0.109 4.574 4.470 -0.007 0.000 0.277 522 S C -0.126 174.426 174.600 -0.080 0.000 1.297 522 S CA -0.758 57.078 58.200 -0.608 0.000 1.052 522 S CB 0.405 62.737 63.200 -1.446 0.000 0.917 522 S HN 0.441 nan 8.310 nan 0.000 0.492 523 F N 2.567 122.612 119.950 0.159 0.000 2.571 523 F HA 0.104 4.627 4.527 -0.007 0.000 0.384 523 F C 0.685 176.544 175.800 0.099 0.000 1.058 523 F CA 0.090 58.185 58.000 0.157 0.000 1.200 523 F CB 0.260 39.312 39.000 0.087 0.000 1.077 523 F HN 0.744 nan 8.300 nan 0.000 0.558 524 D N 6.063 126.281 120.400 -0.303 0.000 2.453 524 D HA 0.048 4.683 4.640 -0.007 0.000 0.223 524 D C 0.300 176.292 176.300 -0.514 0.000 1.183 524 D CA -0.259 53.599 54.000 -0.236 0.000 0.933 524 D CB 0.084 40.710 40.800 -0.290 0.000 1.038 524 D HN 0.541 nan 8.370 nan 0.000 0.513 525 W N 2.100 123.398 121.300 -0.003 0.000 2.480 525 W HA -0.125 4.531 4.660 -0.007 0.000 0.257 525 W C 2.377 178.794 176.519 -0.169 0.000 1.235 525 W CA 0.758 58.059 57.345 -0.072 0.000 1.218 525 W CB -0.247 29.170 29.460 -0.072 0.000 1.131 525 W HN 0.462 nan 8.180 nan 0.000 0.606 526 S N -1.266 114.407 115.700 -0.046 0.000 2.489 526 S HA -0.096 4.369 4.470 -0.007 0.000 0.228 526 S C 1.617 176.104 174.600 -0.187 0.000 0.995 526 S CA 0.546 58.702 58.200 -0.072 0.000 0.934 526 S CB -0.155 63.014 63.200 -0.052 0.000 0.771 526 S HN 0.226 nan 8.310 nan 0.000 0.522 527 Q N 1.051 120.599 119.800 -0.421 0.000 2.402 527 Q HA 0.365 4.701 4.340 -0.007 0.000 0.206 527 Q C 1.099 176.859 176.000 -0.400 0.000 0.919 527 Q CA 0.675 56.144 55.803 -0.558 0.000 0.923 527 Q CB -0.179 27.819 28.738 -1.233 0.000 1.048 527 Q HN 0.681 nan 8.270 nan 0.000 0.515 528 A N 2.120 124.736 122.820 -0.341 0.000 3.029 528 A HA 0.243 4.559 4.320 -0.007 0.000 0.251 528 A C 0.269 177.917 177.584 0.107 0.000 1.749 528 A CA 0.341 52.326 52.037 -0.086 0.000 1.386 528 A CB -0.927 17.908 19.000 -0.275 0.000 1.043 528 A HN 0.208 nan 8.150 nan 0.000 0.638 529 T N -4.367 110.264 114.554 0.128 0.000 2.843 529 T HA 0.542 4.887 4.350 -0.007 0.000 0.302 529 T C -2.820 171.959 174.700 0.131 0.000 1.232 529 T CA -1.359 60.832 62.100 0.151 0.000 1.009 529 T CB 1.615 70.530 68.868 0.077 0.000 1.254 529 T HN -0.101 nan 8.240 nan 0.000 0.504 530 P HA 0.039 nan 4.420 nan 0.000 0.226 530 P C 1.335 178.665 177.300 0.049 0.000 1.146 530 P CA 0.684 63.831 63.100 0.079 0.000 0.773 530 P CB -0.034 31.704 31.700 0.063 0.000 0.772 531 S N -1.439 114.287 115.700 0.043 0.000 2.474 531 S HA -0.068 4.398 4.470 -0.007 0.000 0.235 531 S C 1.042 175.656 174.600 0.023 0.000 0.997 531 S CA 0.332 58.547 58.200 0.024 0.000 0.949 531 S CB -0.794 62.415 63.200 0.016 0.000 0.766 531 S HN 0.258 nan 8.310 nan 0.000 0.517 532 N N 1.183 119.906 118.700 0.037 0.000 2.419 532 N HA 0.184 4.920 4.740 -0.007 0.000 0.264 532 N C 0.499 176.044 175.510 0.058 0.000 1.031 532 N CA 0.048 53.127 53.050 0.050 0.000 0.951 532 N CB 1.339 39.863 38.487 0.063 0.000 1.101 532 N HN -0.076 nan 8.380 nan 0.000 0.488 533 S N 2.985 118.712 115.700 0.044 0.000 2.383 533 S HA -0.165 4.301 4.470 -0.007 0.000 0.229 533 S C 1.859 176.441 174.600 -0.029 0.000 1.030 533 S CA 1.522 59.704 58.200 -0.031 0.000 1.002 533 S CB -0.155 63.003 63.200 -0.070 0.000 0.829 533 S HN 0.781 nan 8.310 nan 0.000 0.467 534 A N 1.118 124.023 122.820 0.140 0.000 1.902 534 A HA -0.050 4.266 4.320 -0.007 0.000 0.217 534 A C 2.350 180.014 177.584 0.133 0.000 1.181 534 A CA 1.566 53.719 52.037 0.193 0.000 0.623 534 A CB -0.918 18.241 19.000 0.266 0.000 0.818 534 A HN 0.345 nan 8.150 nan 0.000 0.443 535 V N -0.041 119.969 119.914 0.159 0.000 2.295 535 V HA -0.267 3.848 4.120 -0.007 0.000 0.246 535 V C 3.077 179.233 176.094 0.103 0.000 1.049 535 V CA 2.022 64.428 62.300 0.177 0.000 1.024 535 V CB -1.369 30.593 31.823 0.232 0.000 0.648 535 V HN 0.619 nan 8.190 nan 0.000 0.447 536 A N -0.213 122.643 122.820 0.061 0.000 1.908 536 A HA -0.226 4.089 4.320 -0.007 0.000 0.218 536 A C 2.180 179.762 177.584 -0.003 0.000 1.181 536 A CA 2.262 54.313 52.037 0.023 0.000 0.627 536 A CB -0.604 18.394 19.000 -0.004 0.000 0.818 536 A HN 0.458 nan 8.150 nan 0.000 0.445 537 L N -0.371 120.831 121.223 -0.036 0.000 2.056 537 L HA -0.081 4.254 4.340 -0.007 0.000 0.207 537 L C 2.462 179.331 176.870 -0.002 0.000 1.078 537 L CA 2.758 57.564 54.840 -0.056 0.000 0.749 537 L CB -1.133 40.842 42.059 -0.140 0.000 0.901 537 L HN 0.373 nan 8.230 nan 0.000 0.433 538 T N -0.564 114.011 114.554 0.036 0.000 2.652 538 T HA -0.306 4.039 4.350 -0.007 0.000 0.267 538 T C 1.730 176.456 174.700 0.043 0.000 1.039 538 T CA 1.942 64.078 62.100 0.060 0.000 1.153 538 T CB -0.283 68.644 68.868 0.099 0.000 0.863 538 T HN 0.534 nan 8.240 nan 0.000 0.428 539 Q N 0.849 120.669 119.800 0.034 0.000 2.061 539 Q HA -0.192 4.143 4.340 -0.007 0.000 0.204 539 Q C 2.352 178.363 176.000 0.018 0.000 0.984 539 Q CA 1.688 57.502 55.803 0.017 0.000 0.846 539 Q CB -0.140 28.608 28.738 0.016 0.000 0.902 539 Q HN 0.431 nan 8.270 nan 0.000 0.421 540 K N 0.077 120.486 120.400 0.015 0.000 2.032 540 K HA -0.156 4.160 4.320 -0.007 0.000 0.209 540 K C 2.217 178.832 176.600 0.025 0.000 1.048 540 K CA 1.518 57.814 56.287 0.015 0.000 0.927 540 K CB -0.152 32.349 32.500 0.001 0.000 0.712 540 K HN 0.257 nan 8.250 nan 0.000 0.441 541 L N 0.670 121.908 121.223 0.024 0.000 2.046 541 L HA -0.200 4.135 4.340 -0.007 0.000 0.208 541 L C 2.377 179.277 176.870 0.049 0.000 1.077 541 L CA 1.165 56.027 54.840 0.037 0.000 0.747 541 L CB -0.384 41.697 42.059 0.037 0.000 0.896 541 L HN 0.250 nan 8.230 nan 0.000 0.432 542 I N -0.603 119.993 120.570 0.043 0.000 2.208 542 I HA -0.294 3.872 4.170 -0.007 0.000 0.245 542 I C 2.490 178.631 176.117 0.040 0.000 1.097 542 I CA 1.539 62.864 61.300 0.043 0.000 1.363 542 I CB -0.526 37.494 38.000 0.034 0.000 1.051 542 I HN 0.283 nan 8.210 nan 0.000 0.413 543 T N 1.192 115.766 114.554 0.033 0.000 2.746 543 T HA -0.111 4.234 4.350 -0.007 0.000 0.267 543 T C 1.917 176.645 174.700 0.047 0.000 1.039 543 T CA 1.319 63.435 62.100 0.028 0.000 1.142 543 T CB -0.231 68.649 68.868 0.021 0.000 0.866 543 T HN 0.248 nan 8.240 nan 0.000 0.444 544 I N 0.613 121.230 120.570 0.079 0.000 2.179 544 I HA -0.186 3.979 4.170 -0.007 0.000 0.242 544 I C 2.837 179.070 176.117 0.194 0.000 1.088 544 I CA 1.324 62.716 61.300 0.154 0.000 1.357 544 I CB -0.390 37.694 38.000 0.141 0.000 1.051 544 I HN 0.133 nan 8.210 nan 0.000 0.409 545 R N 1.370 121.945 120.500 0.125 0.000 2.073 545 R HA -0.174 4.161 4.340 -0.007 0.000 0.234 545 R C 1.912 178.267 176.300 0.091 0.000 1.134 545 R CA 2.066 58.235 56.100 0.115 0.000 0.952 545 R CB -0.282 30.061 30.300 0.071 0.000 0.850 545 R HN 0.422 nan 8.270 nan 0.000 0.433 546 N N -0.102 118.630 118.700 0.053 0.000 2.443 546 N HA -0.177 4.558 4.740 -0.007 0.000 0.184 546 N C 1.658 177.153 175.510 -0.024 0.000 1.037 546 N CA 0.660 53.722 53.050 0.021 0.000 0.896 546 N CB 0.074 38.571 38.487 0.016 0.000 0.959 546 N HN 0.357 nan 8.380 nan 0.000 0.442 547 Q N -0.277 119.492 119.800 -0.051 0.000 2.269 547 Q HA -0.011 4.324 4.340 -0.007 0.000 0.201 547 Q C -0.596 175.126 176.000 -0.462 0.000 0.946 547 Q CA 0.737 56.379 55.803 -0.270 0.000 0.877 547 Q CB 0.416 28.938 28.738 -0.360 0.000 0.963 547 Q HN 0.364 nan 8.270 nan 0.000 0.472 548 Y N -0.817 119.490 120.300 0.012 0.000 2.338 548 Y HA 0.312 4.858 4.550 -0.006 0.000 0.328 548 Y C -1.986 173.919 175.900 0.007 0.000 0.965 548 Y CA -2.606 55.501 58.100 0.012 0.000 1.208 548 Y CB 1.670 40.141 38.460 0.018 0.000 1.132 548 Y HN 0.066 nan 8.280 nan 0.000 0.469 549 P HA -0.243 nan 4.420 nan 0.000 0.218 549 P C 1.388 178.728 177.300 0.066 0.000 1.148 549 P CA 2.084 65.220 63.100 0.059 0.000 0.822 549 P CB 0.346 32.062 31.700 0.027 0.000 0.784 550 A N -0.711 122.171 122.820 0.104 0.000 1.978 550 A HA -0.182 4.134 4.320 -0.007 0.000 0.220 550 A C 2.074 179.702 177.584 0.072 0.000 1.170 550 A CA 1.433 53.516 52.037 0.076 0.000 0.636 550 A CB -1.585 17.474 19.000 0.099 0.000 0.810 550 A HN 0.177 nan 8.150 nan 0.000 0.448 551 L N -2.050 119.230 121.223 0.095 0.000 2.313 551 L HA -0.058 4.278 4.340 -0.007 0.000 0.214 551 L C 2.721 179.616 176.870 0.041 0.000 1.119 551 L CA 0.913 55.801 54.840 0.081 0.000 0.809 551 L CB -0.220 41.898 42.059 0.099 0.000 0.933 551 L HN 0.284 nan 8.230 nan 0.000 0.449 552 R N -0.596 119.918 120.500 0.022 0.000 2.087 552 R HA 0.010 4.346 4.340 -0.007 0.000 0.216 552 R C 1.683 177.952 176.300 -0.051 0.000 1.114 552 R CA 1.522 57.607 56.100 -0.024 0.000 1.002 552 R CB -0.092 30.195 30.300 -0.022 0.000 0.903 552 R HN 0.279 nan 8.270 nan 0.000 0.445 553 T N -3.020 111.513 114.554 -0.035 0.000 3.170 553 T HA 0.368 4.713 4.350 -0.007 0.000 0.288 553 T C 0.680 175.356 174.700 -0.041 0.000 0.992 553 T CA -0.314 61.755 62.100 -0.050 0.000 0.909 553 T CB 0.848 69.681 68.868 -0.058 0.000 1.133 553 T HN 0.178 nan 8.240 nan 0.000 0.530 554 G N 1.033 109.819 108.800 -0.024 0.000 2.557 554 G HA2 0.526 4.481 3.960 -0.007 0.000 0.292 554 G HA3 0.526 4.481 3.960 -0.007 0.000 0.292 554 G C -0.186 174.677 174.900 -0.061 0.000 1.237 554 G CA -0.591 44.476 45.100 -0.054 0.000 0.978 554 G HN 0.336 nan 8.290 nan 0.000 0.498 555 S N -1.274 114.298 115.700 -0.213 0.000 2.596 555 S HA 0.410 4.876 4.470 -0.007 0.000 0.260 555 S C -0.877 173.756 174.600 0.055 0.000 1.336 555 S CA 0.164 58.269 58.200 -0.159 0.000 0.993 555 S CB 0.734 63.633 63.200 -0.503 0.000 0.923 555 S HN 0.448 nan 8.310 nan 0.000 0.567 556 F N 1.773 121.811 119.950 0.146 0.000 2.562 556 F HA 0.606 5.129 4.527 -0.008 0.000 0.319 556 F C -0.716 175.304 175.800 0.367 0.000 1.154 556 F CA -0.693 57.456 58.000 0.249 0.000 0.931 556 F CB 1.097 40.182 39.000 0.141 0.000 1.198 556 F HN 0.453 nan 8.300 nan 0.000 0.444 557 M N 5.750 125.394 119.600 0.073 0.000 2.327 557 M HA 0.397 4.872 4.480 -0.007 0.000 0.298 557 M C -1.104 175.136 176.300 -0.100 0.000 1.065 557 M CA -0.293 55.036 55.300 0.049 0.000 0.916 557 M CB 1.961 34.330 32.600 -0.386 0.000 1.630 557 M HN 0.627 nan 8.290 nan 0.000 0.442 558 T N 5.315 119.963 114.554 0.157 0.000 2.901 558 T HA 0.288 4.633 4.350 -0.007 0.000 0.301 558 T C 1.001 175.721 174.700 0.034 0.000 1.012 558 T CA -0.111 62.088 62.100 0.165 0.000 1.135 558 T CB 0.704 69.778 68.868 0.343 0.000 0.936 558 T HN 0.663 nan 8.240 nan 0.000 0.539 559 L N 2.386 123.602 121.223 -0.012 0.000 2.526 559 L HA 0.482 4.817 4.340 -0.007 0.000 0.210 559 L C 0.241 177.126 176.870 0.024 0.000 1.048 559 L CA 0.385 55.183 54.840 -0.071 0.000 0.852 559 L CB 0.329 42.282 42.059 -0.176 0.000 1.128 559 L HN 0.495 nan 8.230 nan 0.000 0.482 560 I N -0.174 120.456 120.570 0.099 0.000 2.656 560 I HA 0.240 4.405 4.170 -0.007 0.000 0.292 560 I C -0.816 175.477 176.117 0.293 0.000 1.144 560 I CA -0.309 61.086 61.300 0.158 0.000 1.038 560 I CB 2.414 40.483 38.000 0.115 0.000 1.244 560 I HN -0.060 nan 8.210 nan 0.000 0.420 561 T N -0.383 114.313 114.554 0.236 0.000 3.209 561 T HA 0.272 4.617 4.350 -0.007 0.000 0.366 561 T C -0.962 173.833 174.700 0.158 0.000 1.293 561 T CA -0.671 61.565 62.100 0.227 0.000 1.417 561 T CB 0.494 69.468 68.868 0.177 0.000 1.013 561 T HN 0.438 nan 8.240 nan 0.000 0.572 562 D N 2.039 122.535 120.400 0.160 0.000 2.467 562 D HA 0.270 4.906 4.640 -0.007 0.000 0.220 562 D C 0.395 176.757 176.300 0.102 0.000 1.103 562 D CA -0.560 53.503 54.000 0.105 0.000 0.886 562 D CB 1.019 41.860 40.800 0.068 0.000 1.025 562 D HN 0.307 nan 8.370 nan 0.000 0.514 563 D N 1.778 122.233 120.400 0.092 0.000 2.269 563 D HA -0.090 4.546 4.640 -0.007 0.000 0.208 563 D C 1.496 177.831 176.300 0.059 0.000 0.963 563 D CA 0.811 54.866 54.000 0.091 0.000 0.864 563 D CB 0.349 41.198 40.800 0.081 0.000 0.936 563 D HN 0.400 nan 8.370 nan 0.000 0.505 564 T N 0.989 115.564 114.554 0.035 0.000 2.668 564 T HA -0.075 4.271 4.350 -0.007 0.000 0.262 564 T C 1.505 176.195 174.700 -0.016 0.000 1.045 564 T CA 0.841 62.948 62.100 0.012 0.000 1.152 564 T CB -0.051 68.818 68.868 0.002 0.000 0.864 564 T HN 0.113 nan 8.240 nan 0.000 0.419 565 N N 0.859 119.505 118.700 -0.089 0.000 2.412 565 N HA 0.071 4.806 4.740 -0.007 0.000 0.184 565 N C -0.127 175.323 175.510 -0.100 0.000 1.101 565 N CA 0.228 53.113 53.050 -0.274 0.000 0.881 565 N CB 0.147 38.237 38.487 -0.662 0.000 0.969 565 N HN 0.467 nan 8.380 nan 0.000 0.459 566 K N 0.563 120.979 120.400 0.028 0.000 3.162 566 K HA -0.130 4.185 4.320 -0.007 0.000 0.268 566 K C -0.837 175.890 176.600 0.212 0.000 1.062 566 K CA 0.495 56.859 56.287 0.129 0.000 0.769 566 K CB -1.223 31.320 32.500 0.071 0.000 1.274 566 K HN 0.143 nan 8.250 nan 0.000 0.478 567 I N 1.074 121.764 120.570 0.201 0.000 2.354 567 I HA 0.254 4.420 4.170 -0.007 0.000 0.292 567 I C -0.023 176.331 176.117 0.395 0.000 0.989 567 I CA -0.424 61.033 61.300 0.262 0.000 1.188 567 I CB 0.998 39.078 38.000 0.133 0.000 1.342 567 I HN 0.127 nan 8.210 nan 0.000 0.457 568 Y N 4.898 125.382 120.300 0.307 0.000 2.331 568 Y HA 0.463 5.008 4.550 -0.007 0.000 0.334 568 Y C -0.287 175.758 175.900 0.242 0.000 0.960 568 Y CA -0.402 57.871 58.100 0.288 0.000 1.130 568 Y CB 1.608 40.258 38.460 0.315 0.000 1.164 568 Y HN 0.603 nan 8.280 nan 0.000 0.458 569 S N 6.371 122.092 115.700 0.034 0.000 2.557 569 S HA 0.615 5.081 4.470 -0.007 0.000 0.291 569 S C -1.653 172.772 174.600 -0.293 0.000 1.116 569 S CA -0.383 57.690 58.200 -0.212 0.000 0.992 569 S CB 0.581 63.715 63.200 -0.110 0.000 1.028 569 S HN 0.683 nan 8.310 nan 0.000 0.484 570 Y N 0.828 120.851 120.300 -0.462 0.000 2.609 570 Y HA 0.897 5.442 4.550 -0.008 0.000 0.342 570 Y C 0.008 175.620 175.900 -0.480 0.000 1.058 570 Y CA -1.281 56.480 58.100 -0.564 0.000 1.055 570 Y CB 0.812 38.754 38.460 -0.864 0.000 1.292 570 Y HN 0.692 nan 8.280 nan 0.000 0.476 571 G N 1.569 110.152 108.800 -0.362 0.000 2.513 571 G HA2 0.643 4.599 3.960 -0.007 0.000 0.317 571 G HA3 0.643 4.599 3.960 -0.007 0.000 0.317 571 G C -1.347 173.544 174.900 -0.014 0.000 1.277 571 G CA -1.271 43.668 45.100 -0.269 0.000 0.955 571 G HN 0.442 nan 8.290 nan 0.000 0.484 572 R N 1.180 121.735 120.500 0.091 0.000 2.343 572 R HA 0.577 4.913 4.340 -0.007 0.000 0.320 572 R C -0.961 175.539 176.300 0.333 0.000 0.956 572 R CA -0.728 55.501 56.100 0.216 0.000 0.836 572 R CB 0.822 31.198 30.300 0.127 0.000 1.151 572 R HN 0.658 nan 8.270 nan 0.000 0.450 573 F N -0.725 119.211 119.950 -0.023 0.000 2.668 573 F HA 0.662 5.184 4.527 -0.008 0.000 0.309 573 F C -0.802 175.006 175.800 0.012 0.000 1.117 573 F CA -1.169 56.817 58.000 -0.023 0.000 0.951 573 F CB 1.832 40.796 39.000 -0.060 0.000 1.323 573 F HN 0.413 nan 8.300 nan 0.000 0.451 574 D N -1.103 119.325 120.400 0.047 0.000 3.158 574 D HA 0.252 4.888 4.640 -0.007 0.000 0.314 574 D C -0.510 175.772 176.300 -0.030 0.000 1.308 574 D CA -0.748 53.211 54.000 -0.069 0.000 1.001 574 D CB 0.390 41.160 40.800 -0.051 0.000 1.389 574 D HN 0.572 nan 8.370 nan 0.000 0.595 575 N N -1.224 117.433 118.700 -0.073 0.000 2.289 575 N HA -0.053 4.682 4.740 -0.007 0.000 0.184 575 N C 1.513 177.009 175.510 -0.022 0.000 1.016 575 N CA 1.446 54.451 53.050 -0.074 0.000 0.872 575 N CB 0.292 38.722 38.487 -0.095 0.000 0.973 575 N HN 0.354 nan 8.380 nan 0.000 0.433 576 V N -3.859 116.060 119.914 0.008 0.000 3.612 576 V HA 0.328 4.444 4.120 -0.007 0.000 0.268 576 V C -0.153 175.984 176.094 0.071 0.000 1.365 576 V CA -0.066 62.254 62.300 0.033 0.000 1.044 576 V CB 0.036 31.876 31.823 0.028 0.000 0.820 576 V HN 0.038 nan 8.190 nan 0.000 0.444 577 N N 0.401 119.155 118.700 0.090 0.000 2.229 577 N HA 0.736 5.471 4.740 -0.007 0.000 0.298 577 N C -1.179 174.393 175.510 0.103 0.000 1.114 577 N CA -0.598 52.519 53.050 0.111 0.000 0.776 577 N CB 2.129 40.726 38.487 0.182 0.000 1.501 577 N HN 0.191 nan 8.380 nan 0.000 0.474 578 R N 1.539 122.067 120.500 0.047 0.000 2.451 578 R HA 0.566 4.901 4.340 -0.007 0.000 0.307 578 R C -1.085 175.167 176.300 -0.081 0.000 0.965 578 R CA -0.435 55.672 56.100 0.010 0.000 0.865 578 R CB 1.442 31.721 30.300 -0.035 0.000 1.174 578 R HN 0.470 nan 8.270 nan 0.000 0.455 579 I N 2.092 122.602 120.570 -0.100 0.000 2.447 579 I HA 0.456 4.622 4.170 -0.007 0.000 0.287 579 I C -0.365 175.632 176.117 -0.200 0.000 1.023 579 I CA -0.890 60.303 61.300 -0.179 0.000 1.083 579 I CB 2.170 40.035 38.000 -0.225 0.000 1.245 579 I HN 0.601 nan 8.210 nan 0.000 0.434 580 A N 6.776 129.464 122.820 -0.219 0.000 2.249 580 A HA 0.717 5.033 4.320 -0.007 0.000 0.314 580 A C -0.526 176.882 177.584 -0.293 0.000 1.290 580 A CA -0.459 51.418 52.037 -0.267 0.000 0.893 580 A CB 0.854 19.718 19.000 -0.226 0.000 1.165 580 A HN 0.456 nan 8.150 nan 0.000 0.530 581 V N 3.471 123.112 119.914 -0.454 0.000 2.427 581 V HA 0.413 4.529 4.120 -0.007 0.000 0.286 581 V C -0.248 175.573 176.094 -0.454 0.000 1.034 581 V CA -0.367 61.630 62.300 -0.505 0.000 0.893 581 V CB 1.506 32.809 31.823 -0.867 0.000 0.982 581 V HN 0.600 nan 8.190 nan 0.000 0.452 582 V N 6.777 126.558 119.914 -0.222 0.000 2.407 582 V HA 0.482 4.597 4.120 -0.007 0.000 0.291 582 V C -0.307 175.816 176.094 0.047 0.000 1.018 582 V CA -0.412 61.834 62.300 -0.090 0.000 0.842 582 V CB 1.509 33.303 31.823 -0.049 0.000 0.996 582 V HN 0.629 nan 8.190 nan 0.000 0.426 583 L N 4.210 125.534 121.223 0.169 0.000 2.317 583 L HA 0.627 4.963 4.340 -0.007 0.000 0.281 583 L C -0.090 176.991 176.870 0.352 0.000 1.024 583 L CA -0.499 54.537 54.840 0.328 0.000 0.810 583 L CB 1.799 44.201 42.059 0.573 0.000 1.240 583 L HN 0.514 nan 8.230 nan 0.000 0.427 584 N N 2.261 121.140 118.700 0.299 0.000 2.476 584 N HA 0.134 4.870 4.740 -0.007 0.000 0.257 584 N C -0.327 175.267 175.510 0.141 0.000 0.970 584 N CA -0.082 53.112 53.050 0.239 0.000 0.938 584 N CB 1.162 39.782 38.487 0.222 0.000 1.144 584 N HN 0.672 nan 8.380 nan 0.000 0.500 585 N N 2.470 121.198 118.700 0.047 0.000 2.270 585 N HA -0.040 4.696 4.740 -0.007 0.000 0.198 585 N C -0.447 174.871 175.510 -0.320 0.000 1.117 585 N CA -0.275 52.636 53.050 -0.231 0.000 0.845 585 N CB 0.382 38.478 38.487 -0.651 0.000 0.980 585 N HN 0.522 nan 8.380 nan 0.000 0.486 586 D N -0.480 119.779 120.400 -0.235 0.000 2.433 586 D HA 0.095 4.731 4.640 -0.007 0.000 0.255 586 D C 0.955 176.906 176.300 -0.583 0.000 1.226 586 D CA -0.083 53.759 54.000 -0.264 0.000 1.015 586 D CB 1.400 42.221 40.800 0.033 0.000 1.091 586 D HN 0.152 nan 8.370 nan 0.000 0.527 587 S N -1.252 114.208 115.700 -0.400 0.000 2.540 587 S HA 0.249 4.714 4.470 -0.007 0.000 0.218 587 S C 0.602 175.016 174.600 -0.311 0.000 0.977 587 S CA -0.184 57.782 58.200 -0.389 0.000 0.918 587 S CB -0.482 62.586 63.200 -0.221 0.000 0.806 587 S HN 0.342 nan 8.310 nan 0.000 0.496 588 V N -1.860 117.871 119.914 -0.304 0.000 3.155 588 V HA 0.802 4.917 4.120 -0.007 0.000 0.313 588 V C 0.058 175.909 176.094 -0.405 0.000 1.162 588 V CA -0.925 61.181 62.300 -0.324 0.000 1.048 588 V CB 1.201 32.843 31.823 -0.301 0.000 1.092 588 V HN 0.155 nan 8.190 nan 0.000 0.447 589 S N -0.200 115.289 115.700 -0.352 0.000 2.603 589 S HA 0.576 5.042 4.470 -0.007 0.000 0.268 589 S C -0.608 173.730 174.600 -0.436 0.000 1.317 589 S CA 0.010 58.049 58.200 -0.268 0.000 1.012 589 S CB -0.044 63.081 63.200 -0.126 0.000 0.926 589 S HN 0.997 nan 8.310 nan 0.000 0.539 590 H N -0.123 118.960 119.070 0.022 0.000 3.029 590 H HA 0.304 4.856 4.556 -0.007 0.000 0.358 590 H C -1.013 174.338 175.328 0.038 0.000 1.129 590 H CA -0.746 55.319 56.048 0.028 0.000 1.230 590 H CB 1.848 31.629 29.762 0.032 0.000 1.827 590 H HN 0.501 nan 8.280 nan 0.000 0.530 591 T N 3.414 118.072 114.554 0.175 0.000 2.744 591 T HA 0.357 4.703 4.350 -0.007 0.000 0.291 591 T C -0.296 174.451 174.700 0.079 0.000 0.957 591 T CA -0.582 61.578 62.100 0.100 0.000 1.002 591 T CB 0.421 69.335 68.868 0.076 0.000 0.919 591 T HN 0.152 nan 8.240 nan 0.000 0.468 592 V N 4.515 124.459 119.914 0.049 0.000 2.513 592 V HA 0.413 4.529 4.120 -0.007 0.000 0.299 592 V C 0.000 176.096 176.094 0.004 0.000 1.035 592 V CA -1.190 61.128 62.300 0.029 0.000 0.889 592 V CB 1.777 33.618 31.823 0.030 0.000 0.988 592 V HN 0.735 nan 8.190 nan 0.000 0.440 593 N N 2.994 121.705 118.700 0.019 0.000 2.500 593 N HA 0.300 5.035 4.740 -0.007 0.000 0.236 593 N C -0.544 174.980 175.510 0.024 0.000 1.022 593 N CA -0.141 52.923 53.050 0.024 0.000 0.935 593 N CB 1.669 40.186 38.487 0.049 0.000 1.147 593 N HN 0.453 nan 8.380 nan 0.000 0.512 594 V N 4.384 124.292 119.914 -0.009 0.000 2.427 594 V HA 0.185 4.300 4.120 -0.007 0.000 0.268 594 V C -1.552 174.538 176.094 -0.006 0.000 1.046 594 V CA -1.310 60.970 62.300 -0.033 0.000 0.970 594 V CB 1.075 32.847 31.823 -0.086 0.000 1.001 594 V HN 0.451 nan 8.190 nan 0.000 0.476 595 P HA 0.032 nan 4.420 nan 0.000 0.232 595 P C 0.999 178.122 177.300 -0.295 0.000 1.738 595 P CA 0.074 63.148 63.100 -0.042 0.000 0.948 595 P CB 0.271 31.916 31.700 -0.092 0.000 1.943 596 V N -2.028 117.825 119.914 -0.102 0.000 3.284 596 V HA -0.144 3.972 4.120 -0.007 0.000 0.273 596 V C 1.878 177.927 176.094 -0.074 0.000 1.178 596 V CA 0.542 62.762 62.300 -0.134 0.000 1.177 596 V CB -1.705 30.087 31.823 -0.052 0.000 0.793 596 V HN 0.412 nan 8.190 nan 0.000 0.536 597 W N -0.311 121.007 121.300 0.030 0.000 2.595 597 W HA 0.029 4.684 4.660 -0.007 0.000 0.257 597 W C 1.670 178.299 176.519 0.184 0.000 1.267 597 W CA 0.536 57.941 57.345 0.101 0.000 1.300 597 W CB -0.935 28.590 29.460 0.108 0.000 1.120 597 W HN 0.295 nan 8.180 nan 0.000 0.618 598 Q N 1.294 120.692 119.800 -0.671 0.000 2.291 598 Q HA -0.006 4.329 4.340 -0.007 0.000 0.205 598 Q C 2.092 177.756 176.000 -0.559 0.000 0.970 598 Q CA 1.071 56.473 55.803 -0.667 0.000 0.876 598 Q CB -0.236 27.988 28.738 -0.857 0.000 0.935 598 Q HN 0.499 nan 8.270 nan 0.000 0.455 599 L N -0.346 120.578 121.223 -0.498 0.000 2.628 599 L HA 0.138 4.474 4.340 -0.007 0.000 0.229 599 L C 0.298 177.002 176.870 -0.276 0.000 1.137 599 L CA -0.132 54.322 54.840 -0.643 0.000 0.909 599 L CB 0.220 41.898 42.059 -0.634 0.000 1.137 599 L HN -0.072 nan 8.230 nan 0.000 0.470 600 S N 0.659 116.335 115.700 -0.040 0.000 3.698 600 S HA -0.167 4.298 4.470 -0.007 0.000 0.338 600 S C 0.459 175.124 174.600 0.107 0.000 1.089 600 S CA 0.585 58.878 58.200 0.154 0.000 0.991 600 S CB -1.145 62.157 63.200 0.169 0.000 0.909 600 S HN 0.398 nan 8.310 nan 0.000 0.485 601 M N 1.604 121.248 119.600 0.072 0.000 2.156 601 M HA 0.191 4.666 4.480 -0.007 0.000 0.345 601 M C -2.216 174.146 176.300 0.104 0.000 1.398 601 M CA -1.491 53.846 55.300 0.061 0.000 1.148 601 M CB 0.150 32.765 32.600 0.025 0.000 1.663 601 M HN -0.069 nan 8.290 nan 0.000 0.464 602 P HA -0.009 nan 4.420 nan 0.000 0.267 602 P C -0.765 176.585 177.300 0.083 0.000 1.200 602 P CA 0.234 63.390 63.100 0.093 0.000 0.772 602 P CB 0.361 32.107 31.700 0.077 0.000 0.855 603 N N 1.080 119.827 118.700 0.079 0.000 2.492 603 N HA 0.246 4.982 4.740 -0.007 0.000 0.260 603 N C 1.358 176.901 175.510 0.055 0.000 1.215 603 N CA 0.880 53.969 53.050 0.066 0.000 0.923 603 N CB 0.094 38.612 38.487 0.051 0.000 1.092 603 N HN 0.699 nan 8.380 nan 0.000 0.448 604 G N 0.353 109.184 108.800 0.053 0.000 2.284 604 G HA2 -0.349 3.606 3.960 -0.007 0.000 0.247 604 G HA3 -0.349 3.606 3.960 -0.007 0.000 0.247 604 G C 0.285 175.214 174.900 0.049 0.000 1.012 604 G CA 0.469 45.597 45.100 0.046 0.000 0.618 604 G HN 0.759 nan 8.290 nan 0.000 0.521 605 S N -0.069 115.664 115.700 0.055 0.000 2.593 605 S HA 0.600 5.066 4.470 -0.007 0.000 0.269 605 S C 0.251 174.887 174.600 0.061 0.000 1.334 605 S CA 0.949 59.181 58.200 0.054 0.000 1.015 605 S CB 1.869 65.103 63.200 0.056 0.000 0.912 605 S HN 1.514 nan 8.310 nan 0.000 0.541 606 T N 0.273 114.862 114.554 0.059 0.000 2.925 606 T HA 0.614 4.959 4.350 -0.007 0.000 0.285 606 T C -0.659 174.086 174.700 0.075 0.000 1.021 606 T CA -0.639 61.503 62.100 0.069 0.000 1.042 606 T CB 1.204 70.104 68.868 0.053 0.000 1.037 606 T HN 0.785 nan 8.240 nan 0.000 0.481 607 V N 2.467 122.443 119.914 0.103 0.000 3.046 607 V HA 0.850 4.965 4.120 -0.007 0.000 0.316 607 V C -0.779 175.397 176.094 0.137 0.000 1.104 607 V CA -0.393 61.969 62.300 0.104 0.000 1.006 607 V CB 2.712 34.595 31.823 0.100 0.000 1.058 607 V HN 1.154 nan 8.190 nan 0.000 0.440 608 T N 2.353 116.979 114.554 0.119 0.000 2.928 608 T HA 0.263 4.608 4.350 -0.007 0.000 0.296 608 T C -1.268 173.513 174.700 0.134 0.000 1.000 608 T CA -0.316 61.861 62.100 0.128 0.000 0.989 608 T CB 1.183 70.105 68.868 0.091 0.000 1.005 608 T HN 0.745 nan 8.240 nan 0.000 0.442 609 D N 3.070 123.593 120.400 0.206 0.000 2.416 609 D HA 0.108 4.744 4.640 -0.007 0.000 0.240 609 D C 1.188 177.543 176.300 0.091 0.000 1.250 609 D CA -0.381 53.719 54.000 0.167 0.000 0.967 609 D CB 0.561 41.530 40.800 0.282 0.000 1.059 609 D HN 0.185 nan 8.370 nan 0.000 0.512 610 K N 3.038 123.474 120.400 0.060 0.000 2.442 610 K HA -0.101 4.215 4.320 -0.007 0.000 0.200 610 K C 1.425 178.049 176.600 0.041 0.000 1.045 610 K CA 0.609 56.934 56.287 0.065 0.000 0.937 610 K CB 0.162 32.715 32.500 0.087 0.000 0.757 610 K HN 0.613 nan 8.250 nan 0.000 0.474 611 I N 0.503 121.090 120.570 0.028 0.000 3.427 611 I HA -0.107 4.059 4.170 -0.007 0.000 0.288 611 I C 1.670 177.790 176.117 0.004 0.000 1.249 611 I CA 1.068 62.376 61.300 0.014 0.000 1.421 611 I CB 0.037 38.035 38.000 -0.004 0.000 1.086 611 I HN 0.182 nan 8.210 nan 0.000 0.448 612 T N -4.403 110.130 114.554 -0.035 0.000 2.969 612 T HA 0.339 4.685 4.350 -0.007 0.000 0.258 612 T C 1.512 176.077 174.700 -0.224 0.000 0.962 612 T CA 0.564 62.549 62.100 -0.192 0.000 0.903 612 T CB 1.095 69.727 68.868 -0.393 0.000 1.177 612 T HN 0.324 nan 8.240 nan 0.000 0.511 613 G N 1.432 110.193 108.800 -0.067 0.000 2.241 613 G HA2 -0.252 3.704 3.960 -0.007 0.000 0.244 613 G HA3 -0.252 3.704 3.960 -0.007 0.000 0.244 613 G C -0.002 174.938 174.900 0.066 0.000 0.998 613 G CA 0.134 45.236 45.100 0.003 0.000 0.621 613 G HN 0.815 nan 8.290 nan 0.000 0.519 614 H N 1.685 120.745 119.070 -0.016 0.000 2.964 614 H HA 0.423 4.975 4.556 -0.007 0.000 0.328 614 H C 0.931 176.080 175.328 -0.299 0.000 1.030 614 H CA 0.439 56.393 56.048 -0.156 0.000 1.445 614 H CB 0.829 30.517 29.762 -0.123 0.000 1.449 614 H HN 0.445 nan 8.280 nan 0.000 0.581 615 S N 3.526 119.048 115.700 -0.296 0.000 2.638 615 S HA 0.475 4.940 4.470 -0.007 0.000 0.298 615 S C -1.122 173.101 174.600 -0.627 0.000 1.111 615 S CA -0.652 57.377 58.200 -0.285 0.000 1.027 615 S CB 1.104 64.244 63.200 -0.100 0.000 1.064 615 S HN 0.510 nan 8.310 nan 0.000 0.525 616 Y N -0.382 119.949 120.300 0.051 0.000 2.609 616 Y HA 0.572 5.117 4.550 -0.007 0.000 0.342 616 Y C 0.226 176.146 175.900 0.034 0.000 1.058 616 Y CA -0.891 57.234 58.100 0.041 0.000 1.055 616 Y CB 2.185 40.671 38.460 0.043 0.000 1.292 616 Y HN 0.676 nan 8.280 nan 0.000 0.476 617 T N 1.604 116.279 114.554 0.201 0.000 2.807 617 T HA 0.467 4.813 4.350 -0.007 0.000 0.279 617 T C -0.858 173.912 174.700 0.116 0.000 0.993 617 T CA -0.691 61.483 62.100 0.122 0.000 0.970 617 T CB 1.192 70.109 68.868 0.082 0.000 0.950 617 T HN 0.317 nan 8.240 nan 0.000 0.441 618 V N 4.777 124.747 119.914 0.094 0.000 2.508 618 V HA 0.313 4.429 4.120 -0.007 0.000 0.281 618 V C -0.127 176.012 176.094 0.075 0.000 1.041 618 V CA -0.172 62.179 62.300 0.086 0.000 1.016 618 V CB 0.764 32.637 31.823 0.083 0.000 0.984 618 V HN 0.725 nan 8.190 nan 0.000 0.478 619 Q N 3.721 123.564 119.800 0.073 0.000 2.271 619 Q HA 0.380 4.716 4.340 -0.007 0.000 0.268 619 Q C -0.272 175.760 176.000 0.053 0.000 1.021 619 Q CA -0.629 55.208 55.803 0.056 0.000 0.802 619 Q CB 1.781 30.549 28.738 0.050 0.000 1.282 619 Q HN 0.806 nan 8.270 nan 0.000 0.431 620 N N 1.391 120.112 118.700 0.035 0.000 2.696 620 N HA -0.221 4.515 4.740 -0.007 0.000 0.256 620 N C 0.702 176.237 175.510 0.042 0.000 1.031 620 N CA 1.216 54.272 53.050 0.010 0.000 0.730 620 N CB -0.810 37.675 38.487 -0.004 0.000 0.894 620 N HN 1.105 nan 8.380 nan 0.000 0.544 621 G N -1.376 107.482 108.800 0.096 0.000 2.219 621 G HA2 -0.359 3.596 3.960 -0.007 0.000 0.271 621 G HA3 -0.359 3.596 3.960 -0.007 0.000 0.271 621 G C 0.335 175.427 174.900 0.320 0.000 0.991 621 G CA 1.417 46.668 45.100 0.252 0.000 0.685 621 G HN 0.446 nan 8.290 nan 0.000 0.531 622 M N -0.923 118.786 119.600 0.181 0.000 2.777 622 M HA 0.765 5.241 4.480 -0.007 0.000 0.307 622 M C -0.267 176.080 176.300 0.079 0.000 1.228 622 M CA -1.149 54.236 55.300 0.143 0.000 0.871 622 M CB 1.995 34.665 32.600 0.118 0.000 1.721 622 M HN 0.052 nan 8.290 nan 0.000 0.487 623 V N 0.736 120.671 119.914 0.035 0.000 2.577 623 V HA 0.278 4.393 4.120 -0.007 0.000 0.294 623 V C -0.606 175.441 176.094 -0.078 0.000 1.052 623 V CA -0.679 61.613 62.300 -0.014 0.000 0.891 623 V CB 1.966 33.765 31.823 -0.041 0.000 1.017 623 V HN 0.916 nan 8.190 nan 0.000 0.436 624 T N 4.498 119.011 114.554 -0.067 0.000 2.749 624 T HA 0.526 4.871 4.350 -0.007 0.000 0.295 624 T C -0.382 174.194 174.700 -0.207 0.000 0.936 624 T CA -0.045 62.009 62.100 -0.076 0.000 1.060 624 T CB 1.370 70.239 68.868 0.001 0.000 0.904 624 T HN 0.490 nan 8.240 nan 0.000 0.500 625 V N 2.917 122.710 119.914 -0.201 0.000 2.760 625 V HA 0.797 4.913 4.120 -0.007 0.000 0.309 625 V C -0.776 175.294 176.094 -0.040 0.000 1.077 625 V CA -0.918 61.229 62.300 -0.256 0.000 0.910 625 V CB 1.728 33.299 31.823 -0.419 0.000 1.008 625 V HN 1.020 nan 8.190 nan 0.000 0.424 626 A N 5.965 128.812 122.820 0.045 0.000 2.301 626 A HA 0.796 5.112 4.320 -0.007 0.000 0.298 626 A C -0.805 176.858 177.584 0.131 0.000 1.185 626 A CA -0.367 51.727 52.037 0.095 0.000 0.830 626 A CB 1.029 20.093 19.000 0.107 0.000 1.112 626 A HN 1.128 nan 8.150 nan 0.000 0.508 627 V N 3.529 123.528 119.914 0.141 0.000 2.577 627 V HA 0.246 4.361 4.120 -0.007 0.000 0.303 627 V C -0.758 175.441 176.094 0.176 0.000 1.042 627 V CA -0.951 61.466 62.300 0.194 0.000 0.872 627 V CB 1.728 33.672 31.823 0.201 0.000 0.998 627 V HN 0.977 nan 8.190 nan 0.000 0.423 628 D N 2.397 122.920 120.400 0.205 0.000 2.362 628 D HA 0.372 5.007 4.640 -0.007 0.000 0.238 628 D C 0.816 177.189 176.300 0.121 0.000 1.212 628 D CA 0.333 54.399 54.000 0.110 0.000 0.902 628 D CB 0.471 41.345 40.800 0.124 0.000 1.180 628 D HN 0.771 nan 8.370 nan 0.000 0.445 629 G N -0.942 107.815 108.800 -0.072 0.000 2.441 629 G HA2 0.155 4.110 3.960 -0.007 0.000 0.243 629 G HA3 0.155 4.110 3.960 -0.007 0.000 0.243 629 G C -0.397 174.549 174.900 0.076 0.000 1.281 629 G CA -0.302 44.719 45.100 -0.132 0.000 0.854 629 G HN 0.805 nan 8.290 nan 0.000 0.560 630 H N -1.079 118.085 119.070 0.157 0.000 2.677 630 H HA -0.209 4.342 4.556 -0.007 0.000 0.321 630 H C -0.395 175.290 175.328 0.596 0.000 1.171 630 H CA 1.229 57.437 56.048 0.266 0.000 1.139 630 H CB -1.487 28.407 29.762 0.220 0.000 1.515 630 H HN 0.672 nan 8.280 nan 0.000 0.423 631 Y N -1.476 119.070 120.300 0.410 0.000 2.905 631 Y HA 0.625 5.170 4.550 -0.008 0.000 0.322 631 Y C 0.134 176.204 175.900 0.283 0.000 1.455 631 Y CA -0.281 58.057 58.100 0.398 0.000 1.083 631 Y CB 1.994 40.733 38.460 0.465 0.000 1.473 631 Y HN 0.241 nan 8.280 nan 0.000 0.449 632 G N 0.245 109.054 108.800 0.016 0.000 2.623 632 G HA2 0.641 4.597 3.960 -0.007 0.000 0.290 632 G HA3 0.641 4.597 3.960 -0.007 0.000 0.290 632 G C -2.282 172.625 174.900 0.012 0.000 1.437 632 G CA -0.259 44.877 45.100 0.060 0.000 0.798 632 G HN 0.844 nan 8.290 nan 0.000 0.488 633 A N -0.499 122.338 122.820 0.027 0.000 2.365 633 A HA 0.751 5.067 4.320 -0.007 0.000 0.318 633 A C -0.785 176.771 177.584 -0.046 0.000 1.091 633 A CA -0.644 51.403 52.037 0.016 0.000 0.763 633 A CB 2.084 21.106 19.000 0.036 0.000 1.248 633 A HN 1.349 nan 8.150 nan 0.000 0.442 634 V N 3.823 123.713 119.914 -0.040 0.000 2.225 634 V HA 0.187 4.303 4.120 -0.007 0.000 0.264 634 V C -0.314 175.733 176.094 -0.078 0.000 1.067 634 V CA -0.068 62.181 62.300 -0.085 0.000 0.903 634 V CB 0.109 31.891 31.823 -0.069 0.000 1.136 634 V HN 0.714 nan 8.190 nan 0.000 0.456 635 L N 3.783 124.955 121.223 -0.085 0.000 2.565 635 L HA 0.513 4.848 4.340 -0.007 0.000 0.275 635 L C 0.729 177.534 176.870 -0.109 0.000 1.137 635 L CA 0.466 55.276 54.840 -0.050 0.000 0.915 635 L CB 0.100 42.121 42.059 -0.062 0.000 1.232 635 L HN 0.609 nan 8.230 nan 0.000 0.473 636 A N 4.745 127.499 122.820 -0.110 0.000 2.354 636 A HA 0.844 5.159 4.320 -0.007 0.000 0.321 636 A C -0.525 177.018 177.584 -0.068 0.000 1.125 636 A CA -0.475 51.437 52.037 -0.208 0.000 0.799 636 A CB 1.891 20.569 19.000 -0.538 0.000 1.293 636 A HN 0.741 nan 8.150 nan 0.000 0.452 637 Q N 0.000 119.771 119.800 -0.048 0.000 2.315 637 Q HA 0.000 4.336 4.340 -0.007 0.000 0.214 637 Q CA 0.000 55.830 55.803 0.045 0.000 1.022 637 Q CB 0.000 28.759 28.738 0.035 0.000 1.108 637 Q HN 0.000 nan 8.270 nan 0.000 0.481