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 2p6u_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKVEELAESI SSYAVGIXXX XXXXXLFPPQ AEAVEKVFSG KNLLLAMPTA DATA SEQUENCE AGKTLLAEMA MVREAIKGGK SLYVVPLRAL AGEKYESFKK WEKIGLRIGI DATA SEQUENCE STGDYESRDE HLGDCDIIVT TSEKADSLIR NRASWIKAVS CLVVDEIHLL DATA SEQUENCE DSEKRGATLE ILVTKMRRMN KALRVIGLSA TAPNVTEIAE WLDADYYVSD DATA SEQUENCE WRPVPLVEGV LCEGTLELFD GAFSTSRRVK FEELVEECVA ENGGVLVFES DATA SEQUENCE TRRGAEKTAV KLSAITAKYV ENEGLEKAIL EENEGEMSRK LAECVRKGAA DATA SEQUENCE FHHAGLLNGQ RRVVEDAFRR GNIKVVVATP TLXXXVNLPA RRVIVRSLYR DATA SEQUENCE FXXXXKRIKV SEYKQMAGRA GRPGMDERGE AIIIVGKRDR EIAVKRYIFG DATA SEQUENCE EPERITSKLG VETHLRFHSL SIICDGYAKT LEELEDFFAD TFFFKQNEIS DATA SEQUENCE LSYELERVVR QLENWGMVVE AAHLAPTKLG SLVSRLYIDP LTGFIFHDVL DATA SEQUENCE SRMELSDIGA LHLICRTPDM ERLTVRKTDS WVEEEAFRLR KELSYYPSDF DATA SEQUENCE SVEYDWFLSE VKTALCLKDW IEEKDEDEIC AKYGIAPGDL RRIVETAEWL DATA SEQUENCE SNAMNRIAEE VGNTSVSGLT ERIKHGVKEE LLELVRIRHI GRVRARKLYN DATA SEQUENCE AGIRNAEDIV RHREKVASLI GRGIAERVVE GISVKS 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.250 176.300 -0.083 0.000 1.140 1 M CA 0.000 55.266 55.300 -0.056 0.000 0.988 1 M CB 0.000 32.570 32.600 -0.050 0.000 1.302 2 K N 3.503 123.850 120.400 -0.088 0.000 2.127 2 K HA 0.241 4.551 4.320 -0.016 0.000 0.261 2 K C 0.815 177.316 176.600 -0.164 0.000 1.129 2 K CA 0.036 56.261 56.287 -0.104 0.000 0.993 2 K CB 0.404 32.857 32.500 -0.078 0.000 1.410 2 K HN 0.609 nan 8.250 nan 0.000 0.380 3 V N 3.106 122.886 119.914 -0.224 0.000 2.317 3 V HA -0.330 3.780 4.120 -0.016 0.000 0.251 3 V C 1.701 177.555 176.094 -0.401 0.000 1.065 3 V CA 1.942 63.994 62.300 -0.413 0.000 1.049 3 V CB -0.368 31.200 31.823 -0.426 0.000 0.651 3 V HN 0.641 nan 8.190 nan 0.000 0.450 4 E N -0.121 119.932 120.200 -0.245 0.000 2.049 4 E HA -0.223 4.118 4.350 -0.016 0.000 0.198 4 E C 2.277 178.809 176.600 -0.113 0.000 1.007 4 E CA 1.463 57.758 56.400 -0.174 0.000 0.809 4 E CB -0.380 29.239 29.700 -0.135 0.000 0.749 4 E HN 0.551 nan 8.360 nan 0.000 0.450 5 E N 0.231 120.368 120.200 -0.104 0.000 2.033 5 E HA -0.214 4.127 4.350 -0.016 0.000 0.199 5 E C 2.157 178.727 176.600 -0.049 0.000 1.011 5 E CA 0.899 57.264 56.400 -0.058 0.000 0.815 5 E CB -0.548 29.117 29.700 -0.058 0.000 0.755 5 E HN 0.173 nan 8.360 nan 0.000 0.451 6 L N 0.965 122.118 121.223 -0.116 0.000 1.971 6 L HA -0.202 4.129 4.340 -0.016 0.000 0.215 6 L C 2.297 179.156 176.870 -0.018 0.000 1.072 6 L CA 2.591 57.376 54.840 -0.092 0.000 0.758 6 L CB -1.122 40.810 42.059 -0.211 0.000 0.889 6 L HN 0.102 nan 8.230 nan 0.000 0.433 7 A N -0.818 121.943 122.820 -0.099 0.000 1.881 7 A HA -0.373 3.937 4.320 -0.016 0.000 0.219 7 A C 2.261 179.979 177.584 0.223 0.000 1.215 7 A CA 2.420 54.551 52.037 0.157 0.000 0.648 7 A CB -1.119 17.989 19.000 0.182 0.000 0.832 7 A HN 0.661 nan 8.150 nan 0.000 0.455 8 E N -0.362 119.956 120.200 0.197 0.000 2.021 8 E HA -0.238 4.102 4.350 -0.016 0.000 0.200 8 E C 2.474 179.140 176.600 0.110 0.000 1.015 8 E CA 2.121 58.625 56.400 0.173 0.000 0.824 8 E CB -0.203 29.579 29.700 0.136 0.000 0.762 8 E HN 0.813 nan 8.360 nan 0.000 0.454 9 S N 0.706 116.464 115.700 0.096 0.000 2.372 9 S HA -0.257 4.203 4.470 -0.016 0.000 0.227 9 S C 2.106 176.804 174.600 0.164 0.000 1.044 9 S CA 1.532 59.797 58.200 0.107 0.000 1.050 9 S CB -0.770 62.484 63.200 0.091 0.000 0.901 9 S HN 0.308 nan 8.310 nan 0.000 0.447 10 I N 2.405 123.085 120.570 0.183 0.000 2.127 10 I HA -0.247 3.914 4.170 -0.016 0.000 0.241 10 I C 3.078 179.393 176.117 0.330 0.000 1.075 10 I CA 1.717 63.173 61.300 0.259 0.000 1.334 10 I CB -0.604 37.548 38.000 0.253 0.000 1.040 10 I HN 0.627 nan 8.210 nan 0.000 0.405 11 S N 0.622 116.474 115.700 0.254 0.000 2.354 11 S HA -0.278 4.182 4.470 -0.016 0.000 0.219 11 S C 2.236 176.860 174.600 0.040 0.000 1.035 11 S CA 1.845 60.147 58.200 0.171 0.000 1.037 11 S CB -1.240 61.917 63.200 -0.072 0.000 0.956 11 S HN 0.602 nan 8.310 nan 0.000 0.428 12 S N 1.324 117.037 115.700 0.020 0.000 2.378 12 S HA -0.326 4.134 4.470 -0.016 0.000 0.229 12 S C 1.703 176.300 174.600 -0.006 0.000 1.052 12 S CA 1.710 59.903 58.200 -0.012 0.000 1.084 12 S CB -1.525 61.675 63.200 -0.000 0.000 0.950 12 S HN 0.590 nan 8.310 nan 0.000 0.440 13 Y N 2.828 123.103 120.300 -0.041 0.000 2.014 13 Y HA -0.159 4.381 4.550 -0.016 0.000 0.272 13 Y C 2.948 178.764 175.900 -0.141 0.000 1.164 13 Y CA 1.516 59.583 58.100 -0.055 0.000 1.114 13 Y CB -1.326 37.135 38.460 0.001 0.000 0.961 13 Y HN 0.389 nan 8.280 nan 0.000 0.489 14 A N -1.119 121.727 122.820 0.044 0.000 1.858 14 A HA -0.133 4.178 4.320 -0.016 0.000 0.216 14 A C 2.386 179.776 177.584 -0.323 0.000 1.190 14 A CA 2.283 54.126 52.037 -0.324 0.000 0.617 14 A CB -1.338 16.984 19.000 -1.129 0.000 0.827 14 A HN 0.322 nan 8.150 nan 0.000 0.443 15 V N -1.208 118.527 119.914 -0.297 0.000 2.261 15 V HA 0.230 4.340 4.120 -0.016 0.000 0.235 15 V C 2.512 178.524 176.094 -0.137 0.000 1.044 15 V CA 2.110 64.287 62.300 -0.205 0.000 1.007 15 V CB -1.496 30.231 31.823 -0.160 0.000 0.647 15 V HN 1.090 nan 8.190 nan 0.000 0.462 16 G N 0.179 108.912 108.800 -0.110 0.000 4.148 16 G HA2 -0.308 3.642 3.960 -0.016 0.000 0.221 16 G HA3 -0.308 3.642 3.960 -0.016 0.000 0.221 16 G C 0.227 175.082 174.900 -0.076 0.000 1.373 16 G CA 0.805 45.848 45.100 -0.095 0.000 0.940 16 G HN 0.489 nan 8.290 nan 0.000 0.610 27 F N -0.355 119.738 119.950 0.239 0.000 2.680 27 F HA 0.771 5.288 4.527 -0.016 0.000 0.315 27 F C -2.933 172.582 175.800 -0.475 0.000 1.099 27 F CA -2.504 55.538 58.000 0.071 0.000 1.033 27 F CB -0.984 38.068 39.000 0.085 0.000 1.285 27 F HN -0.092 nan 8.300 nan 0.000 0.457 28 P HA -0.147 nan 4.420 nan 0.000 0.269 28 P C -1.876 174.901 177.300 -0.873 0.000 1.128 28 P CA -0.046 62.475 63.100 -0.965 0.000 0.748 28 P CB 0.392 31.808 31.700 -0.473 0.000 0.721 29 P HA -0.154 nan 4.420 nan 0.000 0.213 29 P C 0.635 177.737 177.300 -0.330 0.000 1.170 29 P CA 1.451 64.269 63.100 -0.470 0.000 0.893 29 P CB 0.327 31.812 31.700 -0.358 0.000 0.784 30 Q N -1.859 117.784 119.800 -0.261 0.000 2.205 30 Q HA 0.495 4.825 4.340 -0.016 0.000 0.249 30 Q C 1.364 177.218 176.000 -0.242 0.000 0.948 30 Q CA -0.314 55.373 55.803 -0.194 0.000 0.895 30 Q CB 1.576 30.257 28.738 -0.095 0.000 1.249 30 Q HN -0.012 nan 8.270 nan 0.000 0.458 31 A N 2.280 124.983 122.820 -0.195 0.000 1.903 31 A HA -0.304 4.006 4.320 -0.016 0.000 0.219 31 A C 1.587 179.051 177.584 -0.200 0.000 1.191 31 A CA 2.155 54.074 52.037 -0.197 0.000 0.638 31 A CB -0.756 18.161 19.000 -0.138 0.000 0.823 31 A HN 1.035 nan 8.150 nan 0.000 0.451 32 E N -0.886 119.230 120.200 -0.140 0.000 2.240 32 E HA -0.408 3.933 4.350 -0.016 0.000 0.236 32 E C 2.264 178.718 176.600 -0.244 0.000 1.085 32 E CA 1.916 58.250 56.400 -0.110 0.000 0.979 32 E CB -0.550 29.180 29.700 0.050 0.000 0.845 32 E HN 0.647 nan 8.360 nan 0.000 0.483 33 A N 0.527 123.010 122.820 -0.562 0.000 1.852 33 A HA -0.252 4.058 4.320 -0.016 0.000 0.217 33 A C 2.529 179.945 177.584 -0.280 0.000 1.215 33 A CA 2.694 54.314 52.037 -0.694 0.000 0.641 33 A CB -1.139 17.338 19.000 -0.871 0.000 0.838 33 A HN 0.201 nan 8.150 nan 0.000 0.450 34 V N -0.197 119.580 119.914 -0.227 0.000 2.287 34 V HA -0.303 3.808 4.120 -0.016 0.000 0.248 34 V C 2.500 178.639 176.094 0.075 0.000 1.053 34 V CA 2.574 64.867 62.300 -0.012 0.000 1.027 34 V CB -1.078 30.672 31.823 -0.121 0.000 0.646 34 V HN 0.726 nan 8.190 nan 0.000 0.447 35 E N 0.310 120.478 120.200 -0.055 0.000 2.114 35 E HA -0.258 4.083 4.350 -0.016 0.000 0.199 35 E C 2.235 178.855 176.600 0.033 0.000 1.008 35 E CA 1.795 58.178 56.400 -0.027 0.000 0.810 35 E CB -0.085 29.576 29.700 -0.065 0.000 0.739 35 E HN 0.607 nan 8.360 nan 0.000 0.456 36 K N -0.460 119.941 120.400 0.002 0.000 2.044 36 K HA -0.034 4.276 4.320 -0.016 0.000 0.204 36 K C 2.227 178.842 176.600 0.025 0.000 1.049 36 K CA 1.038 57.330 56.287 0.009 0.000 0.945 36 K CB -0.237 32.257 32.500 -0.011 0.000 0.724 36 K HN 0.020 nan 8.250 nan 0.000 0.440 37 V N 1.377 121.305 119.914 0.024 0.000 2.277 37 V HA -0.266 3.845 4.120 -0.016 0.000 0.253 37 V C 1.925 177.939 176.094 -0.134 0.000 1.067 37 V CA 1.932 64.202 62.300 -0.050 0.000 1.047 37 V CB -0.524 31.277 31.823 -0.037 0.000 0.649 37 V HN 0.181 nan 8.190 nan 0.000 0.447 38 F N 0.404 120.319 119.950 -0.058 0.000 2.811 38 F HA -0.005 4.512 4.527 -0.016 0.000 0.301 38 F C 2.485 178.258 175.800 -0.045 0.000 1.151 38 F CA 0.805 58.773 58.000 -0.052 0.000 1.412 38 F CB -0.680 38.291 39.000 -0.049 0.000 1.113 38 F HN 0.259 nan 8.300 nan 0.000 0.579 39 S N -0.180 115.573 115.700 0.089 0.000 2.382 39 S HA 0.033 4.494 4.470 -0.016 0.000 0.228 39 S C 2.127 176.734 174.600 0.010 0.000 1.027 39 S CA 1.212 59.438 58.200 0.043 0.000 0.991 39 S CB -0.592 62.620 63.200 0.020 0.000 0.823 39 S HN 0.557 nan 8.310 nan 0.000 0.469 40 G N 0.796 109.583 108.800 -0.020 0.000 2.176 40 G HA2 -0.253 3.697 3.960 -0.016 0.000 0.232 40 G HA3 -0.253 3.697 3.960 -0.016 0.000 0.232 40 G C -0.015 174.866 174.900 -0.031 0.000 0.986 40 G CA 0.321 45.400 45.100 -0.035 0.000 0.643 40 G HN 0.819 nan 8.290 nan 0.000 0.522 41 K N 0.399 120.785 120.400 -0.022 0.000 2.090 41 K HA 0.477 4.788 4.320 -0.016 0.000 0.249 41 K C 0.333 176.918 176.600 -0.025 0.000 0.995 41 K CA -0.775 55.500 56.287 -0.019 0.000 0.914 41 K CB 0.254 32.749 32.500 -0.008 0.000 1.057 41 K HN 0.084 nan 8.250 nan 0.000 0.462 42 N N 1.432 120.115 118.700 -0.029 0.000 2.407 42 N HA 0.109 4.840 4.740 -0.016 0.000 0.250 42 N C -0.962 174.543 175.510 -0.009 0.000 1.236 42 N CA 0.044 53.072 53.050 -0.038 0.000 0.879 42 N CB 0.259 38.711 38.487 -0.060 0.000 1.088 42 N HN 0.397 nan 8.380 nan 0.000 0.450 43 L N 1.613 122.834 121.223 -0.003 0.000 2.493 43 L HA 0.573 4.904 4.340 -0.016 0.000 0.265 43 L C -1.867 175.038 176.870 0.058 0.000 0.954 43 L CA -0.810 54.052 54.840 0.037 0.000 0.844 43 L CB 1.616 43.690 42.059 0.025 0.000 1.302 43 L HN 0.453 nan 8.230 nan 0.000 0.405 44 L N 5.395 126.687 121.223 0.115 0.000 2.305 44 L HA 0.674 5.005 4.340 -0.016 0.000 0.284 44 L C -1.612 175.368 176.870 0.184 0.000 1.013 44 L CA -0.211 54.705 54.840 0.127 0.000 0.819 44 L CB 1.209 43.346 42.059 0.130 0.000 1.227 44 L HN 0.683 nan 8.230 nan 0.000 0.417 45 L N 5.837 127.161 121.223 0.169 0.000 2.296 45 L HA 0.765 5.095 4.340 -0.016 0.000 0.286 45 L C -0.082 176.901 176.870 0.188 0.000 1.023 45 L CA -0.620 54.358 54.840 0.229 0.000 0.812 45 L CB 1.654 43.843 42.059 0.218 0.000 1.223 45 L HN 0.782 nan 8.230 nan 0.000 0.421 46 A N 5.977 128.905 122.820 0.181 0.000 2.323 46 A HA 0.855 5.166 4.320 -0.016 0.000 0.305 46 A C -0.487 177.161 177.584 0.108 0.000 1.275 46 A CA -0.412 51.692 52.037 0.112 0.000 0.804 46 A CB 0.825 19.868 19.000 0.071 0.000 1.152 46 A HN 0.764 nan 8.150 nan 0.000 0.487 47 M N 3.691 123.357 119.600 0.109 0.000 2.631 47 M HA 0.434 4.904 4.480 -0.016 0.000 0.288 47 M C -1.864 174.458 176.300 0.037 0.000 1.260 47 M CA -1.920 53.449 55.300 0.114 0.000 0.842 47 M CB 2.915 35.641 32.600 0.211 0.000 1.743 47 M HN 0.421 nan 8.290 nan 0.000 0.461 48 P HA -0.011 nan 4.420 nan 0.000 0.206 48 P C 0.168 177.437 177.300 -0.052 0.000 1.212 48 P CA 1.197 64.264 63.100 -0.055 0.000 0.919 48 P CB -0.263 31.392 31.700 -0.076 0.000 0.755 49 T N 0.742 115.263 114.554 -0.055 0.000 2.919 49 T HA 0.283 4.624 4.350 -0.016 0.000 0.302 49 T C 1.550 176.265 174.700 0.026 0.000 1.031 49 T CA 0.369 62.446 62.100 -0.039 0.000 1.127 49 T CB 0.789 69.607 68.868 -0.084 0.000 0.952 49 T HN 0.144 nan 8.240 nan 0.000 0.540 50 A N 3.088 125.939 122.820 0.051 0.000 2.019 50 A HA 0.101 4.411 4.320 -0.016 0.000 0.219 50 A C 2.371 180.034 177.584 0.133 0.000 1.164 50 A CA 1.646 53.747 52.037 0.107 0.000 0.644 50 A CB -1.109 17.960 19.000 0.117 0.000 0.805 50 A HN 1.032 nan 8.150 nan 0.000 0.449 51 A N -0.298 122.580 122.820 0.097 0.000 2.654 51 A HA -0.153 4.158 4.320 -0.016 0.000 0.228 51 A C 2.481 180.189 177.584 0.206 0.000 1.418 51 A CA 2.619 54.726 52.037 0.116 0.000 1.034 51 A CB -1.702 17.323 19.000 0.041 0.000 0.682 51 A HN 1.126 nan 8.150 nan 0.000 0.524 52 G N -1.357 107.619 108.800 0.292 0.000 2.448 52 G HA2 -0.232 3.719 3.960 -0.016 0.000 0.219 52 G HA3 -0.232 3.719 3.960 -0.016 0.000 0.219 52 G C 1.556 176.661 174.900 0.341 0.000 1.127 52 G CA 1.508 46.873 45.100 0.442 0.000 0.766 52 G HN 0.696 nan 8.290 nan 0.000 0.552 53 K N -0.235 120.334 120.400 0.281 0.000 2.044 53 K HA -0.115 4.196 4.320 -0.016 0.000 0.210 53 K C 2.669 179.410 176.600 0.235 0.000 1.049 53 K CA 1.917 58.349 56.287 0.242 0.000 0.927 53 K CB -0.259 32.366 32.500 0.209 0.000 0.713 53 K HN 0.260 nan 8.250 nan 0.000 0.443 54 T N 1.151 115.854 114.554 0.248 0.000 2.821 54 T HA -0.117 4.223 4.350 -0.016 0.000 0.267 54 T C 1.581 176.416 174.700 0.224 0.000 1.046 54 T CA 1.086 63.349 62.100 0.272 0.000 1.139 54 T CB -0.143 68.900 68.868 0.291 0.000 0.871 54 T HN 0.124 nan 8.240 nan 0.000 0.454 55 L N 0.798 122.156 121.223 0.224 0.000 2.141 55 L HA 0.102 4.433 4.340 -0.016 0.000 0.209 55 L C 2.059 179.032 176.870 0.173 0.000 1.094 55 L CA 1.396 56.359 54.840 0.204 0.000 0.763 55 L CB -0.539 41.629 42.059 0.181 0.000 0.908 55 L HN 0.247 nan 8.230 nan 0.000 0.437 56 L N -1.030 120.314 121.223 0.203 0.000 2.056 56 L HA -0.169 4.162 4.340 -0.016 0.000 0.207 56 L C 2.638 179.525 176.870 0.027 0.000 1.078 56 L CA 1.141 56.070 54.840 0.147 0.000 0.749 56 L CB -0.827 41.309 42.059 0.128 0.000 0.901 56 L HN 0.367 nan 8.230 nan 0.000 0.433 57 A N -0.133 122.721 122.820 0.056 0.000 1.902 57 A HA -0.218 4.093 4.320 -0.016 0.000 0.217 57 A C 2.130 179.637 177.584 -0.128 0.000 1.181 57 A CA 1.568 53.614 52.037 0.016 0.000 0.623 57 A CB -0.437 18.664 19.000 0.169 0.000 0.818 57 A HN 0.424 nan 8.150 nan 0.000 0.443 58 E N -0.861 119.237 120.200 -0.169 0.000 2.058 58 E HA -0.240 4.101 4.350 -0.016 0.000 0.194 58 E C 2.086 178.325 176.600 -0.602 0.000 0.997 58 E CA 1.619 57.748 56.400 -0.452 0.000 0.801 58 E CB -0.271 29.285 29.700 -0.239 0.000 0.746 58 E HN 0.647 nan 8.360 nan 0.000 0.450 59 M N 0.351 119.715 119.600 -0.393 0.000 2.080 59 M HA -0.219 4.251 4.480 -0.016 0.000 0.260 59 M C 2.412 178.396 176.300 -0.527 0.000 1.068 59 M CA 1.609 56.657 55.300 -0.419 0.000 1.109 59 M CB -0.233 32.303 32.600 -0.105 0.000 1.342 59 M HN 0.165 nan 8.290 nan 0.000 0.405 60 A N 0.213 122.773 122.820 -0.434 0.000 1.903 60 A HA -0.278 4.033 4.320 -0.016 0.000 0.219 60 A C 2.098 179.449 177.584 -0.389 0.000 1.191 60 A CA 2.273 54.056 52.037 -0.423 0.000 0.638 60 A CB -0.751 18.098 19.000 -0.251 0.000 0.823 60 A HN 0.533 nan 8.150 nan 0.000 0.451 61 M N -1.094 118.278 119.600 -0.379 0.000 2.077 61 M HA -0.131 4.339 4.480 -0.016 0.000 0.261 61 M C 2.174 178.234 176.300 -0.400 0.000 1.070 61 M CA 1.546 56.633 55.300 -0.356 0.000 1.125 61 M CB -0.574 31.791 32.600 -0.392 0.000 1.339 61 M HN 0.261 nan 8.290 nan 0.000 0.409 62 V N 0.660 120.230 119.914 -0.574 0.000 2.278 62 V HA -0.359 3.751 4.120 -0.016 0.000 0.251 62 V C 2.442 178.343 176.094 -0.321 0.000 1.062 62 V CA 2.444 64.425 62.300 -0.531 0.000 1.038 62 V CB -0.968 30.408 31.823 -0.746 0.000 0.646 62 V HN 0.503 nan 8.190 nan 0.000 0.447 63 R N 0.298 120.593 120.500 -0.342 0.000 2.070 63 R HA -0.262 4.069 4.340 -0.016 0.000 0.232 63 R C 2.349 178.539 176.300 -0.183 0.000 1.138 63 R CA 2.318 58.271 56.100 -0.246 0.000 0.936 63 R CB -0.478 29.572 30.300 -0.416 0.000 0.839 63 R HN 0.525 nan 8.270 nan 0.000 0.429 64 E N 0.353 120.428 120.200 -0.208 0.000 2.147 64 E HA -0.224 4.116 4.350 -0.016 0.000 0.199 64 E C 1.677 178.212 176.600 -0.109 0.000 1.005 64 E CA 1.944 58.259 56.400 -0.141 0.000 0.810 64 E CB -0.291 29.326 29.700 -0.138 0.000 0.736 64 E HN 0.515 nan 8.360 nan 0.000 0.460 65 A N 0.522 123.263 122.820 -0.132 0.000 1.858 65 A HA -0.162 4.149 4.320 -0.016 0.000 0.216 65 A C 2.368 179.908 177.584 -0.073 0.000 1.190 65 A CA 1.692 53.668 52.037 -0.101 0.000 0.617 65 A CB -0.820 18.105 19.000 -0.125 0.000 0.827 65 A HN 0.366 nan 8.150 nan 0.000 0.443 66 I N -0.120 120.402 120.570 -0.079 0.000 2.335 66 I HA -0.294 3.866 4.170 -0.016 0.000 0.251 66 I C 2.094 178.189 176.117 -0.035 0.000 1.129 66 I CA 1.541 62.811 61.300 -0.049 0.000 1.402 66 I CB -0.323 37.653 38.000 -0.041 0.000 1.069 66 I HN 0.338 nan 8.210 nan 0.000 0.424 67 K N 0.773 121.148 120.400 -0.042 0.000 2.362 67 K HA 0.016 4.327 4.320 -0.016 0.000 0.200 67 K C 1.315 177.901 176.600 -0.024 0.000 1.046 67 K CA 0.964 57.234 56.287 -0.029 0.000 0.952 67 K CB -0.075 32.403 32.500 -0.035 0.000 0.753 67 K HN 0.524 nan 8.250 nan 0.000 0.466 68 G N 1.095 109.877 108.800 -0.029 0.000 2.131 68 G HA2 -0.171 3.780 3.960 -0.016 0.000 0.201 68 G HA3 -0.171 3.780 3.960 -0.016 0.000 0.201 68 G C 0.262 175.152 174.900 -0.017 0.000 1.000 68 G CA -0.224 44.864 45.100 -0.020 0.000 0.680 68 G HN 0.528 nan 8.290 nan 0.000 0.514 69 G N -0.832 107.952 108.800 -0.027 0.000 2.671 69 G HA2 0.714 4.664 3.960 -0.016 0.000 0.275 69 G HA3 0.714 4.664 3.960 -0.016 0.000 0.275 69 G C -0.366 174.524 174.900 -0.016 0.000 1.368 69 G CA -0.179 44.910 45.100 -0.019 0.000 1.044 69 G HN 0.507 nan 8.290 nan 0.000 0.543 70 K N -0.694 119.706 120.400 -0.000 0.000 2.513 70 K HA 0.506 4.816 4.320 -0.016 0.000 0.251 70 K C -1.184 175.432 176.600 0.026 0.000 0.939 70 K CA -0.454 55.841 56.287 0.014 0.000 0.793 70 K CB 1.816 34.347 32.500 0.052 0.000 1.241 70 K HN 0.461 nan 8.250 nan 0.000 0.431 71 S N 2.743 118.453 115.700 0.017 0.000 2.537 71 S HA 0.490 4.950 4.470 -0.016 0.000 0.301 71 S C -1.184 173.483 174.600 0.110 0.000 1.092 71 S CA -0.776 57.447 58.200 0.039 0.000 1.048 71 S CB 1.389 64.582 63.200 -0.012 0.000 1.053 71 S HN 0.525 nan 8.310 nan 0.000 0.501 72 L N 3.363 124.675 121.223 0.148 0.000 2.384 72 L HA 0.455 4.785 4.340 -0.016 0.000 0.261 72 L C -1.248 175.755 176.870 0.222 0.000 1.024 72 L CA -0.563 54.407 54.840 0.216 0.000 0.899 72 L CB 0.141 42.348 42.059 0.247 0.000 1.243 72 L HN 0.711 nan 8.230 nan 0.000 0.449 73 Y N 3.579 123.969 120.300 0.151 0.000 2.465 73 Y HA 0.436 4.977 4.550 -0.016 0.000 0.331 73 Y C -0.298 175.694 175.900 0.154 0.000 1.102 73 Y CA 0.411 58.617 58.100 0.177 0.000 1.358 73 Y CB 0.820 39.480 38.460 0.333 0.000 1.213 73 Y HN 0.388 nan 8.280 nan 0.000 0.525 74 V N 7.214 127.091 119.914 -0.063 0.000 2.581 74 V HA 0.573 4.683 4.120 -0.016 0.000 0.303 74 V C -0.775 175.282 176.094 -0.061 0.000 1.041 74 V CA -0.743 61.556 62.300 -0.001 0.000 0.907 74 V CB 1.789 33.597 31.823 -0.024 0.000 0.994 74 V HN 0.581 nan 8.190 nan 0.000 0.442 75 V N 6.076 126.023 119.914 0.055 0.000 3.078 75 V HA 0.504 4.615 4.120 -0.016 0.000 0.311 75 V C -1.753 174.360 176.094 0.032 0.000 1.138 75 V CA -1.337 61.002 62.300 0.065 0.000 1.007 75 V CB 3.131 35.054 31.823 0.167 0.000 1.045 75 V HN 0.753 nan 8.190 nan 0.000 0.432 76 P HA 0.028 nan 4.420 nan 0.000 0.215 76 P C 0.203 177.509 177.300 0.009 0.000 1.160 76 P CA 0.990 64.090 63.100 0.000 0.000 0.869 76 P CB 0.487 32.175 31.700 -0.020 0.000 0.782 77 L N -0.498 120.737 121.223 0.020 0.000 2.357 77 L HA 0.361 4.691 4.340 -0.016 0.000 0.273 77 L C 1.759 178.635 176.870 0.010 0.000 1.080 77 L CA -0.918 53.931 54.840 0.015 0.000 0.803 77 L CB 0.772 42.846 42.059 0.026 0.000 1.174 77 L HN -0.244 nan 8.230 nan 0.000 0.443 78 R N 1.758 122.251 120.500 -0.012 0.000 2.193 78 R HA -0.083 4.247 4.340 -0.016 0.000 0.229 78 R C 1.915 178.204 176.300 -0.019 0.000 1.110 78 R CA 1.213 57.295 56.100 -0.030 0.000 0.988 78 R CB -0.934 29.329 30.300 -0.060 0.000 0.871 78 R HN 0.818 nan 8.270 nan 0.000 0.458 79 A N 1.099 123.918 122.820 -0.001 0.000 1.828 79 A HA -0.125 4.185 4.320 -0.016 0.000 0.215 79 A C 1.926 179.519 177.584 0.015 0.000 1.203 79 A CA 1.305 53.349 52.037 0.011 0.000 0.614 79 A CB -0.774 18.245 19.000 0.033 0.000 0.844 79 A HN 0.156 nan 8.150 nan 0.000 0.445 80 L N -0.003 121.238 121.223 0.030 0.000 2.051 80 L HA -0.277 4.054 4.340 -0.016 0.000 0.214 80 L C 3.022 179.901 176.870 0.016 0.000 1.076 80 L CA 2.108 56.969 54.840 0.036 0.000 0.758 80 L CB -1.102 41.000 42.059 0.071 0.000 0.890 80 L HN 0.470 nan 8.230 nan 0.000 0.433 81 A N -0.204 122.630 122.820 0.023 0.000 1.909 81 A HA -0.311 3.999 4.320 -0.016 0.000 0.221 81 A C 2.461 180.035 177.584 -0.016 0.000 1.223 81 A CA 2.545 54.590 52.037 0.013 0.000 0.658 81 A CB -1.595 17.403 19.000 -0.004 0.000 0.831 81 A HN 0.483 nan 8.150 nan 0.000 0.462 82 G N -1.093 107.693 108.800 -0.023 0.000 2.402 82 G HA2 -0.157 3.793 3.960 -0.016 0.000 0.216 82 G HA3 -0.157 3.793 3.960 -0.016 0.000 0.216 82 G C 1.373 176.285 174.900 0.019 0.000 1.162 82 G CA 0.992 46.089 45.100 -0.004 0.000 0.777 82 G HN 0.530 nan 8.290 nan 0.000 0.539 83 E N 0.893 121.082 120.200 -0.018 0.000 2.058 83 E HA -0.117 4.223 4.350 -0.016 0.000 0.194 83 E C 2.560 179.075 176.600 -0.142 0.000 0.997 83 E CA 0.877 57.251 56.400 -0.043 0.000 0.801 83 E CB -0.203 29.485 29.700 -0.020 0.000 0.746 83 E HN 0.227 nan 8.360 nan 0.000 0.450 84 K N 0.367 120.624 120.400 -0.239 0.000 2.057 84 K HA -0.123 4.187 4.320 -0.016 0.000 0.206 84 K C 2.144 178.206 176.600 -0.897 0.000 1.050 84 K CA 0.666 56.564 56.287 -0.648 0.000 0.935 84 K CB -0.789 31.299 32.500 -0.686 0.000 0.715 84 K HN 0.219 nan 8.250 nan 0.000 0.439 85 Y N 2.447 122.420 120.300 -0.545 0.000 2.053 85 Y HA -0.306 4.235 4.550 -0.016 0.000 0.277 85 Y C 2.338 178.099 175.900 -0.233 0.000 1.159 85 Y CA 2.121 60.012 58.100 -0.350 0.000 1.125 85 Y CB -0.306 38.057 38.460 -0.161 0.000 0.969 85 Y HN 0.066 nan 8.280 nan 0.000 0.492 86 E N -0.052 120.073 120.200 -0.125 0.000 2.049 86 E HA -0.232 4.108 4.350 -0.016 0.000 0.198 86 E C 2.605 179.087 176.600 -0.196 0.000 1.007 86 E CA 1.643 57.940 56.400 -0.171 0.000 0.809 86 E CB -0.826 28.859 29.700 -0.026 0.000 0.749 86 E HN 0.409 nan 8.360 nan 0.000 0.450 87 S N -1.107 114.479 115.700 -0.189 0.000 2.423 87 S HA -0.168 4.293 4.470 -0.016 0.000 0.238 87 S C 1.583 176.274 174.600 0.150 0.000 1.028 87 S CA 1.223 59.375 58.200 -0.080 0.000 1.000 87 S CB -0.422 62.706 63.200 -0.120 0.000 0.797 87 S HN 0.391 nan 8.310 nan 0.000 0.487 88 F N 0.377 120.270 119.950 -0.096 0.000 2.743 88 F HA 0.202 4.719 4.527 -0.016 0.000 0.297 88 F C 2.171 177.952 175.800 -0.032 0.000 1.131 88 F CA -0.118 57.897 58.000 0.026 0.000 1.426 88 F CB 0.031 39.018 39.000 -0.022 0.000 1.116 88 F HN 0.109 nan 8.300 nan 0.000 0.583 89 K N 1.282 121.661 120.400 -0.034 0.000 2.360 89 K HA -0.211 4.100 4.320 -0.016 0.000 0.201 89 K C 1.992 178.538 176.600 -0.091 0.000 1.046 89 K CA 0.864 57.084 56.287 -0.111 0.000 0.945 89 K CB -0.142 32.241 32.500 -0.195 0.000 0.750 89 K HN 0.230 nan 8.250 nan 0.000 0.464 90 K N 0.482 120.791 120.400 -0.152 0.000 2.113 90 K HA -0.184 4.126 4.320 -0.016 0.000 0.208 90 K C 0.747 177.066 176.600 -0.469 0.000 1.047 90 K CA 1.484 57.559 56.287 -0.354 0.000 0.928 90 K CB -0.141 32.057 32.500 -0.503 0.000 0.716 90 K HN 0.207 nan 8.250 nan 0.000 0.446 91 W N 1.942 123.223 121.300 -0.033 0.000 3.434 91 W HA 0.136 4.786 4.660 -0.016 0.000 0.297 91 W C 1.066 177.548 176.519 -0.061 0.000 1.295 91 W CA -0.364 56.947 57.345 -0.057 0.000 1.731 91 W CB 0.237 29.643 29.460 -0.090 0.000 1.070 91 W HN 0.214 nan 8.180 nan 0.000 0.726 92 E N 0.647 120.875 120.200 0.046 0.000 2.216 92 E HA -0.123 4.217 4.350 -0.016 0.000 0.192 92 E C 1.679 178.285 176.600 0.011 0.000 0.988 92 E CA 0.712 57.129 56.400 0.028 0.000 0.834 92 E CB -0.027 29.670 29.700 -0.006 0.000 0.772 92 E HN 0.365 nan 8.360 nan 0.000 0.479 93 K N 0.531 120.927 120.400 -0.008 0.000 2.281 93 K HA -0.096 4.214 4.320 -0.016 0.000 0.203 93 K C 1.607 178.166 176.600 -0.068 0.000 1.046 93 K CA 0.863 57.148 56.287 -0.003 0.000 0.938 93 K CB 0.053 32.584 32.500 0.052 0.000 0.737 93 K HN 0.179 nan 8.250 nan 0.000 0.458 94 I N -0.472 120.075 120.570 -0.038 0.000 3.956 94 I HA 0.080 4.240 4.170 -0.016 0.000 0.333 94 I C 0.827 176.931 176.117 -0.023 0.000 1.302 94 I CA 0.066 61.327 61.300 -0.065 0.000 1.122 94 I CB 0.630 38.649 38.000 0.031 0.000 1.013 94 I HN 0.346 nan 8.210 nan 0.000 0.405 95 G N 1.385 110.184 108.800 -0.000 0.000 2.141 95 G HA2 -0.210 3.741 3.960 -0.016 0.000 0.242 95 G HA3 -0.210 3.741 3.960 -0.016 0.000 0.242 95 G C 0.266 175.171 174.900 0.010 0.000 0.982 95 G CA -0.395 44.705 45.100 0.000 0.000 0.662 95 G HN 0.206 nan 8.290 nan 0.000 0.527 96 L N -0.032 121.212 121.223 0.035 0.000 2.417 96 L HA 0.499 4.829 4.340 -0.016 0.000 0.268 96 L C 1.038 177.925 176.870 0.028 0.000 1.158 96 L CA -0.376 54.479 54.840 0.025 0.000 0.819 96 L CB 1.229 43.318 42.059 0.050 0.000 1.112 96 L HN 0.224 nan 8.230 nan 0.000 0.458 97 R N 2.536 123.043 120.500 0.012 0.000 2.337 97 R HA 0.437 4.768 4.340 -0.016 0.000 0.319 97 R C -0.960 175.352 176.300 0.021 0.000 0.954 97 R CA -0.833 55.276 56.100 0.015 0.000 0.840 97 R CB 0.990 31.294 30.300 0.007 0.000 1.164 97 R HN 0.378 nan 8.270 nan 0.000 0.472 98 I N 2.399 122.987 120.570 0.031 0.000 2.532 98 I HA 0.439 4.599 4.170 -0.016 0.000 0.292 98 I C 0.889 177.103 176.117 0.161 0.000 1.014 98 I CA 0.147 61.482 61.300 0.059 0.000 1.340 98 I CB 1.791 39.760 38.000 -0.050 0.000 1.422 98 I HN 0.681 nan 8.210 nan 0.000 0.528 99 G N 5.304 114.249 108.800 0.242 0.000 2.660 99 G HA2 0.774 4.724 3.960 -0.016 0.000 0.294 99 G HA3 0.774 4.724 3.960 -0.016 0.000 0.294 99 G C -1.742 173.301 174.900 0.238 0.000 1.369 99 G CA -0.445 44.810 45.100 0.257 0.000 0.912 99 G HN 0.612 nan 8.290 nan 0.000 0.479 100 I N -0.233 120.344 120.570 0.012 0.000 2.827 100 I HA 0.767 4.928 4.170 -0.016 0.000 0.298 100 I C -1.236 174.816 176.117 -0.109 0.000 1.235 100 I CA -0.829 60.398 61.300 -0.122 0.000 1.021 100 I CB 2.393 40.082 38.000 -0.518 0.000 1.259 100 I HN 0.604 nan 8.210 nan 0.000 0.427 101 S N 3.912 119.579 115.700 -0.055 0.000 2.668 101 S HA 0.745 5.205 4.470 -0.016 0.000 0.277 101 S C -1.349 173.226 174.600 -0.043 0.000 1.170 101 S CA -0.200 57.986 58.200 -0.023 0.000 0.994 101 S CB 1.437 64.663 63.200 0.043 0.000 1.051 101 S HN 0.675 nan 8.310 nan 0.000 0.484 102 T N 2.719 117.219 114.554 -0.089 0.000 3.032 102 T HA 0.653 4.993 4.350 -0.016 0.000 0.312 102 T C 0.792 175.374 174.700 -0.197 0.000 1.078 102 T CA -0.023 61.998 62.100 -0.133 0.000 1.028 102 T CB 1.147 69.944 68.868 -0.118 0.000 1.091 102 T HN 1.518 nan 8.240 nan 0.000 0.457 103 G N 2.510 111.112 108.800 -0.330 0.000 2.234 103 G HA2 -0.194 3.757 3.960 -0.016 0.000 0.235 103 G HA3 -0.194 3.757 3.960 -0.016 0.000 0.235 103 G C -0.175 174.428 174.900 -0.496 0.000 0.997 103 G CA 0.051 44.891 45.100 -0.433 0.000 0.623 103 G HN 0.768 nan 8.290 nan 0.000 0.514 104 D N -0.175 120.013 120.400 -0.353 0.000 2.373 104 D HA 0.612 5.242 4.640 -0.016 0.000 0.227 104 D C 0.877 177.065 176.300 -0.187 0.000 1.091 104 D CA -0.679 53.198 54.000 -0.204 0.000 0.840 104 D CB 0.563 41.332 40.800 -0.052 0.000 1.060 104 D HN 0.113 nan 8.370 nan 0.000 0.502 105 Y N 1.490 121.812 120.300 0.037 0.000 2.222 105 Y HA 0.110 4.651 4.550 -0.016 0.000 0.290 105 Y C 1.484 177.431 175.900 0.078 0.000 1.123 105 Y CA 0.301 58.428 58.100 0.044 0.000 1.120 105 Y CB -0.115 38.402 38.460 0.096 0.000 1.060 105 Y HN 0.364 nan 8.280 nan 0.000 0.508 106 E N 2.191 122.559 120.200 0.279 0.000 2.614 106 E HA 0.105 4.445 4.350 -0.016 0.000 0.321 106 E C -0.526 176.159 176.600 0.141 0.000 1.354 106 E CA 0.190 56.704 56.400 0.190 0.000 1.469 106 E CB -0.811 28.992 29.700 0.173 0.000 1.197 106 E HN 0.333 nan 8.360 nan 0.000 0.497 107 S N -0.468 115.313 115.700 0.136 0.000 2.542 107 S HA 0.396 4.856 4.470 -0.016 0.000 0.276 107 S C 0.234 174.910 174.600 0.126 0.000 1.148 107 S CA -0.983 57.291 58.200 0.123 0.000 0.886 107 S CB 1.493 64.767 63.200 0.123 0.000 1.109 107 S HN 0.276 nan 8.310 nan 0.000 0.458 108 R N 0.414 120.990 120.500 0.127 0.000 2.300 108 R HA 0.187 4.517 4.340 -0.016 0.000 0.199 108 R C -0.745 175.702 176.300 0.244 0.000 0.920 108 R CA 0.317 56.494 56.100 0.128 0.000 1.046 108 R CB -0.494 29.863 30.300 0.095 0.000 0.984 108 R HN 0.825 nan 8.270 nan 0.000 0.493 109 D N 1.503 122.040 120.400 0.229 0.000 2.704 109 D HA -0.156 4.474 4.640 -0.016 0.000 0.232 109 D C 0.434 176.809 176.300 0.125 0.000 1.183 109 D CA 0.646 54.754 54.000 0.179 0.000 0.647 109 D CB -0.379 40.497 40.800 0.128 0.000 1.013 109 D HN 0.237 nan 8.370 nan 0.000 0.415 110 E N -0.714 119.613 120.200 0.212 0.000 2.401 110 E HA -0.207 4.134 4.350 -0.016 0.000 0.199 110 E C 1.719 178.351 176.600 0.054 0.000 1.023 110 E CA 1.281 57.807 56.400 0.209 0.000 0.859 110 E CB -0.219 29.594 29.700 0.188 0.000 0.780 110 E HN 0.871 nan 8.360 nan 0.000 0.523 111 H N -0.948 118.138 119.070 0.026 0.000 2.470 111 H HA 0.076 4.622 4.556 -0.016 0.000 0.289 111 H C 2.079 177.327 175.328 -0.133 0.000 1.033 111 H CA 0.567 56.595 56.048 -0.033 0.000 1.331 111 H CB -0.568 29.185 29.762 -0.015 0.000 1.414 111 H HN 0.036 nan 8.280 nan 0.000 0.545 112 L N 0.861 121.617 121.223 -0.779 0.000 2.093 112 L HA -0.016 4.314 4.340 -0.016 0.000 0.208 112 L C 2.861 179.290 176.870 -0.734 0.000 1.085 112 L CA 0.938 55.315 54.840 -0.771 0.000 0.755 112 L CB -0.795 40.604 42.059 -1.100 0.000 0.904 112 L HN 0.611 nan 8.230 nan 0.000 0.435 113 G N 0.455 108.799 108.800 -0.760 0.000 2.697 113 G HA2 -0.293 3.657 3.960 -0.016 0.000 0.223 113 G HA3 -0.293 3.657 3.960 -0.016 0.000 0.223 113 G C 0.659 175.461 174.900 -0.163 0.000 1.083 113 G CA 1.377 46.264 45.100 -0.355 0.000 0.722 113 G HN 0.644 nan 8.290 nan 0.000 0.604 114 D N -0.808 119.496 120.400 -0.160 0.000 3.008 114 D HA 0.271 4.902 4.640 -0.016 0.000 0.312 114 D C -0.264 175.985 176.300 -0.084 0.000 1.361 114 D CA -0.528 53.426 54.000 -0.077 0.000 0.858 114 D CB -0.413 40.370 40.800 -0.028 0.000 1.098 114 D HN 0.043 nan 8.370 nan 0.000 0.482 115 C N 0.095 119.315 119.300 -0.134 0.000 2.667 115 C HA 0.302 4.752 4.460 -0.016 0.000 0.323 115 C C 1.227 176.171 174.990 -0.076 0.000 1.214 115 C CA -0.548 58.411 59.018 -0.098 0.000 1.721 115 C CB 2.501 30.161 27.740 -0.133 0.000 2.275 115 C HN 0.329 nan 8.230 nan 0.000 0.491 116 D N 0.404 120.778 120.400 -0.043 0.000 2.277 116 D HA 0.207 4.837 4.640 -0.016 0.000 0.209 116 D C 0.068 176.346 176.300 -0.037 0.000 0.970 116 D CA 1.255 55.230 54.000 -0.042 0.000 0.874 116 D CB 0.365 41.137 40.800 -0.046 0.000 0.982 116 D HN 0.462 nan 8.370 nan 0.000 0.504 117 I N 1.316 121.880 120.570 -0.011 0.000 2.466 117 I HA 0.316 4.476 4.170 -0.016 0.000 0.289 117 I C -0.680 175.487 176.117 0.084 0.000 1.026 117 I CA -0.548 60.777 61.300 0.041 0.000 1.078 117 I CB 2.695 40.720 38.000 0.042 0.000 1.249 117 I HN -0.334 nan 8.210 nan 0.000 0.429 118 I N 6.865 127.493 120.570 0.096 0.000 2.437 118 I HA 0.286 4.447 4.170 -0.016 0.000 0.279 118 I C -0.341 175.893 176.117 0.195 0.000 1.028 118 I CA -0.682 60.653 61.300 0.058 0.000 1.142 118 I CB 1.582 39.498 38.000 -0.140 0.000 1.266 118 I HN 0.197 nan 8.210 nan 0.000 0.461 119 V N 5.473 125.528 119.914 0.236 0.000 2.546 119 V HA 0.557 4.667 4.120 -0.016 0.000 0.284 119 V C 0.521 176.716 176.094 0.169 0.000 1.050 119 V CA 0.122 62.578 62.300 0.261 0.000 0.981 119 V CB 1.384 33.329 31.823 0.202 0.000 0.990 119 V HN 0.902 nan 8.190 nan 0.000 0.474 120 T N 1.151 115.812 114.554 0.178 0.000 2.653 120 T HA 0.533 4.874 4.350 -0.016 0.000 0.306 120 T C -0.324 174.437 174.700 0.101 0.000 1.426 120 T CA 0.017 62.184 62.100 0.111 0.000 1.008 120 T CB 1.759 70.708 68.868 0.135 0.000 1.692 120 T HN 0.818 nan 8.240 nan 0.000 0.483 121 T N -0.805 113.784 114.554 0.058 0.000 2.948 121 T HA 0.564 4.905 4.350 -0.016 0.000 0.285 121 T C 1.417 176.142 174.700 0.041 0.000 1.019 121 T CA 0.081 62.207 62.100 0.043 0.000 1.013 121 T CB 1.174 70.049 68.868 0.013 0.000 1.117 121 T HN 0.681 nan 8.240 nan 0.000 0.533 122 S N 0.786 116.503 115.700 0.029 0.000 2.359 122 S HA -0.182 4.278 4.470 -0.016 0.000 0.223 122 S C 1.852 176.474 174.600 0.036 0.000 1.039 122 S CA 1.689 59.908 58.200 0.031 0.000 1.042 122 S CB -0.598 62.614 63.200 0.020 0.000 0.915 122 S HN 0.841 nan 8.310 nan 0.000 0.439 123 E N 1.150 121.362 120.200 0.019 0.000 2.051 123 E HA -0.195 4.146 4.350 -0.016 0.000 0.192 123 E C 2.138 178.646 176.600 -0.152 0.000 0.991 123 E CA 1.193 57.551 56.400 -0.070 0.000 0.799 123 E CB -0.229 29.443 29.700 -0.047 0.000 0.748 123 E HN 0.252 nan 8.360 nan 0.000 0.449 124 K N 1.493 121.894 120.400 0.002 0.000 2.103 124 K HA -0.143 4.167 4.320 -0.016 0.000 0.207 124 K C 1.858 178.480 176.600 0.037 0.000 1.048 124 K CA 1.517 57.837 56.287 0.056 0.000 0.930 124 K CB -0.479 32.034 32.500 0.021 0.000 0.716 124 K HN 0.130 nan 8.250 nan 0.000 0.444 125 A N 0.769 123.611 122.820 0.037 0.000 1.855 125 A HA -0.179 4.131 4.320 -0.016 0.000 0.215 125 A C 2.104 179.694 177.584 0.011 0.000 1.191 125 A CA 2.022 54.081 52.037 0.038 0.000 0.613 125 A CB -1.103 17.931 19.000 0.057 0.000 0.829 125 A HN 0.522 nan 8.150 nan 0.000 0.442 126 D N -0.434 119.985 120.400 0.032 0.000 2.116 126 D HA -0.159 4.471 4.640 -0.016 0.000 0.193 126 D C 2.221 178.565 176.300 0.074 0.000 0.998 126 D CA 1.808 55.867 54.000 0.099 0.000 0.836 126 D CB -0.268 40.680 40.800 0.248 0.000 0.951 126 D HN 0.328 nan 8.370 nan 0.000 0.449 127 S N -1.018 114.639 115.700 -0.070 0.000 2.351 127 S HA -0.143 4.318 4.470 -0.016 0.000 0.220 127 S C 2.279 176.898 174.600 0.032 0.000 1.035 127 S CA 1.401 59.574 58.200 -0.044 0.000 1.031 127 S CB -0.627 62.509 63.200 -0.107 0.000 0.928 127 S HN 0.350 nan 8.310 nan 0.000 0.433 128 L N 1.036 122.265 121.223 0.010 0.000 2.103 128 L HA -0.200 4.130 4.340 -0.016 0.000 0.215 128 L C 2.296 179.102 176.870 -0.108 0.000 1.080 128 L CA 1.568 56.373 54.840 -0.058 0.000 0.764 128 L CB -0.623 41.355 42.059 -0.136 0.000 0.890 128 L HN 0.417 nan 8.230 nan 0.000 0.435 129 I N -1.074 119.457 120.570 -0.065 0.000 2.163 129 I HA -0.264 3.896 4.170 -0.016 0.000 0.240 129 I C 2.711 178.849 176.117 0.034 0.000 1.081 129 I CA 1.154 62.438 61.300 -0.026 0.000 1.353 129 I CB -0.265 37.758 38.000 0.039 0.000 1.054 129 I HN 0.093 nan 8.210 nan 0.000 0.407 130 R N 0.986 121.531 120.500 0.074 0.000 2.091 130 R HA -0.116 4.214 4.340 -0.016 0.000 0.238 130 R C 1.642 177.975 176.300 0.055 0.000 1.136 130 R CA 1.404 57.555 56.100 0.086 0.000 0.959 130 R CB -0.398 29.971 30.300 0.115 0.000 0.856 130 R HN 0.410 nan 8.270 nan 0.000 0.437 131 N N 1.247 119.975 118.700 0.047 0.000 2.501 131 N HA -0.012 4.719 4.740 -0.016 0.000 0.195 131 N C -0.500 175.012 175.510 0.005 0.000 1.213 131 N CA 0.184 53.258 53.050 0.040 0.000 0.864 131 N CB 0.229 38.754 38.487 0.064 0.000 0.999 131 N HN 0.136 nan 8.380 nan 0.000 0.454 132 R N 0.057 120.546 120.500 -0.018 0.000 3.322 132 R HA -0.181 4.149 4.340 -0.016 0.000 0.253 132 R C -0.017 176.231 176.300 -0.087 0.000 0.987 132 R CA 0.291 56.362 56.100 -0.047 0.000 0.666 132 R CB -2.026 28.261 30.300 -0.021 0.000 1.072 132 R HN 0.240 nan 8.270 nan 0.000 0.447 133 A N 0.715 123.431 122.820 -0.173 0.000 2.520 133 A HA 0.161 4.472 4.320 -0.016 0.000 0.235 133 A C 1.496 178.933 177.584 -0.246 0.000 1.065 133 A CA 0.477 52.361 52.037 -0.255 0.000 0.764 133 A CB 0.345 18.973 19.000 -0.620 0.000 1.002 133 A HN 0.591 nan 8.150 nan 0.000 0.502 134 S N 1.608 117.255 115.700 -0.088 0.000 2.470 134 S HA -0.100 4.361 4.470 -0.016 0.000 0.225 134 S C 1.504 176.125 174.600 0.036 0.000 1.006 134 S CA 0.992 59.187 58.200 -0.009 0.000 0.934 134 S CB -0.406 62.836 63.200 0.070 0.000 0.778 134 S HN 1.000 nan 8.310 nan 0.000 0.517 135 W N 1.346 122.652 121.300 0.009 0.000 2.467 135 W HA 0.215 4.865 4.660 -0.016 0.000 0.275 135 W C 1.539 178.065 176.519 0.013 0.000 1.239 135 W CA -0.289 57.059 57.345 0.006 0.000 1.266 135 W CB -0.973 28.483 29.460 -0.006 0.000 1.112 135 W HN 0.235 nan 8.180 nan 0.000 0.576 136 I N 2.152 122.490 120.570 -0.386 0.000 2.145 136 I HA -0.368 3.792 4.170 -0.016 0.000 0.244 136 I C 2.442 178.529 176.117 -0.050 0.000 1.075 136 I CA 2.033 63.143 61.300 -0.316 0.000 1.332 136 I CB -0.414 37.316 38.000 -0.451 0.000 1.033 136 I HN -0.095 nan 8.210 nan 0.000 0.410 137 K N 0.360 120.736 120.400 -0.041 0.000 2.442 137 K HA -0.129 4.182 4.320 -0.016 0.000 0.199 137 K C 1.755 178.382 176.600 0.045 0.000 1.044 137 K CA 1.091 57.380 56.287 0.004 0.000 0.941 137 K CB -0.119 32.380 32.500 -0.002 0.000 0.759 137 K HN 0.392 nan 8.250 nan 0.000 0.472 138 A N 0.582 123.458 122.820 0.094 0.000 2.169 138 A HA 0.078 4.388 4.320 -0.016 0.000 0.210 138 A C 0.650 178.302 177.584 0.113 0.000 1.168 138 A CA -0.160 51.942 52.037 0.109 0.000 0.813 138 A CB 0.407 19.495 19.000 0.147 0.000 0.861 138 A HN 0.005 nan 8.150 nan 0.000 0.481 139 V N 2.363 122.363 119.914 0.143 0.000 2.493 139 V HA 0.079 4.189 4.120 -0.016 0.000 0.292 139 V C 1.532 177.667 176.094 0.068 0.000 1.016 139 V CA 0.921 63.301 62.300 0.134 0.000 1.097 139 V CB 0.686 32.609 31.823 0.167 0.000 0.947 139 V HN 0.621 nan 8.190 nan 0.000 0.479 140 S N 2.498 118.225 115.700 0.046 0.000 2.497 140 S HA 0.085 4.546 4.470 -0.016 0.000 0.218 140 S C 0.543 175.143 174.600 -0.000 0.000 1.023 140 S CA 0.106 58.315 58.200 0.016 0.000 0.913 140 S CB 0.378 63.580 63.200 0.004 0.000 0.800 140 S HN 0.735 nan 8.310 nan 0.000 0.505 141 C N 1.786 121.089 119.300 0.003 0.000 2.446 141 C HA 0.795 5.245 4.460 -0.016 0.000 0.329 141 C C -1.135 173.858 174.990 0.006 0.000 1.166 141 C CA -1.038 57.971 59.018 -0.015 0.000 1.341 141 C CB 0.569 28.284 27.740 -0.042 0.000 1.970 141 C HN 0.619 nan 8.230 nan 0.000 0.452 142 L N 7.386 128.604 121.223 -0.009 0.000 2.298 142 L HA 0.771 5.101 4.340 -0.016 0.000 0.284 142 L C -0.813 176.035 176.870 -0.036 0.000 1.013 142 L CA 0.024 54.863 54.840 -0.002 0.000 0.824 142 L CB 1.552 43.605 42.059 -0.010 0.000 1.221 142 L HN 0.559 nan 8.230 nan 0.000 0.418 143 V N 6.168 126.057 119.914 -0.042 0.000 2.370 143 V HA 0.382 4.493 4.120 -0.016 0.000 0.283 143 V C -0.188 175.771 176.094 -0.224 0.000 1.023 143 V CA -0.619 61.614 62.300 -0.112 0.000 0.857 143 V CB 1.646 33.426 31.823 -0.071 0.000 0.985 143 V HN 0.521 nan 8.190 nan 0.000 0.443 144 V N 4.636 124.442 119.914 -0.179 0.000 2.288 144 V HA 0.224 4.334 4.120 -0.016 0.000 0.266 144 V C 0.179 176.159 176.094 -0.191 0.000 1.048 144 V CA -0.441 61.754 62.300 -0.174 0.000 0.842 144 V CB 1.147 32.918 31.823 -0.087 0.000 1.064 144 V HN 0.960 nan 8.190 nan 0.000 0.472 145 D N 3.345 123.555 120.400 -0.318 0.000 2.357 145 D HA 0.069 4.700 4.640 -0.016 0.000 0.242 145 D C 0.790 177.053 176.300 -0.061 0.000 1.153 145 D CA 0.159 54.051 54.000 -0.179 0.000 0.918 145 D CB 0.573 41.256 40.800 -0.194 0.000 1.181 145 D HN 0.665 nan 8.370 nan 0.000 0.435 146 E N 0.485 120.710 120.200 0.043 0.000 2.238 146 E HA -0.267 4.073 4.350 -0.016 0.000 0.219 146 E C 0.962 177.426 176.600 -0.225 0.000 1.275 146 E CA 0.002 56.402 56.400 -0.001 0.000 0.714 146 E CB -1.075 28.595 29.700 -0.050 0.000 1.154 146 E HN 0.504 nan 8.360 nan 0.000 0.363 147 I N 0.651 121.188 120.570 -0.054 0.000 2.756 147 I HA -0.240 3.920 4.170 -0.016 0.000 0.262 147 I C 2.317 178.359 176.117 -0.126 0.000 1.225 147 I CA 1.254 62.504 61.300 -0.083 0.000 1.472 147 I CB -0.069 37.926 38.000 -0.009 0.000 1.094 147 I HN 0.416 nan 8.210 nan 0.000 0.454 148 H N -0.753 118.294 119.070 -0.038 0.000 2.521 148 H HA -0.099 4.447 4.556 -0.016 0.000 0.286 148 H C 1.746 177.047 175.328 -0.044 0.000 1.034 148 H CA 0.529 56.549 56.048 -0.046 0.000 1.278 148 H CB -0.579 29.172 29.762 -0.018 0.000 1.386 148 H HN 0.294 nan 8.280 nan 0.000 0.567 149 L N 0.994 121.860 121.223 -0.594 0.000 2.700 149 L HA -0.059 4.271 4.340 -0.016 0.000 0.240 149 L C 2.029 178.799 176.870 -0.166 0.000 1.162 149 L CA 0.272 54.909 54.840 -0.338 0.000 0.874 149 L CB -0.753 41.109 42.059 -0.329 0.000 1.001 149 L HN 0.199 nan 8.230 nan 0.000 0.447 150 L N -0.448 120.674 121.223 -0.168 0.000 2.362 150 L HA -0.170 4.161 4.340 -0.016 0.000 0.219 150 L C 2.033 178.864 176.870 -0.065 0.000 1.134 150 L CA 1.462 56.200 54.840 -0.169 0.000 0.807 150 L CB -0.601 41.238 42.059 -0.367 0.000 0.927 150 L HN 0.399 nan 8.230 nan 0.000 0.447 151 D N -1.653 118.732 120.400 -0.026 0.000 2.348 151 D HA -0.075 4.555 4.640 -0.016 0.000 0.211 151 D C 0.616 176.941 176.300 0.043 0.000 0.998 151 D CA 0.073 54.098 54.000 0.042 0.000 0.873 151 D CB 0.416 41.252 40.800 0.060 0.000 0.925 151 D HN 0.228 nan 8.370 nan 0.000 0.524 152 S N 0.875 116.581 115.700 0.010 0.000 2.443 152 S HA -0.006 4.455 4.470 -0.016 0.000 0.284 152 S C 1.015 175.643 174.600 0.047 0.000 1.206 152 S CA -0.274 57.938 58.200 0.019 0.000 1.074 152 S CB 1.036 64.228 63.200 -0.015 0.000 0.963 152 S HN 0.123 nan 8.310 nan 0.000 0.501 153 E N 3.882 124.128 120.200 0.076 0.000 2.273 153 E HA -0.197 4.143 4.350 -0.016 0.000 0.198 153 E C 1.813 178.508 176.600 0.159 0.000 1.002 153 E CA 1.548 58.024 56.400 0.126 0.000 0.828 153 E CB 0.102 29.861 29.700 0.098 0.000 0.747 153 E HN 0.772 nan 8.360 nan 0.000 0.491 154 K N -0.826 119.616 120.400 0.070 0.000 2.190 154 K HA 0.023 4.333 4.320 -0.016 0.000 0.202 154 K C 2.010 178.570 176.600 -0.066 0.000 1.045 154 K CA 0.274 56.574 56.287 0.021 0.000 0.976 154 K CB 0.188 32.701 32.500 0.022 0.000 0.849 154 K HN -0.136 nan 8.250 nan 0.000 0.468 155 R N 0.408 120.881 120.500 -0.046 0.000 2.057 155 R HA 0.152 4.483 4.340 -0.016 0.000 0.224 155 R C 2.211 178.462 176.300 -0.082 0.000 1.136 155 R CA 1.393 57.452 56.100 -0.067 0.000 0.968 155 R CB -1.038 29.229 30.300 -0.055 0.000 0.863 155 R HN 0.435 nan 8.270 nan 0.000 0.433 156 G N 0.810 109.574 108.800 -0.060 0.000 2.843 156 G HA2 -0.429 3.522 3.960 -0.016 0.000 0.232 156 G HA3 -0.429 3.522 3.960 -0.016 0.000 0.232 156 G C 1.563 176.416 174.900 -0.078 0.000 1.186 156 G CA 2.025 47.090 45.100 -0.057 0.000 0.766 156 G HN 0.483 nan 8.290 nan 0.000 0.647 157 A N -0.364 122.398 122.820 -0.096 0.000 1.929 157 A HA -0.208 4.102 4.320 -0.016 0.000 0.221 157 A C 2.577 180.009 177.584 -0.252 0.000 1.211 157 A CA 3.400 55.344 52.037 -0.155 0.000 0.657 157 A CB -1.318 17.545 19.000 -0.229 0.000 0.827 157 A HN 0.533 nan 8.150 nan 0.000 0.462 158 T N 0.033 114.506 114.554 -0.135 0.000 2.777 158 T HA -0.038 4.303 4.350 -0.016 0.000 0.266 158 T C 1.834 176.516 174.700 -0.031 0.000 1.040 158 T CA 1.273 63.357 62.100 -0.027 0.000 1.141 158 T CB -0.384 68.531 68.868 0.079 0.000 0.868 158 T HN 0.363 nan 8.240 nan 0.000 0.444 159 L N 0.881 122.084 121.223 -0.032 0.000 1.989 159 L HA -0.154 4.176 4.340 -0.016 0.000 0.211 159 L C 2.927 179.838 176.870 0.068 0.000 1.071 159 L CA 1.651 56.496 54.840 0.009 0.000 0.749 159 L CB -0.605 41.444 42.059 -0.018 0.000 0.890 159 L HN 0.363 nan 8.230 nan 0.000 0.431 160 E N 0.026 120.233 120.200 0.011 0.000 2.058 160 E HA -0.250 4.090 4.350 -0.016 0.000 0.194 160 E C 2.189 178.829 176.600 0.066 0.000 0.997 160 E CA 1.283 57.720 56.400 0.061 0.000 0.801 160 E CB -0.089 29.558 29.700 -0.090 0.000 0.746 160 E HN 0.415 nan 8.360 nan 0.000 0.450 161 I N 1.306 121.819 120.570 -0.095 0.000 2.252 161 I HA -0.215 3.946 4.170 -0.016 0.000 0.245 161 I C 2.582 178.717 176.117 0.030 0.000 1.102 161 I CA 0.901 62.155 61.300 -0.077 0.000 1.385 161 I CB -1.073 36.750 38.000 -0.296 0.000 1.064 161 I HN 0.194 nan 8.210 nan 0.000 0.414 162 L N 0.676 121.921 121.223 0.036 0.000 1.956 162 L HA -0.254 4.077 4.340 -0.016 0.000 0.216 162 L C 2.745 179.643 176.870 0.046 0.000 1.073 162 L CA 1.754 56.627 54.840 0.055 0.000 0.762 162 L CB -0.254 41.838 42.059 0.055 0.000 0.889 162 L HN -0.016 nan 8.230 nan 0.000 0.433 163 V N -0.010 119.938 119.914 0.058 0.000 2.250 163 V HA -0.406 3.704 4.120 -0.016 0.000 0.250 163 V C 2.533 178.619 176.094 -0.013 0.000 1.060 163 V CA 2.606 64.914 62.300 0.014 0.000 1.030 163 V CB -1.203 30.638 31.823 0.030 0.000 0.643 163 V HN 0.597 nan 8.190 nan 0.000 0.445 164 T N -0.389 114.178 114.554 0.021 0.000 2.580 164 T HA -0.281 4.060 4.350 -0.016 0.000 0.265 164 T C 1.906 176.566 174.700 -0.066 0.000 1.063 164 T CA 1.996 64.033 62.100 -0.105 0.000 1.170 164 T CB -0.357 68.321 68.868 -0.317 0.000 0.863 164 T HN 0.453 nan 8.240 nan 0.000 0.418 165 K N 0.531 120.955 120.400 0.040 0.000 2.077 165 K HA -0.136 4.174 4.320 -0.016 0.000 0.213 165 K C 2.487 179.188 176.600 0.168 0.000 1.051 165 K CA 1.672 57.992 56.287 0.055 0.000 0.929 165 K CB -0.288 32.141 32.500 -0.118 0.000 0.715 165 K HN 0.320 nan 8.250 nan 0.000 0.451 166 M N 0.171 119.823 119.600 0.086 0.000 2.117 166 M HA -0.169 4.302 4.480 -0.016 0.000 0.262 166 M C 2.191 178.520 176.300 0.048 0.000 1.065 166 M CA 1.634 56.975 55.300 0.070 0.000 1.114 166 M CB -0.411 32.206 32.600 0.028 0.000 1.361 166 M HN 0.161 nan 8.290 nan 0.000 0.408 167 R N -0.248 120.254 120.500 0.004 0.000 2.070 167 R HA -0.080 4.251 4.340 -0.016 0.000 0.233 167 R C 2.206 178.516 176.300 0.018 0.000 1.137 167 R CA 1.087 57.172 56.100 -0.025 0.000 0.945 167 R CB -0.456 29.789 30.300 -0.091 0.000 0.845 167 R HN 0.396 nan 8.270 nan 0.000 0.430 168 R N 0.270 120.801 120.500 0.053 0.000 2.200 168 R HA -0.088 4.242 4.340 -0.016 0.000 0.234 168 R C 2.159 178.541 176.300 0.137 0.000 1.127 168 R CA 1.261 57.427 56.100 0.110 0.000 0.989 168 R CB -0.146 30.279 30.300 0.209 0.000 0.869 168 R HN 0.306 nan 8.270 nan 0.000 0.459 169 M N -0.717 118.974 119.600 0.152 0.000 2.248 169 M HA -0.060 4.410 4.480 -0.016 0.000 0.265 169 M C 0.789 177.118 176.300 0.048 0.000 1.079 169 M CA 0.990 56.352 55.300 0.103 0.000 1.150 169 M CB 0.191 32.863 32.600 0.120 0.000 1.366 169 M HN 0.019 nan 8.290 nan 0.000 0.433 170 N N 0.467 119.190 118.700 0.038 0.000 2.531 170 N HA 0.075 4.805 4.740 -0.016 0.000 0.268 170 N C 0.334 175.848 175.510 0.006 0.000 1.023 170 N CA -0.185 52.875 53.050 0.018 0.000 0.896 170 N CB 0.975 39.471 38.487 0.015 0.000 1.233 170 N HN -0.116 nan 8.380 nan 0.000 0.512 171 K N 2.712 123.114 120.400 0.004 0.000 2.097 171 K HA -0.018 4.293 4.320 -0.016 0.000 0.206 171 K C 1.369 177.962 176.600 -0.012 0.000 1.049 171 K CA 0.983 57.266 56.287 -0.006 0.000 0.933 171 K CB -0.243 32.256 32.500 -0.002 0.000 0.717 171 K HN 0.690 nan 8.250 nan 0.000 0.442 172 A N 0.938 123.754 122.820 -0.008 0.000 2.239 172 A HA -0.016 4.294 4.320 -0.016 0.000 0.209 172 A C 0.829 178.404 177.584 -0.015 0.000 1.171 172 A CA -0.152 51.879 52.037 -0.011 0.000 0.768 172 A CB -0.387 18.610 19.000 -0.005 0.000 0.790 172 A HN 0.251 nan 8.150 nan 0.000 0.478 173 L N 0.356 121.569 121.223 -0.016 0.000 2.453 173 L HA 0.203 4.533 4.340 -0.016 0.000 0.272 173 L C 0.618 177.465 176.870 -0.038 0.000 1.182 173 L CA 0.148 54.976 54.840 -0.021 0.000 0.858 173 L CB 0.258 42.306 42.059 -0.019 0.000 1.120 173 L HN 0.332 nan 8.230 nan 0.000 0.474 174 R N 4.896 125.373 120.500 -0.039 0.000 2.215 174 R HA 0.510 4.841 4.340 -0.016 0.000 0.337 174 R C -1.599 174.665 176.300 -0.060 0.000 1.010 174 R CA -0.659 55.410 56.100 -0.051 0.000 0.871 174 R CB 0.712 30.982 30.300 -0.050 0.000 1.134 174 R HN 0.613 nan 8.270 nan 0.000 0.477 175 V N 6.882 126.749 119.914 -0.080 0.000 2.465 175 V HA 0.360 4.471 4.120 -0.016 0.000 0.279 175 V C 0.374 176.420 176.094 -0.080 0.000 1.045 175 V CA -0.479 61.764 62.300 -0.094 0.000 0.938 175 V CB 1.510 33.244 31.823 -0.148 0.000 0.986 175 V HN 0.703 nan 8.190 nan 0.000 0.467 176 I N 4.081 124.610 120.570 -0.068 0.000 2.448 176 I HA 0.490 4.651 4.170 -0.016 0.000 0.281 176 I C 0.663 176.754 176.117 -0.043 0.000 1.027 176 I CA -0.199 61.074 61.300 -0.045 0.000 1.111 176 I CB 1.639 39.616 38.000 -0.039 0.000 1.236 176 I HN 0.739 nan 8.210 nan 0.000 0.452 177 G N 7.161 115.947 108.800 -0.023 0.000 2.367 177 G HA2 0.726 4.676 3.960 -0.016 0.000 0.314 177 G HA3 0.726 4.676 3.960 -0.016 0.000 0.314 177 G C -0.771 174.150 174.900 0.035 0.000 1.130 177 G CA -0.457 44.637 45.100 -0.010 0.000 0.864 177 G HN 0.453 nan 8.290 nan 0.000 0.486 178 L N 2.126 123.373 121.223 0.040 0.000 2.349 178 L HA 0.639 4.969 4.340 -0.016 0.000 0.278 178 L C 0.196 177.147 176.870 0.135 0.000 0.996 178 L CA -0.735 54.162 54.840 0.094 0.000 0.825 178 L CB 1.867 43.987 42.059 0.102 0.000 1.243 178 L HN 0.661 nan 8.230 nan 0.000 0.412 179 S N 2.225 118.017 115.700 0.152 0.000 2.618 179 S HA 0.881 5.341 4.470 -0.016 0.000 0.277 179 S C -0.393 174.237 174.600 0.050 0.000 1.138 179 S CA -0.446 57.883 58.200 0.214 0.000 0.844 179 S CB 2.015 65.334 63.200 0.198 0.000 1.127 179 S HN 0.696 nan 8.310 nan 0.000 0.474 180 A N 1.618 124.306 122.820 -0.219 0.000 2.327 180 A HA 0.624 4.935 4.320 -0.016 0.000 0.255 180 A C 0.828 178.314 177.584 -0.163 0.000 1.099 180 A CA 0.028 51.871 52.037 -0.324 0.000 0.801 180 A CB -0.656 17.927 19.000 -0.695 0.000 1.062 180 A HN 1.524 nan 8.150 nan 0.000 0.496 181 T N -0.988 113.493 114.554 -0.121 0.000 2.870 181 T HA 0.560 4.901 4.350 -0.016 0.000 0.300 181 T C -0.106 174.557 174.700 -0.063 0.000 0.989 181 T CA 0.230 62.291 62.100 -0.065 0.000 1.139 181 T CB 0.599 69.435 68.868 -0.053 0.000 0.920 181 T HN 1.879 nan 8.240 nan 0.000 0.537 182 A N 4.400 127.201 122.820 -0.032 0.000 2.612 182 A HA 0.759 5.070 4.320 -0.016 0.000 0.293 182 A C -2.150 175.427 177.584 -0.012 0.000 1.075 182 A CA -1.537 50.490 52.037 -0.017 0.000 0.680 182 A CB 1.099 20.102 19.000 0.004 0.000 1.279 182 A HN 0.526 nan 8.150 nan 0.000 0.411 183 P HA -0.117 nan 4.420 nan 0.000 0.214 183 P C 0.624 177.913 177.300 -0.019 0.000 1.162 183 P CA 1.603 64.694 63.100 -0.016 0.000 0.879 183 P CB -0.125 31.566 31.700 -0.015 0.000 0.786 184 N N 0.937 119.638 118.700 0.002 0.000 2.434 184 N HA -0.047 4.683 4.740 -0.016 0.000 0.196 184 N C 1.522 177.047 175.510 0.026 0.000 1.183 184 N CA 0.550 53.608 53.050 0.013 0.000 0.849 184 N CB -1.328 37.187 38.487 0.046 0.000 0.992 184 N HN 0.130 nan 8.380 nan 0.000 0.460 185 V N -1.410 118.506 119.914 0.003 0.000 2.636 185 V HA -0.267 3.843 4.120 -0.016 0.000 0.258 185 V C 1.857 177.921 176.094 -0.050 0.000 1.092 185 V CA 2.188 64.490 62.300 0.004 0.000 1.110 185 V CB -1.785 30.038 31.823 0.000 0.000 0.685 185 V HN 0.292 nan 8.190 nan 0.000 0.481 186 T N 1.696 116.154 114.554 -0.159 0.000 2.857 186 T HA -0.153 4.187 4.350 -0.016 0.000 0.266 186 T C 1.725 176.346 174.700 -0.132 0.000 1.048 186 T CA 1.603 63.493 62.100 -0.350 0.000 1.139 186 T CB -0.420 68.143 68.868 -0.509 0.000 0.874 186 T HN 0.927 nan 8.240 nan 0.000 0.455 187 E N 1.517 121.714 120.200 -0.007 0.000 2.204 187 E HA -0.075 4.265 4.350 -0.016 0.000 0.194 187 E C 2.083 178.862 176.600 0.298 0.000 0.989 187 E CA 0.775 57.232 56.400 0.095 0.000 0.824 187 E CB -0.675 29.060 29.700 0.058 0.000 0.756 187 E HN 0.470 nan 8.360 nan 0.000 0.477 188 I N 1.958 122.730 120.570 0.338 0.000 2.142 188 I HA -0.268 3.892 4.170 -0.016 0.000 0.240 188 I C 2.790 179.093 176.117 0.311 0.000 1.078 188 I CA 1.215 62.766 61.300 0.418 0.000 1.343 188 I CB -0.480 37.607 38.000 0.145 0.000 1.046 188 I HN 0.216 nan 8.210 nan 0.000 0.405 189 A N 0.384 123.291 122.820 0.144 0.000 1.948 189 A HA -0.260 4.051 4.320 -0.016 0.000 0.220 189 A C 2.183 179.831 177.584 0.106 0.000 1.177 189 A CA 1.940 54.039 52.037 0.102 0.000 0.636 189 A CB -0.615 18.433 19.000 0.081 0.000 0.815 189 A HN 0.493 nan 8.150 nan 0.000 0.449 190 E N -1.783 118.493 120.200 0.127 0.000 2.028 190 E HA -0.216 4.124 4.350 -0.016 0.000 0.191 190 E C 1.750 178.451 176.600 0.169 0.000 0.988 190 E CA 1.217 57.689 56.400 0.121 0.000 0.799 190 E CB -0.309 29.448 29.700 0.096 0.000 0.755 190 E HN 0.879 nan 8.360 nan 0.000 0.447 191 W N 1.455 122.817 121.300 0.102 0.000 2.341 191 W HA -0.153 4.498 4.660 -0.016 0.000 0.283 191 W C 1.280 177.853 176.519 0.089 0.000 1.215 191 W CA 1.220 58.643 57.345 0.130 0.000 1.211 191 W CB -0.102 29.549 29.460 0.319 0.000 1.131 191 W HN -0.015 nan 8.180 nan 0.000 0.552 192 L N 0.735 121.829 121.223 -0.215 0.000 2.567 192 L HA 0.048 4.378 4.340 -0.016 0.000 0.225 192 L C 0.353 177.106 176.870 -0.195 0.000 1.119 192 L CA 0.468 55.067 54.840 -0.402 0.000 0.871 192 L CB -0.521 41.365 42.059 -0.289 0.000 1.036 192 L HN -0.173 nan 8.230 nan 0.000 0.459 193 D N 0.764 121.118 120.400 -0.077 0.000 2.705 193 D HA -0.144 4.486 4.640 -0.016 0.000 0.240 193 D C 0.030 176.324 176.300 -0.010 0.000 1.137 193 D CA 0.941 54.924 54.000 -0.028 0.000 0.677 193 D CB -0.661 40.109 40.800 -0.050 0.000 1.049 193 D HN 0.368 nan 8.370 nan 0.000 0.427 194 A N 0.466 123.303 122.820 0.029 0.000 2.435 194 A HA 0.534 4.844 4.320 -0.016 0.000 0.304 194 A C -0.497 177.165 177.584 0.130 0.000 1.064 194 A CA -0.779 51.289 52.037 0.052 0.000 0.727 194 A CB 1.491 20.507 19.000 0.028 0.000 1.284 194 A HN -0.064 nan 8.150 nan 0.000 0.415 195 D N 1.964 122.421 120.400 0.095 0.000 2.371 195 D HA 0.406 5.037 4.640 -0.016 0.000 0.256 195 D C 0.047 176.437 176.300 0.150 0.000 1.193 195 D CA 0.865 54.915 54.000 0.083 0.000 0.881 195 D CB 0.163 40.968 40.800 0.007 0.000 1.143 195 D HN 0.460 nan 8.370 nan 0.000 0.473 196 Y N 0.410 120.749 120.300 0.064 0.000 2.418 196 Y HA 0.600 5.140 4.550 -0.016 0.000 0.327 196 Y C -0.663 175.319 175.900 0.138 0.000 1.309 196 Y CA -1.374 56.776 58.100 0.082 0.000 1.423 196 Y CB 0.759 39.250 38.460 0.051 0.000 1.423 196 Y HN 0.324 nan 8.280 nan 0.000 0.532 197 Y N 0.273 120.665 120.300 0.152 0.000 2.313 197 Y HA 0.562 5.102 4.550 -0.016 0.000 0.320 197 Y C -2.232 173.751 175.900 0.139 0.000 1.171 197 Y CA -1.192 56.936 58.100 0.048 0.000 1.093 197 Y CB 1.100 39.570 38.460 0.017 0.000 1.224 197 Y HN 0.668 nan 8.280 nan 0.000 0.421 198 V N 4.600 124.161 119.914 -0.588 0.000 2.864 198 V HA 0.893 5.004 4.120 -0.016 0.000 0.314 198 V C -0.581 175.218 176.094 -0.492 0.000 1.073 198 V CA -0.551 61.548 62.300 -0.335 0.000 0.956 198 V CB 1.860 33.647 31.823 -0.060 0.000 1.023 198 V HN 0.750 nan 8.190 nan 0.000 0.435 199 S N 0.797 116.392 115.700 -0.175 0.000 2.565 199 S HA 0.388 4.849 4.470 -0.016 0.000 0.274 199 S C -0.889 173.759 174.600 0.080 0.000 1.144 199 S CA -0.497 57.685 58.200 -0.031 0.000 0.849 199 S CB 2.042 65.304 63.200 0.103 0.000 1.103 199 S HN 0.746 nan 8.310 nan 0.000 0.455 200 D N 1.229 121.690 120.400 0.101 0.000 2.369 200 D HA 0.166 4.797 4.640 -0.016 0.000 0.211 200 D C -0.124 176.238 176.300 0.105 0.000 1.077 200 D CA -0.038 54.004 54.000 0.071 0.000 0.842 200 D CB 0.080 40.905 40.800 0.042 0.000 0.947 200 D HN 0.535 nan 8.370 nan 0.000 0.509 201 W N 2.470 123.797 121.300 0.045 0.000 2.257 201 W HA 0.086 4.736 4.660 -0.016 0.000 0.337 201 W C 0.274 176.832 176.519 0.064 0.000 1.321 201 W CA 0.109 57.492 57.345 0.063 0.000 1.267 201 W CB 0.357 29.873 29.460 0.094 0.000 1.187 201 W HN -0.292 nan 8.180 nan 0.000 0.565 202 R N 6.643 126.414 120.500 -1.215 0.000 2.621 202 R HA 0.246 4.577 4.340 -0.016 0.000 0.284 202 R C -1.845 173.633 176.300 -1.369 0.000 0.998 202 R CA -1.583 53.856 56.100 -1.101 0.000 0.895 202 R CB 2.075 32.094 30.300 -0.468 0.000 1.195 202 R HN 0.226 nan 8.270 nan 0.000 0.450 203 P HA -0.107 nan 4.420 nan 0.000 0.214 203 P C -0.195 177.002 177.300 -0.172 0.000 1.163 203 P CA 0.777 63.623 63.100 -0.424 0.000 0.883 203 P CB 0.287 31.876 31.700 -0.185 0.000 0.788 204 V N 2.252 122.059 119.914 -0.178 0.000 2.328 204 V HA 0.235 4.345 4.120 -0.016 0.000 0.278 204 V C -2.021 174.009 176.094 -0.107 0.000 1.021 204 V CA -2.102 60.145 62.300 -0.088 0.000 0.838 204 V CB 0.830 32.620 31.823 -0.055 0.000 0.999 204 V HN 0.073 nan 8.190 nan 0.000 0.447 205 P HA 0.006 nan 4.420 nan 0.000 0.269 205 P C -0.790 176.484 177.300 -0.043 0.000 1.205 205 P CA -0.090 62.978 63.100 -0.053 0.000 0.780 205 P CB 1.141 32.841 31.700 -0.001 0.000 0.858 206 L N 2.556 123.754 121.223 -0.042 0.000 2.365 206 L HA 0.487 4.817 4.340 -0.016 0.000 0.273 206 L C -1.135 175.732 176.870 -0.005 0.000 1.000 206 L CA -0.763 54.058 54.840 -0.032 0.000 0.819 206 L CB 2.184 44.203 42.059 -0.066 0.000 1.284 206 L HN 0.081 nan 8.230 nan 0.000 0.418 207 V N 4.051 123.976 119.914 0.020 0.000 2.409 207 V HA 0.473 4.584 4.120 -0.016 0.000 0.291 207 V C -0.395 175.738 176.094 0.066 0.000 1.020 207 V CA -0.583 61.750 62.300 0.055 0.000 0.848 207 V CB 1.325 33.192 31.823 0.073 0.000 0.990 207 V HN 0.774 nan 8.190 nan 0.000 0.430 208 E N 3.193 123.433 120.200 0.067 0.000 2.134 208 E HA 0.638 4.978 4.350 -0.016 0.000 0.278 208 E C 0.136 176.854 176.600 0.195 0.000 0.959 208 E CA -0.289 56.160 56.400 0.082 0.000 0.783 208 E CB 2.052 31.751 29.700 -0.003 0.000 1.095 208 E HN 0.853 nan 8.360 nan 0.000 0.399 209 G N 1.538 110.458 108.800 0.199 0.000 2.591 209 G HA2 0.432 4.383 3.960 -0.016 0.000 0.306 209 G HA3 0.432 4.383 3.960 -0.016 0.000 0.306 209 G C -1.220 173.788 174.900 0.180 0.000 1.334 209 G CA -0.481 44.789 45.100 0.284 0.000 0.981 209 G HN 0.395 nan 8.290 nan 0.000 0.491 210 V N 2.715 122.767 119.914 0.229 0.000 2.617 210 V HA 0.755 4.866 4.120 -0.016 0.000 0.298 210 V C -0.415 175.736 176.094 0.095 0.000 1.048 210 V CA -0.951 61.418 62.300 0.115 0.000 0.964 210 V CB 1.488 33.388 31.823 0.128 0.000 1.004 210 V HN 0.679 nan 8.190 nan 0.000 0.466 211 L N 6.921 128.170 121.223 0.043 0.000 2.316 211 L HA 0.620 4.951 4.340 -0.016 0.000 0.280 211 L C -0.826 176.062 176.870 0.031 0.000 1.006 211 L CA -0.118 54.745 54.840 0.037 0.000 0.836 211 L CB 1.006 43.075 42.059 0.017 0.000 1.221 211 L HN 0.829 nan 8.230 nan 0.000 0.418 212 C N 3.511 122.838 119.300 0.044 0.000 2.614 212 C HA 0.291 4.741 4.460 -0.016 0.000 0.320 212 C C 0.394 175.410 174.990 0.042 0.000 1.200 212 C CA -0.571 58.473 59.018 0.043 0.000 1.700 212 C CB 1.690 29.461 27.740 0.052 0.000 2.275 212 C HN 0.955 nan 8.230 nan 0.000 0.492 213 E N 1.639 121.863 120.200 0.040 0.000 0.985 213 E HA -0.187 4.153 4.350 -0.016 0.000 0.215 213 E C 1.228 177.852 176.600 0.040 0.000 0.760 213 E CA 1.110 57.533 56.400 0.039 0.000 0.626 213 E CB -0.879 28.842 29.700 0.036 0.000 0.985 213 E HN 1.477 nan 8.360 nan 0.000 0.259 214 G N 2.454 111.281 108.800 0.045 0.000 2.196 214 G HA2 -0.345 3.606 3.960 -0.016 0.000 0.268 214 G HA3 -0.345 3.606 3.960 -0.016 0.000 0.268 214 G C 0.311 175.237 174.900 0.043 0.000 0.975 214 G CA 0.776 45.904 45.100 0.046 0.000 0.648 214 G HN 0.569 nan 8.290 nan 0.000 0.538 215 T N 0.348 114.927 114.554 0.040 0.000 2.797 215 T HA 0.594 4.934 4.350 -0.016 0.000 0.279 215 T C -0.490 174.235 174.700 0.040 0.000 0.991 215 T CA -0.389 61.732 62.100 0.036 0.000 0.979 215 T CB 2.349 71.235 68.868 0.030 0.000 0.943 215 T HN 0.721 nan 8.240 nan 0.000 0.444 216 L N 2.946 124.190 121.223 0.035 0.000 2.318 216 L HA 0.496 4.827 4.340 -0.016 0.000 0.277 216 L C -0.139 176.741 176.870 0.016 0.000 1.008 216 L CA -0.363 54.502 54.840 0.041 0.000 0.846 216 L CB 1.066 43.154 42.059 0.048 0.000 1.220 216 L HN 0.663 nan 8.230 nan 0.000 0.423 217 E N 5.406 125.617 120.200 0.018 0.000 2.014 217 E HA 0.289 4.629 4.350 -0.016 0.000 0.275 217 E C -1.105 175.417 176.600 -0.130 0.000 0.997 217 E CA -0.435 55.903 56.400 -0.104 0.000 0.804 217 E CB 0.626 30.243 29.700 -0.139 0.000 1.090 217 E HN 0.685 nan 8.360 nan 0.000 0.401 218 L N 5.042 126.197 121.223 -0.114 0.000 2.319 218 L HA 0.269 4.600 4.340 -0.016 0.000 0.280 218 L C -0.599 176.215 176.870 -0.093 0.000 1.099 218 L CA -0.400 54.439 54.840 -0.002 0.000 0.828 218 L CB 0.394 42.472 42.059 0.031 0.000 1.150 218 L HN 0.547 nan 8.230 nan 0.000 0.442 219 F N 1.562 121.558 119.950 0.078 0.000 2.361 219 F HA 0.178 4.695 4.527 -0.016 0.000 0.364 219 F C 0.332 176.185 175.800 0.088 0.000 1.120 219 F CA -0.749 57.321 58.000 0.115 0.000 1.102 219 F CB 0.896 39.953 39.000 0.096 0.000 1.183 219 F HN 0.372 nan 8.300 nan 0.000 0.476 220 D N 2.886 123.445 120.400 0.265 0.000 2.518 220 D HA 0.454 5.084 4.640 -0.016 0.000 0.230 220 D C 0.851 177.282 176.300 0.218 0.000 1.138 220 D CA 0.821 54.946 54.000 0.209 0.000 0.964 220 D CB 0.112 41.029 40.800 0.194 0.000 1.011 220 D HN 0.728 nan 8.370 nan 0.000 0.517 221 G N 2.683 111.599 108.800 0.193 0.000 3.274 221 G HA2 -0.376 3.574 3.960 -0.016 0.000 0.313 221 G HA3 -0.376 3.574 3.960 -0.016 0.000 0.313 221 G C 1.123 176.142 174.900 0.198 0.000 1.295 221 G CA 0.405 45.599 45.100 0.157 0.000 1.004 221 G HN 0.852 nan 8.290 nan 0.000 0.614 222 A N -0.535 122.269 122.820 -0.026 0.000 2.252 222 A HA 0.740 5.050 4.320 -0.016 0.000 0.213 222 A C 0.792 178.232 177.584 -0.239 0.000 1.188 222 A CA 0.785 52.709 52.037 -0.190 0.000 0.863 222 A CB 0.146 18.874 19.000 -0.454 0.000 0.893 222 A HN 0.529 nan 8.150 nan 0.000 0.495 223 F N 0.307 120.349 119.950 0.152 0.000 2.452 223 F HA 0.643 5.160 4.527 -0.016 0.000 0.353 223 F C 0.880 176.707 175.800 0.046 0.000 1.089 223 F CA -0.661 57.389 58.000 0.085 0.000 1.080 223 F CB 1.078 40.108 39.000 0.049 0.000 1.399 223 F HN 0.054 nan 8.300 nan 0.000 0.492 224 S N -1.719 114.087 115.700 0.177 0.000 2.596 224 S HA 0.714 5.174 4.470 -0.016 0.000 0.270 224 S C -1.238 173.315 174.600 -0.079 0.000 1.155 224 S CA -0.850 57.282 58.200 -0.114 0.000 0.827 224 S CB 1.732 64.734 63.200 -0.331 0.000 1.130 224 S HN 0.436 nan 8.310 nan 0.000 0.467 225 T N 1.512 115.987 114.554 -0.132 0.000 3.298 225 T HA 0.404 4.744 4.350 -0.016 0.000 0.318 225 T C -0.391 174.264 174.700 -0.074 0.000 1.165 225 T CA -0.456 61.600 62.100 -0.074 0.000 1.557 225 T CB 0.573 69.419 68.868 -0.037 0.000 0.898 225 T HN 0.593 nan 8.240 nan 0.000 0.585 226 S N 2.762 118.419 115.700 -0.073 0.000 2.573 226 S HA 0.536 4.996 4.470 -0.016 0.000 0.277 226 S C 0.459 175.047 174.600 -0.020 0.000 1.346 226 S CA -0.379 57.793 58.200 -0.046 0.000 1.034 226 S CB 0.789 63.969 63.200 -0.034 0.000 0.879 226 S HN 0.718 nan 8.310 nan 0.000 0.528 227 R N 0.612 121.109 120.500 -0.004 0.000 2.712 227 R HA 0.373 4.703 4.340 -0.016 0.000 0.272 227 R C -1.677 174.634 176.300 0.018 0.000 1.032 227 R CA -0.799 55.305 56.100 0.007 0.000 0.874 227 R CB 1.128 31.434 30.300 0.011 0.000 1.256 227 R HN 0.613 nan 8.270 nan 0.000 0.468 228 R N 2.433 122.946 120.500 0.021 0.000 2.215 228 R HA 0.477 4.808 4.340 -0.016 0.000 0.336 228 R C -1.150 175.171 176.300 0.035 0.000 0.996 228 R CA -0.413 55.703 56.100 0.028 0.000 0.847 228 R CB 0.968 31.282 30.300 0.024 0.000 1.127 228 R HN 0.427 nan 8.270 nan 0.000 0.465 229 V N 0.254 120.196 119.914 0.045 0.000 3.178 229 V HA 0.560 4.670 4.120 -0.016 0.000 0.302 229 V C -1.117 175.022 176.094 0.075 0.000 1.262 229 V CA -1.298 61.035 62.300 0.057 0.000 1.030 229 V CB 2.280 34.140 31.823 0.060 0.000 1.074 229 V HN 0.596 nan 8.190 nan 0.000 0.438 230 K N 1.334 121.786 120.400 0.087 0.000 2.259 230 K HA 0.490 4.800 4.320 -0.016 0.000 0.252 230 K C 0.397 177.108 176.600 0.185 0.000 0.936 230 K CA -0.703 55.655 56.287 0.119 0.000 0.810 230 K CB 2.721 35.273 32.500 0.088 0.000 1.143 230 K HN 0.795 nan 8.250 nan 0.000 0.427 231 F N 2.421 122.389 119.950 0.029 0.000 2.054 231 F HA -0.414 4.105 4.527 -0.014 0.000 0.294 231 F C 2.200 178.016 175.800 0.027 0.000 1.126 231 F CA 2.107 60.126 58.000 0.030 0.000 1.226 231 F CB 0.142 39.160 39.000 0.029 0.000 0.947 231 F HN 0.804 nan 8.300 nan 0.000 0.509 232 E N 0.030 120.138 120.200 -0.153 0.000 2.208 232 E HA -0.332 4.008 4.350 -0.016 0.000 0.202 232 E C 1.914 178.443 176.600 -0.117 0.000 1.014 232 E CA 1.995 58.218 56.400 -0.295 0.000 0.819 232 E CB -0.181 29.416 29.700 -0.172 0.000 0.735 232 E HN 0.639 nan 8.360 nan 0.000 0.469 233 E N -0.430 119.767 120.200 -0.005 0.000 2.076 233 E HA -0.070 4.271 4.350 -0.016 0.000 0.190 233 E C 2.091 178.717 176.600 0.045 0.000 0.979 233 E CA 0.499 56.913 56.400 0.023 0.000 0.807 233 E CB 0.021 29.747 29.700 0.044 0.000 0.761 233 E HN 0.260 nan 8.360 nan 0.000 0.454 234 L N 0.340 121.623 121.223 0.101 0.000 2.081 234 L HA -0.241 4.090 4.340 -0.016 0.000 0.212 234 L C 2.300 179.229 176.870 0.098 0.000 1.080 234 L CA 0.865 55.779 54.840 0.123 0.000 0.754 234 L CB -0.328 41.851 42.059 0.199 0.000 0.893 234 L HN 0.130 nan 8.230 nan 0.000 0.433 235 V N -0.544 119.415 119.914 0.075 0.000 2.244 235 V HA -0.302 3.808 4.120 -0.016 0.000 0.244 235 V C 2.375 178.443 176.094 -0.044 0.000 1.042 235 V CA 2.042 64.353 62.300 0.018 0.000 1.006 235 V CB -0.531 31.236 31.823 -0.095 0.000 0.641 235 V HN 0.459 nan 8.190 nan 0.000 0.446 236 E N -0.059 120.098 120.200 -0.071 0.000 2.085 236 E HA -0.261 4.079 4.350 -0.016 0.000 0.194 236 E C 2.211 178.774 176.600 -0.062 0.000 0.994 236 E CA 1.548 57.887 56.400 -0.101 0.000 0.801 236 E CB -0.068 29.615 29.700 -0.029 0.000 0.743 236 E HN 0.674 nan 8.360 nan 0.000 0.453 237 E N -0.063 120.134 120.200 -0.005 0.000 2.035 237 E HA -0.291 4.049 4.350 -0.016 0.000 0.204 237 E C 2.289 178.889 176.600 -0.000 0.000 1.025 237 E CA 1.589 57.998 56.400 0.016 0.000 0.835 237 E CB -0.375 29.345 29.700 0.033 0.000 0.764 237 E HN 0.390 nan 8.360 nan 0.000 0.457 238 C N 0.433 119.732 119.300 -0.002 0.000 2.446 238 C HA -0.064 4.387 4.460 -0.016 0.000 0.277 238 C C 2.737 177.694 174.990 -0.055 0.000 1.275 238 C CA 0.486 59.498 59.018 -0.009 0.000 1.727 238 C CB -0.803 26.947 27.740 0.016 0.000 2.010 238 C HN 0.224 nan 8.230 nan 0.000 0.486 239 V N 1.980 121.830 119.914 -0.106 0.000 2.282 239 V HA -0.227 3.883 4.120 -0.016 0.000 0.249 239 V C 3.012 178.941 176.094 -0.275 0.000 1.057 239 V CA 2.448 64.614 62.300 -0.222 0.000 1.032 239 V CB -1.435 30.174 31.823 -0.356 0.000 0.645 239 V HN 0.716 nan 8.190 nan 0.000 0.447 240 A N -0.357 122.333 122.820 -0.217 0.000 1.892 240 A HA -0.300 4.010 4.320 -0.016 0.000 0.218 240 A C 2.106 179.726 177.584 0.059 0.000 1.188 240 A CA 2.243 54.293 52.037 0.022 0.000 0.631 240 A CB -0.524 18.547 19.000 0.119 0.000 0.822 240 A HN 0.686 nan 8.150 nan 0.000 0.447 241 E N -1.680 118.525 120.200 0.008 0.000 2.427 241 E HA -0.041 4.299 4.350 -0.016 0.000 0.196 241 E C 0.450 177.042 176.600 -0.013 0.000 1.028 241 E CA 0.321 56.727 56.400 0.010 0.000 0.864 241 E CB -0.042 29.661 29.700 0.005 0.000 0.813 241 E HN 0.697 nan 8.360 nan 0.000 0.514 242 N N -0.680 117.993 118.700 -0.044 0.000 2.815 242 N HA -0.153 4.578 4.740 -0.016 0.000 0.248 242 N C 0.517 175.971 175.510 -0.093 0.000 1.110 242 N CA 0.719 53.727 53.050 -0.071 0.000 0.699 242 N CB -1.242 37.220 38.487 -0.042 0.000 1.040 242 N HN 0.266 nan 8.380 nan 0.000 0.555 243 G N -0.487 108.265 108.800 -0.079 0.000 2.838 243 G HA2 0.445 4.395 3.960 -0.016 0.000 0.210 243 G HA3 0.445 4.395 3.960 -0.016 0.000 0.210 243 G C 0.788 175.617 174.900 -0.118 0.000 1.153 243 G CA 0.536 45.589 45.100 -0.078 0.000 0.778 243 G HN 1.331 nan 8.290 nan 0.000 0.539 244 G N -1.034 107.683 108.800 -0.138 0.000 3.402 244 G HA2 0.050 4.001 3.960 -0.016 0.000 0.686 244 G HA3 0.050 4.001 3.960 -0.016 0.000 0.686 244 G C -0.702 174.276 174.900 0.130 0.000 0.983 244 G CA -0.389 44.609 45.100 -0.169 0.000 0.821 244 G HN 0.766 nan 8.290 nan 0.000 0.500 245 V N 4.117 124.201 119.914 0.282 0.000 2.459 245 V HA 0.715 4.826 4.120 -0.016 0.000 0.295 245 V C 0.686 176.948 176.094 0.280 0.000 1.029 245 V CA -0.824 61.621 62.300 0.242 0.000 0.874 245 V CB 1.884 33.796 31.823 0.149 0.000 0.985 245 V HN 0.795 nan 8.190 nan 0.000 0.438 246 L N 5.644 126.978 121.223 0.185 0.000 2.319 246 L HA 0.623 4.953 4.340 -0.016 0.000 0.281 246 L C -0.813 176.061 176.870 0.008 0.000 1.005 246 L CA -0.423 54.410 54.840 -0.013 0.000 0.828 246 L CB 1.709 43.791 42.059 0.038 0.000 1.227 246 L HN 0.442 nan 8.230 nan 0.000 0.415 247 V N 4.478 124.329 119.914 -0.104 0.000 2.532 247 V HA 0.435 4.545 4.120 -0.016 0.000 0.295 247 V C -0.590 175.391 176.094 -0.188 0.000 1.041 247 V CA -0.378 61.925 62.300 0.006 0.000 0.926 247 V CB 1.777 33.666 31.823 0.111 0.000 0.992 247 V HN 0.420 nan 8.190 nan 0.000 0.457 248 F N 2.369 122.333 119.950 0.023 0.000 2.449 248 F HA 0.558 5.076 4.527 -0.016 0.000 0.342 248 F C 0.436 176.252 175.800 0.026 0.000 1.127 248 F CA -0.430 57.584 58.000 0.024 0.000 0.975 248 F CB 1.635 40.646 39.000 0.019 0.000 1.146 248 F HN 0.421 nan 8.300 nan 0.000 0.444 249 E N 0.869 121.176 120.200 0.177 0.000 2.277 249 E HA 0.200 4.541 4.350 -0.016 0.000 0.266 249 E C -0.565 176.125 176.600 0.151 0.000 0.901 249 E CA -0.568 55.911 56.400 0.133 0.000 0.782 249 E CB 2.239 31.989 29.700 0.084 0.000 1.228 249 E HN 0.369 nan 8.360 nan 0.000 0.424 250 S N 0.999 116.784 115.700 0.141 0.000 2.677 250 S HA 0.139 4.599 4.470 -0.016 0.000 0.246 250 S C -0.503 174.174 174.600 0.129 0.000 1.005 250 S CA 0.034 58.328 58.200 0.156 0.000 1.062 250 S CB -0.265 63.061 63.200 0.209 0.000 0.778 250 S HN 0.478 nan 8.310 nan 0.000 0.461 251 T N -0.758 113.854 114.554 0.097 0.000 2.792 251 T HA 0.394 4.734 4.350 -0.016 0.000 0.303 251 T C 0.554 175.290 174.700 0.060 0.000 1.310 251 T CA -0.890 61.248 62.100 0.064 0.000 1.007 251 T CB 1.370 70.257 68.868 0.031 0.000 1.335 251 T HN -0.006 nan 8.240 nan 0.000 0.504 252 R N -0.024 120.490 120.500 0.022 0.000 2.075 252 R HA 0.161 4.491 4.340 -0.016 0.000 0.220 252 R C 2.562 178.863 176.300 0.002 0.000 1.118 252 R CA 0.354 56.474 56.100 0.034 0.000 0.986 252 R CB -0.058 30.139 30.300 -0.171 0.000 0.884 252 R HN 0.472 nan 8.270 nan 0.000 0.439 253 R N 0.592 121.070 120.500 -0.037 0.000 2.081 253 R HA -0.102 4.228 4.340 -0.016 0.000 0.235 253 R C 2.076 178.341 176.300 -0.058 0.000 1.131 253 R CA 1.820 57.884 56.100 -0.060 0.000 0.960 253 R CB -0.475 29.798 30.300 -0.045 0.000 0.856 253 R HN 0.280 nan 8.270 nan 0.000 0.436 254 G N -0.017 108.766 108.800 -0.028 0.000 2.418 254 G HA2 -0.243 3.708 3.960 -0.016 0.000 0.217 254 G HA3 -0.243 3.708 3.960 -0.016 0.000 0.217 254 G C 1.531 176.429 174.900 -0.004 0.000 1.158 254 G CA 0.779 45.870 45.100 -0.014 0.000 0.771 254 G HN 0.483 nan 8.290 nan 0.000 0.545 255 A N 0.999 123.819 122.820 -0.001 0.000 1.877 255 A HA -0.011 4.299 4.320 -0.016 0.000 0.216 255 A C 2.171 179.721 177.584 -0.057 0.000 1.186 255 A CA 1.910 53.949 52.037 0.003 0.000 0.620 255 A CB -0.389 18.635 19.000 0.039 0.000 0.822 255 A HN 0.452 nan 8.150 nan 0.000 0.443 256 E N -0.343 119.709 120.200 -0.247 0.000 2.072 256 E HA -0.203 4.138 4.350 -0.016 0.000 0.191 256 E C 2.102 178.636 176.600 -0.109 0.000 0.985 256 E CA 1.251 57.388 56.400 -0.438 0.000 0.801 256 E CB -0.190 29.038 29.700 -0.786 0.000 0.750 256 E HN 0.655 nan 8.360 nan 0.000 0.452 257 K N 0.671 121.024 120.400 -0.078 0.000 2.020 257 K HA -0.196 4.114 4.320 -0.016 0.000 0.212 257 K C 2.095 178.705 176.600 0.017 0.000 1.050 257 K CA 1.988 58.263 56.287 -0.021 0.000 0.929 257 K CB -0.145 32.345 32.500 -0.017 0.000 0.714 257 K HN 0.028 nan 8.250 nan 0.000 0.443 258 T N 0.605 115.179 114.554 0.034 0.000 2.812 258 T HA -0.028 4.312 4.350 -0.016 0.000 0.264 258 T C 1.821 176.555 174.700 0.056 0.000 1.042 258 T CA 1.108 63.244 62.100 0.060 0.000 1.140 258 T CB -0.267 68.668 68.868 0.112 0.000 0.870 258 T HN 0.442 nan 8.240 nan 0.000 0.445 259 A N 0.751 123.622 122.820 0.084 0.000 2.084 259 A HA -0.057 4.254 4.320 -0.016 0.000 0.221 259 A C 2.448 180.091 177.584 0.099 0.000 1.161 259 A CA 1.176 53.283 52.037 0.117 0.000 0.653 259 A CB -0.843 18.326 19.000 0.282 0.000 0.802 259 A HN 0.372 nan 8.150 nan 0.000 0.457 260 V N -0.499 119.468 119.914 0.088 0.000 2.283 260 V HA -0.190 3.920 4.120 -0.016 0.000 0.239 260 V C 2.340 178.449 176.094 0.026 0.000 1.035 260 V CA 2.095 64.433 62.300 0.064 0.000 1.018 260 V CB -0.592 31.266 31.823 0.059 0.000 0.658 260 V HN 0.554 nan 8.190 nan 0.000 0.459 261 K N 0.093 120.499 120.400 0.010 0.000 2.052 261 K HA -0.259 4.051 4.320 -0.016 0.000 0.215 261 K C 2.005 178.582 176.600 -0.037 0.000 1.053 261 K CA 1.995 58.272 56.287 -0.017 0.000 0.934 261 K CB -0.553 31.927 32.500 -0.033 0.000 0.717 261 K HN 0.315 nan 8.250 nan 0.000 0.450 262 L N 1.211 122.403 121.223 -0.052 0.000 2.127 262 L HA -0.220 4.110 4.340 -0.016 0.000 0.211 262 L C 2.591 179.443 176.870 -0.030 0.000 1.089 262 L CA 1.442 56.240 54.840 -0.070 0.000 0.757 262 L CB -0.819 41.198 42.059 -0.071 0.000 0.899 262 L HN 0.337 nan 8.230 nan 0.000 0.434 263 S N 0.140 115.837 115.700 -0.005 0.000 2.419 263 S HA -0.222 4.238 4.470 -0.016 0.000 0.235 263 S C 2.171 176.782 174.600 0.019 0.000 1.019 263 S CA 0.893 59.099 58.200 0.009 0.000 0.982 263 S CB -0.504 62.707 63.200 0.018 0.000 0.789 263 S HN 0.399 nan 8.310 nan 0.000 0.490 264 A N 2.443 125.270 122.820 0.012 0.000 1.873 264 A HA -0.026 4.284 4.320 -0.016 0.000 0.218 264 A C 2.230 179.841 177.584 0.045 0.000 1.193 264 A CA 1.749 53.799 52.037 0.021 0.000 0.629 264 A CB -0.881 18.123 19.000 0.007 0.000 0.826 264 A HN 0.600 nan 8.150 nan 0.000 0.447 265 I N -0.018 120.572 120.570 0.034 0.000 2.133 265 I HA -0.220 3.940 4.170 -0.016 0.000 0.238 265 I C 2.778 178.973 176.117 0.130 0.000 1.074 265 I CA 1.871 63.217 61.300 0.077 0.000 1.342 265 I CB -1.111 36.882 38.000 -0.012 0.000 1.053 265 I HN 0.495 nan 8.210 nan 0.000 0.404 266 T N -0.110 114.457 114.554 0.021 0.000 2.946 266 T HA -0.128 4.213 4.350 -0.016 0.000 0.271 266 T C 1.860 176.636 174.700 0.126 0.000 1.104 266 T CA 1.008 63.119 62.100 0.018 0.000 1.114 266 T CB -0.518 68.344 68.868 -0.010 0.000 0.867 266 T HN 0.400 nan 8.240 nan 0.000 0.513 267 A N 3.468 126.357 122.820 0.115 0.000 1.855 267 A HA -0.080 4.231 4.320 -0.016 0.000 0.215 267 A C 2.304 179.958 177.584 0.116 0.000 1.191 267 A CA 1.594 53.688 52.037 0.094 0.000 0.613 267 A CB -0.603 18.431 19.000 0.058 0.000 0.829 267 A HN 0.751 nan 8.150 nan 0.000 0.442 268 K N -1.803 118.680 120.400 0.137 0.000 2.585 268 K HA -0.111 4.199 4.320 -0.016 0.000 0.194 268 K C 1.009 177.575 176.600 -0.056 0.000 1.037 268 K CA 1.400 57.704 56.287 0.029 0.000 0.964 268 K CB -0.336 32.145 32.500 -0.032 0.000 0.787 268 K HN 0.573 nan 8.250 nan 0.000 0.488 269 Y N 0.667 120.964 120.300 -0.004 0.000 2.539 269 Y HA 0.187 4.736 4.550 -0.001 0.000 0.284 269 Y C 0.849 176.746 175.900 -0.005 0.000 1.134 269 Y CA -0.345 57.753 58.100 -0.004 0.000 1.251 269 Y CB 0.975 39.433 38.460 -0.003 0.000 1.260 269 Y HN -0.194 nan 8.280 nan 0.000 0.528 270 V N 0.121 120.132 119.914 0.162 0.000 3.007 270 V HA 0.348 4.459 4.120 -0.016 0.000 0.311 270 V C -0.736 175.391 176.094 0.056 0.000 1.120 270 V CA -1.307 61.044 62.300 0.084 0.000 0.980 270 V CB 2.655 34.520 31.823 0.071 0.000 1.033 270 V HN 0.007 nan 8.190 nan 0.000 0.429 271 E N 2.765 122.985 120.200 0.033 0.000 2.795 271 E HA 0.254 4.594 4.350 -0.016 0.000 0.226 271 E C -1.056 175.553 176.600 0.015 0.000 1.088 271 E CA -0.419 55.994 56.400 0.023 0.000 0.812 271 E CB 0.687 30.396 29.700 0.015 0.000 1.328 271 E HN 0.681 nan 8.360 nan 0.000 0.410 272 N N 3.201 121.909 118.700 0.015 0.000 2.448 272 N HA -0.007 4.724 4.740 -0.016 0.000 0.250 272 N C 0.586 176.098 175.510 0.004 0.000 1.136 272 N CA 0.183 53.238 53.050 0.008 0.000 0.953 272 N CB 1.180 39.672 38.487 0.007 0.000 1.251 272 N HN 0.605 nan 8.380 nan 0.000 0.502 273 E N 1.824 122.026 120.200 0.004 0.000 2.251 273 E HA 0.021 4.362 4.350 -0.016 0.000 0.194 273 E C 1.594 178.195 176.600 0.001 0.000 0.964 273 E CA 0.136 56.538 56.400 0.002 0.000 0.868 273 E CB 0.173 29.875 29.700 0.003 0.000 0.828 273 E HN 0.630 nan 8.360 nan 0.000 0.481 274 G N 1.202 110.003 108.800 0.001 0.000 2.448 274 G HA2 -0.152 3.798 3.960 -0.016 0.000 0.218 274 G HA3 -0.152 3.798 3.960 -0.016 0.000 0.218 274 G C 1.507 176.406 174.900 -0.001 0.000 1.135 274 G CA 0.188 45.289 45.100 0.001 0.000 0.784 274 G HN 0.157 nan 8.290 nan 0.000 0.543 275 L N -0.010 121.211 121.223 -0.003 0.000 2.341 275 L HA 0.105 4.435 4.340 -0.016 0.000 0.214 275 L C 2.579 179.441 176.870 -0.013 0.000 1.115 275 L CA 0.767 55.603 54.840 -0.007 0.000 0.820 275 L CB -0.173 41.882 42.059 -0.007 0.000 0.944 275 L HN 0.329 nan 8.230 nan 0.000 0.452 276 E N 1.039 121.232 120.200 -0.011 0.000 2.153 276 E HA -0.274 4.066 4.350 -0.016 0.000 0.194 276 E C 2.184 178.779 176.600 -0.009 0.000 0.988 276 E CA 1.144 57.536 56.400 -0.014 0.000 0.811 276 E CB 0.169 29.865 29.700 -0.007 0.000 0.746 276 E HN 0.303 nan 8.360 nan 0.000 0.466 277 K N -0.171 120.227 120.400 -0.004 0.000 2.167 277 K HA -0.002 4.308 4.320 -0.016 0.000 0.203 277 K C 1.954 178.553 176.600 -0.000 0.000 1.052 277 K CA 0.763 57.050 56.287 0.000 0.000 0.956 277 K CB -0.027 32.475 32.500 0.003 0.000 0.735 277 K HN 0.140 nan 8.250 nan 0.000 0.451 278 A N 1.388 124.205 122.820 -0.004 0.000 2.019 278 A HA -0.106 4.204 4.320 -0.016 0.000 0.219 278 A C 1.970 179.549 177.584 -0.009 0.000 1.164 278 A CA 1.034 53.068 52.037 -0.004 0.000 0.644 278 A CB -0.357 18.639 19.000 -0.006 0.000 0.805 278 A HN 0.303 nan 8.150 nan 0.000 0.449 279 I N -1.184 119.375 120.570 -0.017 0.000 2.141 279 I HA -0.167 3.994 4.170 -0.016 0.000 0.236 279 I C 1.960 178.073 176.117 -0.008 0.000 1.071 279 I CA 0.859 62.144 61.300 -0.025 0.000 1.345 279 I CB -0.231 37.740 38.000 -0.047 0.000 1.066 279 I HN 0.210 nan 8.210 nan 0.000 0.406 280 L N 0.983 122.206 121.223 -0.001 0.000 2.447 280 L HA -0.200 4.130 4.340 -0.016 0.000 0.225 280 L C 2.224 179.104 176.870 0.017 0.000 1.148 280 L CA 1.341 56.188 54.840 0.011 0.000 0.808 280 L CB -1.021 41.045 42.059 0.012 0.000 0.928 280 L HN 0.295 nan 8.230 nan 0.000 0.448 281 E N -0.420 119.789 120.200 0.014 0.000 2.394 281 E HA -0.282 4.058 4.350 -0.016 0.000 0.202 281 E C 1.794 178.411 176.600 0.029 0.000 1.029 281 E CA 1.487 57.899 56.400 0.019 0.000 0.855 281 E CB 0.245 29.954 29.700 0.016 0.000 0.770 281 E HN 0.683 nan 8.360 nan 0.000 0.527 282 E N -1.166 119.053 120.200 0.031 0.000 2.502 282 E HA 0.095 4.435 4.350 -0.016 0.000 0.206 282 E C -0.083 176.547 176.600 0.050 0.000 0.821 282 E CA -0.066 56.360 56.400 0.044 0.000 1.354 282 E CB 0.487 30.211 29.700 0.040 0.000 1.336 282 E HN 0.039 nan 8.360 nan 0.000 0.675 283 N N -0.391 118.334 118.700 0.042 0.000 2.697 283 N HA 0.304 5.034 4.740 -0.016 0.000 0.272 283 N C -1.384 174.152 175.510 0.042 0.000 1.381 283 N CA -0.462 52.618 53.050 0.049 0.000 0.797 283 N CB 1.779 40.298 38.487 0.053 0.000 1.523 283 N HN -0.037 nan 8.380 nan 0.000 0.518 284 E N -0.583 119.645 120.200 0.046 0.000 2.421 284 E HA 0.561 4.902 4.350 -0.016 0.000 0.265 284 E C -0.959 175.670 176.600 0.048 0.000 0.990 284 E CA -0.833 55.593 56.400 0.042 0.000 0.874 284 E CB 1.461 31.182 29.700 0.035 0.000 1.646 284 E HN 0.855 nan 8.360 nan 0.000 0.451 285 G N 1.082 109.909 108.800 0.044 0.000 2.785 285 G HA2 -0.300 3.651 3.960 -0.016 0.000 0.685 285 G HA3 -0.300 3.651 3.960 -0.016 0.000 0.685 285 G C 0.466 175.401 174.900 0.057 0.000 1.480 285 G CA 0.661 45.789 45.100 0.046 0.000 0.915 285 G HN 0.804 nan 8.290 nan 0.000 0.576 286 E N -0.815 119.417 120.200 0.053 0.000 2.984 286 E HA -0.436 3.905 4.350 -0.016 0.000 0.204 286 E C 2.264 178.914 176.600 0.084 0.000 0.887 286 E CA 2.901 59.336 56.400 0.058 0.000 1.571 286 E CB -0.332 29.397 29.700 0.049 0.000 1.568 286 E HN 0.718 nan 8.360 nan 0.000 0.437 287 M N -0.019 119.641 119.600 0.100 0.000 2.139 287 M HA -0.158 4.313 4.480 -0.016 0.000 0.260 287 M C 2.339 178.758 176.300 0.197 0.000 1.078 287 M CA 2.498 57.895 55.300 0.163 0.000 1.106 287 M CB -0.367 32.336 32.600 0.173 0.000 1.275 287 M HN 0.185 nan 8.290 nan 0.000 0.425 288 S N 0.332 116.115 115.700 0.138 0.000 2.423 288 S HA -0.223 4.237 4.470 -0.016 0.000 0.238 288 S C 1.680 176.320 174.600 0.067 0.000 1.028 288 S CA 1.693 59.946 58.200 0.088 0.000 1.000 288 S CB -0.589 62.646 63.200 0.059 0.000 0.797 288 S HN 0.395 nan 8.310 nan 0.000 0.487 289 R N 1.724 122.271 120.500 0.079 0.000 2.096 289 R HA -0.052 4.278 4.340 -0.016 0.000 0.229 289 R C 2.218 178.561 176.300 0.073 0.000 1.134 289 R CA 1.893 58.031 56.100 0.062 0.000 0.917 289 R CB -0.497 29.840 30.300 0.061 0.000 0.832 289 R HN 0.290 nan 8.270 nan 0.000 0.430 290 K N 0.023 120.498 120.400 0.124 0.000 2.000 290 K HA -0.213 4.098 4.320 -0.016 0.000 0.218 290 K C 2.118 178.799 176.600 0.135 0.000 1.053 290 K CA 2.111 58.504 56.287 0.177 0.000 0.946 290 K CB -0.506 32.164 32.500 0.285 0.000 0.723 290 K HN 0.245 nan 8.250 nan 0.000 0.446 291 L N 0.277 121.546 121.223 0.077 0.000 2.013 291 L HA -0.266 4.064 4.340 -0.016 0.000 0.212 291 L C 2.403 179.154 176.870 -0.199 0.000 1.073 291 L CA 1.597 56.212 54.840 -0.374 0.000 0.753 291 L CB -0.562 41.153 42.059 -0.573 0.000 0.890 291 L HN 0.392 nan 8.230 nan 0.000 0.432 292 A N 0.974 123.742 122.820 -0.086 0.000 1.852 292 A HA -0.322 3.989 4.320 -0.016 0.000 0.217 292 A C 1.938 179.498 177.584 -0.041 0.000 1.215 292 A CA 2.351 54.355 52.037 -0.055 0.000 0.641 292 A CB -0.879 18.111 19.000 -0.017 0.000 0.838 292 A HN 0.695 nan 8.150 nan 0.000 0.450 293 E N -0.920 119.272 120.200 -0.014 0.000 2.150 293 E HA -0.146 4.195 4.350 -0.016 0.000 0.193 293 E C 1.784 178.378 176.600 -0.009 0.000 0.985 293 E CA 1.315 57.713 56.400 -0.003 0.000 0.814 293 E CB -1.139 28.569 29.700 0.013 0.000 0.752 293 E HN 0.430 nan 8.360 nan 0.000 0.466 294 C N 0.026 119.315 119.300 -0.018 0.000 2.413 294 C HA -0.101 4.350 4.460 -0.016 0.000 0.276 294 C C 2.645 177.608 174.990 -0.045 0.000 1.236 294 C CA 1.085 60.090 59.018 -0.023 0.000 1.735 294 C CB -0.812 26.902 27.740 -0.043 0.000 2.031 294 C HN 0.460 nan 8.230 nan 0.000 0.474 295 V N 0.945 120.812 119.914 -0.079 0.000 2.427 295 V HA -0.164 3.946 4.120 -0.016 0.000 0.248 295 V C 2.731 178.810 176.094 -0.025 0.000 1.051 295 V CA 1.808 64.070 62.300 -0.063 0.000 1.048 295 V CB -0.820 30.952 31.823 -0.085 0.000 0.666 295 V HN 0.489 nan 8.190 nan 0.000 0.456 296 R N 1.180 121.668 120.500 -0.019 0.000 2.159 296 R HA -0.143 4.188 4.340 -0.016 0.000 0.237 296 R C 1.070 177.374 176.300 0.007 0.000 1.131 296 R CA 1.274 57.372 56.100 -0.004 0.000 0.982 296 R CB -0.051 30.248 30.300 -0.001 0.000 0.868 296 R HN 0.479 nan 8.270 nan 0.000 0.453 297 K N -0.500 119.905 120.400 0.008 0.000 2.965 297 K HA 0.194 4.504 4.320 -0.016 0.000 0.216 297 K C 0.684 177.300 176.600 0.027 0.000 1.164 297 K CA 0.346 56.647 56.287 0.023 0.000 1.153 297 K CB 0.921 33.435 32.500 0.023 0.000 1.045 297 K HN 0.315 nan 8.250 nan 0.000 0.460 298 G N 1.607 110.421 108.800 0.024 0.000 3.078 298 G HA2 -0.449 3.501 3.960 -0.016 0.000 0.227 298 G HA3 -0.449 3.501 3.960 -0.016 0.000 0.227 298 G C 0.709 175.624 174.900 0.024 0.000 1.306 298 G CA 0.191 45.309 45.100 0.030 0.000 0.841 298 G HN 0.593 nan 8.290 nan 0.000 0.530 299 A N 0.199 123.022 122.820 0.006 0.000 2.275 299 A HA 0.846 5.156 4.320 -0.016 0.000 0.276 299 A C 0.867 178.416 177.584 -0.058 0.000 1.232 299 A CA 2.300 54.330 52.037 -0.012 0.000 0.814 299 A CB 0.009 19.004 19.000 -0.007 0.000 1.145 299 A HN 2.734 nan 8.150 nan 0.000 0.508 300 A N -2.674 120.090 122.820 -0.093 0.000 2.567 300 A HA 0.499 4.810 4.320 -0.016 0.000 0.301 300 A C -0.943 176.540 177.584 -0.170 0.000 0.940 300 A CA -0.169 51.736 52.037 -0.221 0.000 0.637 300 A CB -0.364 18.500 19.000 -0.227 0.000 1.332 300 A HN 2.124 nan 8.150 nan 0.000 0.427 301 F N -0.498 119.367 119.950 -0.142 0.000 2.551 301 F HA 0.866 5.383 4.527 -0.016 0.000 0.316 301 F C -0.536 175.139 175.800 -0.210 0.000 1.089 301 F CA -0.759 57.127 58.000 -0.190 0.000 0.915 301 F CB 1.475 40.342 39.000 -0.222 0.000 1.186 301 F HN 0.812 nan 8.300 nan 0.000 0.456 302 H N 3.470 122.506 119.070 -0.056 0.000 2.860 302 H HA 0.478 5.024 4.556 -0.016 0.000 0.312 302 H C -1.023 174.325 175.328 0.033 0.000 0.995 302 H CA -0.351 55.649 56.048 -0.079 0.000 1.311 302 H CB 0.584 30.265 29.762 -0.135 0.000 1.478 302 H HN 0.919 nan 8.280 nan 0.000 0.508 303 H N 1.263 120.358 119.070 0.042 0.000 2.966 303 H HA 0.512 5.059 4.556 -0.015 0.000 0.330 303 H C 0.038 175.346 175.328 -0.034 0.000 1.292 303 H CA -0.732 55.346 56.048 0.049 0.000 1.127 303 H CB 1.383 31.186 29.762 0.069 0.000 1.863 303 H HN 0.483 nan 8.280 nan 0.000 0.543 304 A N 0.382 123.299 122.820 0.161 0.000 2.186 304 A HA -0.064 4.246 4.320 -0.016 0.000 0.219 304 A C 2.144 179.745 177.584 0.028 0.000 1.159 304 A CA 1.596 53.659 52.037 0.044 0.000 0.680 304 A CB -1.320 17.679 19.000 -0.002 0.000 0.787 304 A HN 0.829 nan 8.150 nan 0.000 0.467 305 G N -0.052 108.783 108.800 0.060 0.000 2.403 305 G HA2 0.080 4.031 3.960 -0.016 0.000 0.216 305 G HA3 0.080 4.031 3.960 -0.016 0.000 0.216 305 G C 0.865 175.870 174.900 0.174 0.000 1.154 305 G CA 0.505 45.637 45.100 0.053 0.000 0.784 305 G HN 0.479 nan 8.290 nan 0.000 0.538 306 L N -0.134 121.238 121.223 0.249 0.000 2.461 306 L HA 0.291 4.621 4.340 -0.016 0.000 0.259 306 L C 0.200 177.081 176.870 0.018 0.000 1.248 306 L CA -0.825 54.070 54.840 0.091 0.000 0.823 306 L CB -0.005 42.039 42.059 -0.025 0.000 1.111 306 L HN -0.029 nan 8.230 nan 0.000 0.516 307 L N 0.336 121.555 121.223 -0.007 0.000 2.375 307 L HA 0.248 4.579 4.340 -0.016 0.000 0.268 307 L C 1.121 177.969 176.870 -0.036 0.000 1.058 307 L CA 0.180 55.009 54.840 -0.018 0.000 0.803 307 L CB 0.773 42.829 42.059 -0.006 0.000 1.212 307 L HN 0.378 nan 8.230 nan 0.000 0.451 308 N N 0.528 119.208 118.700 -0.033 0.000 2.417 308 N HA -0.164 4.567 4.740 -0.016 0.000 0.187 308 N C 1.544 177.041 175.510 -0.022 0.000 1.027 308 N CA 1.229 54.261 53.050 -0.029 0.000 0.891 308 N CB -0.018 38.454 38.487 -0.026 0.000 0.956 308 N HN 0.876 nan 8.380 nan 0.000 0.442 309 G N 0.691 109.479 108.800 -0.020 0.000 2.499 309 G HA2 -0.220 3.731 3.960 -0.016 0.000 0.213 309 G HA3 -0.220 3.731 3.960 -0.016 0.000 0.213 309 G C 1.233 176.120 174.900 -0.022 0.000 1.230 309 G CA 0.220 45.313 45.100 -0.013 0.000 0.813 309 G HN 0.252 nan 8.290 nan 0.000 0.542 310 Q N -0.016 119.764 119.800 -0.033 0.000 2.217 310 Q HA -0.148 4.182 4.340 -0.016 0.000 0.209 310 Q C 2.703 178.657 176.000 -0.077 0.000 0.988 310 Q CA 1.170 56.938 55.803 -0.058 0.000 0.878 310 Q CB -0.151 28.546 28.738 -0.068 0.000 0.909 310 Q HN 0.396 nan 8.270 nan 0.000 0.424 311 R N 0.558 121.008 120.500 -0.084 0.000 2.064 311 R HA -0.112 4.219 4.340 -0.016 0.000 0.228 311 R C 2.374 178.696 176.300 0.037 0.000 1.144 311 R CA 1.666 57.714 56.100 -0.087 0.000 0.932 311 R CB -0.294 29.925 30.300 -0.135 0.000 0.833 311 R HN 0.286 nan 8.270 nan 0.000 0.429 312 R N 0.352 120.872 120.500 0.034 0.000 2.261 312 R HA -0.079 4.251 4.340 -0.016 0.000 0.236 312 R C 1.743 178.063 176.300 0.033 0.000 1.141 312 R CA 1.329 57.456 56.100 0.045 0.000 1.001 312 R CB -0.508 29.809 30.300 0.028 0.000 0.866 312 R HN 0.076 nan 8.270 nan 0.000 0.468 313 V N 0.754 120.676 119.914 0.013 0.000 2.535 313 V HA -0.118 3.993 4.120 -0.016 0.000 0.246 313 V C 2.256 178.357 176.094 0.012 0.000 1.045 313 V CA 1.143 63.446 62.300 0.006 0.000 1.058 313 V CB 0.341 32.156 31.823 -0.013 0.000 0.689 313 V HN 0.199 nan 8.190 nan 0.000 0.461 314 V N -0.085 119.834 119.914 0.008 0.000 2.548 314 V HA -0.172 3.939 4.120 -0.016 0.000 0.249 314 V C 2.266 178.401 176.094 0.069 0.000 1.055 314 V CA 1.609 63.916 62.300 0.012 0.000 1.065 314 V CB -0.535 31.272 31.823 -0.026 0.000 0.681 314 V HN 0.618 nan 8.190 nan 0.000 0.462 315 E N 0.362 120.615 120.200 0.089 0.000 2.016 315 E HA -0.215 4.125 4.350 -0.016 0.000 0.190 315 E C 1.953 178.615 176.600 0.104 0.000 0.985 315 E CA 1.567 58.025 56.400 0.096 0.000 0.802 315 E CB -0.248 29.506 29.700 0.090 0.000 0.762 315 E HN 0.552 nan 8.360 nan 0.000 0.448 316 D N 0.645 121.086 120.400 0.069 0.000 2.158 316 D HA -0.169 4.462 4.640 -0.016 0.000 0.197 316 D C 1.797 178.127 176.300 0.051 0.000 0.995 316 D CA 1.487 55.516 54.000 0.049 0.000 0.846 316 D CB -0.165 40.654 40.800 0.030 0.000 0.941 316 D HN 0.213 nan 8.370 nan 0.000 0.456 317 A N -0.292 122.566 122.820 0.063 0.000 1.898 317 A HA -0.106 4.205 4.320 -0.016 0.000 0.216 317 A C 2.043 179.687 177.584 0.099 0.000 1.181 317 A CA 0.746 52.820 52.037 0.061 0.000 0.620 317 A CB -0.959 18.072 19.000 0.051 0.000 0.819 317 A HN 0.327 nan 8.150 nan 0.000 0.442 318 F N 0.324 120.256 119.950 -0.030 0.000 2.293 318 F HA -0.110 4.407 4.527 -0.017 0.000 0.300 318 F C 2.414 178.197 175.800 -0.028 0.000 1.086 318 F CA 1.257 59.236 58.000 -0.035 0.000 1.375 318 F CB 0.016 38.988 39.000 -0.047 0.000 1.045 318 F HN 0.113 nan 8.300 nan 0.000 0.516 319 R N 0.021 120.537 120.500 0.025 0.000 2.066 319 R HA -0.080 4.251 4.340 -0.016 0.000 0.232 319 R C 2.194 178.432 176.300 -0.103 0.000 1.131 319 R CA 1.557 57.622 56.100 -0.058 0.000 0.955 319 R CB -0.305 29.998 30.300 0.006 0.000 0.851 319 R HN 0.240 nan 8.270 nan 0.000 0.432 320 R N -0.849 119.615 120.500 -0.060 0.000 2.189 320 R HA 0.017 4.348 4.340 -0.016 0.000 0.218 320 R C 1.273 177.523 176.300 -0.083 0.000 1.074 320 R CA 0.864 56.929 56.100 -0.058 0.000 0.991 320 R CB 0.239 30.523 30.300 -0.027 0.000 0.883 320 R HN 0.514 nan 8.270 nan 0.000 0.457 321 G N 0.350 109.077 108.800 -0.121 0.000 2.238 321 G HA2 -0.301 3.650 3.960 -0.016 0.000 0.217 321 G HA3 -0.301 3.650 3.960 -0.016 0.000 0.217 321 G C 0.565 175.429 174.900 -0.060 0.000 0.996 321 G CA 0.236 45.256 45.100 -0.133 0.000 0.632 321 G HN 0.419 nan 8.290 nan 0.000 0.503 322 N N 0.112 118.798 118.700 -0.024 0.000 2.091 322 N HA -0.054 4.676 4.740 -0.016 0.000 0.193 322 N C 0.790 176.315 175.510 0.026 0.000 1.021 322 N CA 1.165 54.218 53.050 0.005 0.000 0.862 322 N CB 0.016 38.509 38.487 0.010 0.000 1.018 322 N HN 0.499 nan 8.380 nan 0.000 0.429 323 I N 1.106 121.710 120.570 0.057 0.000 2.336 323 I HA 0.112 4.272 4.170 -0.016 0.000 0.292 323 I C 0.625 176.847 176.117 0.175 0.000 0.991 323 I CA -0.482 60.899 61.300 0.136 0.000 1.227 323 I CB 1.721 39.850 38.000 0.215 0.000 1.366 323 I HN -0.040 nan 8.210 nan 0.000 0.466 324 K N 4.595 125.075 120.400 0.134 0.000 2.284 324 K HA 0.253 4.563 4.320 -0.016 0.000 0.198 324 K C -0.003 176.783 176.600 0.310 0.000 1.048 324 K CA 0.678 57.023 56.287 0.096 0.000 0.987 324 K CB 0.410 32.889 32.500 -0.035 0.000 0.800 324 K HN 0.361 nan 8.250 nan 0.000 0.486 325 V N 1.098 121.176 119.914 0.273 0.000 2.760 325 V HA 0.356 4.467 4.120 -0.016 0.000 0.309 325 V C -0.900 175.115 176.094 -0.132 0.000 1.077 325 V CA -1.017 61.373 62.300 0.151 0.000 0.910 325 V CB 2.671 34.516 31.823 0.038 0.000 1.008 325 V HN -0.285 nan 8.190 nan 0.000 0.424 326 V N 4.472 124.116 119.914 -0.450 0.000 2.447 326 V HA 0.395 4.506 4.120 -0.016 0.000 0.292 326 V C -0.398 175.469 176.094 -0.378 0.000 1.021 326 V CA -0.574 61.400 62.300 -0.543 0.000 0.850 326 V CB 1.953 33.159 31.823 -1.029 0.000 1.005 326 V HN 0.621 nan 8.190 nan 0.000 0.426 327 V N 5.040 124.837 119.914 -0.196 0.000 2.334 327 V HA 0.774 4.884 4.120 -0.016 0.000 0.267 327 V C 0.622 176.636 176.094 -0.134 0.000 1.040 327 V CA 0.062 62.278 62.300 -0.140 0.000 0.866 327 V CB 0.904 32.724 31.823 -0.004 0.000 1.019 327 V HN 0.971 nan 8.190 nan 0.000 0.468 328 A N 4.410 127.048 122.820 -0.304 0.000 2.468 328 A HA 1.014 5.325 4.320 -0.016 0.000 0.270 328 A C 0.236 177.771 177.584 -0.082 0.000 1.217 328 A CA -0.169 51.750 52.037 -0.196 0.000 0.908 328 A CB 1.749 20.543 19.000 -0.343 0.000 1.423 328 A HN 0.769 nan 8.150 nan 0.000 0.459 329 T N -3.500 111.108 114.554 0.091 0.000 2.926 329 T HA 0.591 4.931 4.350 -0.016 0.000 0.289 329 T C -2.481 172.410 174.700 0.319 0.000 1.054 329 T CA -1.665 60.560 62.100 0.209 0.000 1.015 329 T CB 1.322 70.299 68.868 0.181 0.000 1.167 329 T HN 0.183 nan 8.240 nan 0.000 0.526 330 P HA -0.079 nan 4.420 nan 0.000 0.219 330 P C 1.352 178.766 177.300 0.190 0.000 1.144 330 P CA 1.117 64.355 63.100 0.230 0.000 0.806 330 P CB -0.347 31.437 31.700 0.140 0.000 0.771 331 T N -0.832 113.830 114.554 0.180 0.000 2.897 331 T HA -0.122 4.218 4.350 -0.016 0.000 0.271 331 T C 0.944 175.744 174.700 0.167 0.000 1.084 331 T CA 0.487 62.678 62.100 0.151 0.000 1.123 331 T CB -0.562 68.394 68.868 0.146 0.000 0.865 331 T HN 0.007 nan 8.240 nan 0.000 0.496 337 N N 4.212 122.934 118.700 0.036 0.000 2.401 337 N HA 0.560 5.291 4.740 -0.016 0.000 0.255 337 N C -0.880 174.662 175.510 0.052 0.000 1.110 337 N CA -0.016 53.060 53.050 0.044 0.000 0.949 337 N CB 0.508 39.020 38.487 0.042 0.000 1.110 337 N HN 0.668 nan 8.380 nan 0.000 0.490 338 L N 5.828 127.094 121.223 0.072 0.000 2.417 338 L HA 0.428 4.758 4.340 -0.016 0.000 0.259 338 L C -2.119 174.861 176.870 0.184 0.000 1.023 338 L CA -1.743 53.181 54.840 0.140 0.000 0.901 338 L CB 1.639 43.734 42.059 0.061 0.000 1.227 338 L HN 0.429 nan 8.230 nan 0.000 0.454 339 P HA 0.338 nan 4.420 nan 0.000 0.276 339 P C -0.899 176.443 177.300 0.070 0.000 1.243 339 P CA -0.020 63.123 63.100 0.072 0.000 0.768 339 P CB 1.888 33.592 31.700 0.007 0.000 0.856 340 A N 3.203 126.073 122.820 0.083 0.000 2.566 340 A HA 0.385 4.696 4.320 -0.016 0.000 0.297 340 A C 0.934 178.552 177.584 0.056 0.000 1.059 340 A CA -0.768 51.317 52.037 0.081 0.000 0.691 340 A CB 1.385 20.560 19.000 0.291 0.000 1.282 340 A HN 0.518 nan 8.150 nan 0.000 0.401 341 R N 0.486 121.001 120.500 0.024 0.000 2.070 341 R HA 0.031 4.362 4.340 -0.016 0.000 0.227 341 R C 0.734 177.067 176.300 0.056 0.000 1.147 341 R CA 1.313 57.428 56.100 0.025 0.000 0.924 341 R CB -0.083 30.222 30.300 0.008 0.000 0.827 341 R HN 0.686 nan 8.270 nan 0.000 0.431 342 R N -0.281 120.265 120.500 0.076 0.000 2.500 342 R HA 0.335 4.665 4.340 -0.016 0.000 0.275 342 R C -1.423 174.959 176.300 0.137 0.000 1.051 342 R CA -0.196 55.963 56.100 0.098 0.000 1.088 342 R CB 1.895 32.255 30.300 0.099 0.000 1.063 342 R HN 0.097 nan 8.270 nan 0.000 0.511 343 V N 5.599 125.597 119.914 0.140 0.000 2.555 343 V HA 0.288 4.398 4.120 -0.016 0.000 0.283 343 V C -0.635 175.565 176.094 0.176 0.000 1.020 343 V CA -0.692 61.718 62.300 0.184 0.000 0.883 343 V CB 1.370 33.297 31.823 0.175 0.000 1.030 343 V HN 0.636 nan 8.190 nan 0.000 0.448 344 I N 4.337 125.020 120.570 0.188 0.000 2.499 344 I HA 0.464 4.625 4.170 -0.016 0.000 0.296 344 I C -0.077 176.135 176.117 0.158 0.000 0.992 344 I CA -0.428 60.945 61.300 0.122 0.000 1.297 344 I CB 2.054 40.102 38.000 0.080 0.000 1.410 344 I HN 0.226 nan 8.210 nan 0.000 0.507 345 V N 7.163 127.115 119.914 0.063 0.000 2.340 345 V HA 0.304 4.415 4.120 -0.016 0.000 0.277 345 V C 1.197 177.266 176.094 -0.042 0.000 1.017 345 V CA -0.677 61.666 62.300 0.072 0.000 0.820 345 V CB 1.324 33.168 31.823 0.036 0.000 1.028 345 V HN 0.702 nan 8.190 nan 0.000 0.436 346 R N 2.059 122.533 120.500 -0.043 0.000 2.103 346 R HA -0.087 4.243 4.340 -0.016 0.000 0.234 346 R C 1.203 177.469 176.300 -0.057 0.000 1.132 346 R CA 1.838 57.869 56.100 -0.114 0.000 0.925 346 R CB -0.182 30.084 30.300 -0.057 0.000 0.842 346 R HN 0.764 nan 8.270 nan 0.000 0.430 347 S N -1.379 114.328 115.700 0.012 0.000 2.739 347 S HA 0.409 4.869 4.470 -0.016 0.000 0.306 347 S C 0.928 175.507 174.600 -0.034 0.000 1.115 347 S CA -0.920 57.318 58.200 0.064 0.000 0.985 347 S CB 1.797 65.113 63.200 0.194 0.000 1.133 347 S HN 0.211 nan 8.310 nan 0.000 0.541 348 L N -0.709 120.454 121.223 -0.100 0.000 2.781 348 L HA 0.383 4.714 4.340 -0.016 0.000 0.245 348 L C -0.858 175.734 176.870 -0.463 0.000 1.118 348 L CA -0.079 54.490 54.840 -0.451 0.000 0.918 348 L CB 0.230 41.842 42.059 -0.744 0.000 1.246 348 L HN 0.662 nan 8.230 nan 0.000 0.526 349 Y N -0.769 119.538 120.300 0.010 0.000 2.488 349 Y HA 0.392 4.933 4.550 -0.016 0.000 0.325 349 Y C 0.527 176.453 175.900 0.044 0.000 1.204 349 Y CA -0.959 57.129 58.100 -0.020 0.000 1.229 349 Y CB 0.694 39.080 38.460 -0.123 0.000 1.274 349 Y HN -0.189 nan 8.280 nan 0.000 0.493 350 R N 2.161 122.728 120.500 0.113 0.000 2.790 350 R HA 0.345 4.675 4.340 -0.016 0.000 0.274 350 R C -1.237 175.110 176.300 0.079 0.000 1.334 350 R CA -0.358 55.815 56.100 0.121 0.000 1.543 350 R CB -0.380 29.964 30.300 0.073 0.000 1.154 350 R HN 0.556 nan 8.270 nan 0.000 0.601 357 R N 2.889 123.417 120.500 0.047 0.000 2.707 357 R HA 0.442 4.772 4.340 -0.016 0.000 0.272 357 R C -0.750 175.565 176.300 0.024 0.000 1.011 357 R CA -0.738 55.375 56.100 0.020 0.000 0.893 357 R CB 1.154 31.454 30.300 -0.001 0.000 1.233 357 R HN 0.611 nan 8.270 nan 0.000 0.464 358 I N 3.177 123.727 120.570 -0.032 0.000 2.815 358 I HA -0.032 4.128 4.170 -0.016 0.000 0.291 358 I C 0.440 176.642 176.117 0.143 0.000 1.209 358 I CA 0.656 61.959 61.300 0.006 0.000 1.431 358 I CB 0.409 38.349 38.000 -0.099 0.000 1.351 358 I HN 0.390 nan 8.210 nan 0.000 0.585 359 K N 4.258 124.740 120.400 0.136 0.000 2.270 359 K HA 0.133 4.443 4.320 -0.016 0.000 0.276 359 K C 1.021 177.770 176.600 0.249 0.000 1.023 359 K CA -0.538 55.848 56.287 0.165 0.000 0.955 359 K CB 1.315 33.869 32.500 0.091 0.000 0.975 359 K HN 0.385 nan 8.250 nan 0.000 0.471 360 V N 2.030 122.073 119.914 0.216 0.000 2.363 360 V HA -0.329 3.782 4.120 -0.016 0.000 0.254 360 V C 1.904 178.097 176.094 0.165 0.000 1.074 360 V CA 2.088 64.524 62.300 0.228 0.000 1.069 360 V CB -0.505 31.331 31.823 0.022 0.000 0.659 360 V HN 0.813 nan 8.190 nan 0.000 0.455 361 S N -0.542 115.207 115.700 0.082 0.000 2.351 361 S HA -0.276 4.185 4.470 -0.016 0.000 0.220 361 S C 1.896 176.494 174.600 -0.003 0.000 1.035 361 S CA 1.913 60.126 58.200 0.022 0.000 1.031 361 S CB -0.385 62.836 63.200 0.035 0.000 0.928 361 S HN 0.718 nan 8.310 nan 0.000 0.433 362 E N -0.118 120.100 120.200 0.029 0.000 2.049 362 E HA -0.230 4.110 4.350 -0.016 0.000 0.198 362 E C 1.988 178.545 176.600 -0.072 0.000 1.007 362 E CA 1.653 58.043 56.400 -0.016 0.000 0.809 362 E CB -0.325 29.382 29.700 0.011 0.000 0.749 362 E HN 0.618 nan 8.360 nan 0.000 0.450 363 Y N 1.992 122.234 120.300 -0.096 0.000 2.097 363 Y HA -0.264 4.276 4.550 -0.016 0.000 0.282 363 Y C 1.959 177.780 175.900 -0.131 0.000 1.152 363 Y CA 1.537 59.551 58.100 -0.143 0.000 1.136 363 Y CB -0.136 38.276 38.460 -0.079 0.000 0.975 363 Y HN -0.192 nan 8.280 nan 0.000 0.498 364 K N 0.660 120.758 120.400 -0.503 0.000 2.044 364 K HA -0.292 4.019 4.320 -0.016 0.000 0.210 364 K C 2.207 178.549 176.600 -0.429 0.000 1.049 364 K CA 1.985 57.940 56.287 -0.553 0.000 0.927 364 K CB -0.849 31.505 32.500 -0.244 0.000 0.713 364 K HN 0.650 nan 8.250 nan 0.000 0.443 365 Q N 0.260 119.889 119.800 -0.285 0.000 2.030 365 Q HA -0.145 4.186 4.340 -0.016 0.000 0.204 365 Q C 2.240 178.070 176.000 -0.283 0.000 0.986 365 Q CA 1.701 57.372 55.803 -0.221 0.000 0.843 365 Q CB -0.043 28.613 28.738 -0.137 0.000 0.904 365 Q HN 0.263 nan 8.270 nan 0.000 0.420 366 M N 0.006 119.363 119.600 -0.404 0.000 2.073 366 M HA -0.248 4.223 4.480 -0.016 0.000 0.258 366 M C 2.350 178.423 176.300 -0.377 0.000 1.070 366 M CA 1.901 56.853 55.300 -0.580 0.000 1.103 366 M CB -0.425 31.687 32.600 -0.814 0.000 1.321 366 M HN 0.407 nan 8.290 nan 0.000 0.405 367 A N 0.224 122.771 122.820 -0.455 0.000 1.908 367 A HA -0.078 4.233 4.320 -0.016 0.000 0.218 367 A C 2.169 179.620 177.584 -0.222 0.000 1.181 367 A CA 1.765 53.600 52.037 -0.337 0.000 0.627 367 A CB -1.601 17.041 19.000 -0.598 0.000 0.818 367 A HN 0.609 nan 8.150 nan 0.000 0.445 368 G N -1.169 107.481 108.800 -0.250 0.000 2.780 368 G HA2 -0.084 3.866 3.960 -0.016 0.000 0.205 368 G HA3 -0.084 3.866 3.960 -0.016 0.000 0.205 368 G C 1.303 176.149 174.900 -0.090 0.000 1.158 368 G CA 0.485 45.488 45.100 -0.162 0.000 0.812 368 G HN 0.591 nan 8.290 nan 0.000 0.521 369 R N -0.666 119.801 120.500 -0.055 0.000 2.397 369 R HA 0.294 4.624 4.340 -0.016 0.000 0.241 369 R C 2.550 178.870 176.300 0.034 0.000 0.914 369 R CA 0.452 56.560 56.100 0.015 0.000 1.071 369 R CB 0.313 30.663 30.300 0.084 0.000 1.116 369 R HN 0.247 nan 8.270 nan 0.000 0.524 370 A N 1.393 124.218 122.820 0.009 0.000 2.019 370 A HA 0.010 4.320 4.320 -0.016 0.000 0.219 370 A C 1.362 178.950 177.584 0.007 0.000 1.164 370 A CA 1.070 53.120 52.037 0.023 0.000 0.644 370 A CB -0.550 18.456 19.000 0.011 0.000 0.805 370 A HN 0.311 nan 8.150 nan 0.000 0.449 371 G N -0.872 107.916 108.800 -0.019 0.000 2.432 371 G HA2 0.363 4.313 3.960 -0.016 0.000 0.239 371 G HA3 0.363 4.313 3.960 -0.016 0.000 0.239 371 G C 0.230 175.123 174.900 -0.013 0.000 1.291 371 G CA -0.411 44.671 45.100 -0.030 0.000 0.863 371 G HN 0.408 nan 8.290 nan 0.000 0.560 372 R N 2.872 123.364 120.500 -0.014 0.000 2.782 372 R HA 0.228 4.559 4.340 -0.016 0.000 0.293 372 R C -2.300 173.992 176.300 -0.013 0.000 1.333 372 R CA -1.474 54.619 56.100 -0.012 0.000 1.479 372 R CB 1.016 31.307 30.300 -0.016 0.000 1.306 372 R HN 0.432 nan 8.270 nan 0.000 0.654 373 P HA -0.114 nan 4.420 nan 0.000 0.257 373 P C 0.384 177.686 177.300 0.002 0.000 1.153 373 P CA 1.819 64.917 63.100 -0.003 0.000 0.762 373 P CB 0.488 32.188 31.700 -0.001 0.000 0.743 374 G N 2.688 111.494 108.800 0.009 0.000 2.137 374 G HA2 -0.283 3.667 3.960 -0.016 0.000 0.237 374 G HA3 -0.283 3.667 3.960 -0.016 0.000 0.237 374 G C 0.324 175.222 174.900 -0.003 0.000 1.002 374 G CA 0.454 45.558 45.100 0.007 0.000 0.702 374 G HN 0.541 nan 8.290 nan 0.000 0.515 375 M N -1.597 118.000 119.600 -0.005 0.000 1.784 375 M HA 0.232 4.703 4.480 -0.016 0.000 0.334 375 M C -0.721 175.574 176.300 -0.009 0.000 0.867 375 M CA 0.105 55.398 55.300 -0.012 0.000 1.132 375 M CB 0.931 33.516 32.600 -0.026 0.000 2.208 375 M HN 0.049 nan 8.290 nan 0.000 0.787 376 D N 0.440 120.837 120.400 -0.005 0.000 2.490 376 D HA 0.400 5.031 4.640 -0.016 0.000 0.232 376 D C -1.233 175.071 176.300 0.006 0.000 1.053 376 D CA -0.176 53.824 54.000 -0.000 0.000 0.914 376 D CB 1.918 42.716 40.800 -0.003 0.000 1.431 376 D HN -0.093 nan 8.370 nan 0.000 0.483 377 E N 1.610 121.816 120.200 0.011 0.000 2.346 377 E HA 0.375 4.716 4.350 -0.016 0.000 0.239 377 E C -0.871 175.739 176.600 0.017 0.000 0.943 377 E CA -0.462 55.949 56.400 0.018 0.000 0.751 377 E CB 0.097 29.811 29.700 0.022 0.000 1.241 377 E HN 0.341 nan 8.360 nan 0.000 0.423 378 R N 1.006 121.512 120.500 0.011 0.000 4.422 378 R HA 0.065 4.395 4.340 -0.016 0.000 0.210 378 R C -0.611 175.693 176.300 0.005 0.000 0.603 378 R CA 0.281 56.387 56.100 0.010 0.000 0.779 378 R CB -1.454 28.860 30.300 0.023 0.000 1.326 378 R HN 0.670 nan 8.270 nan 0.000 0.408 379 G N 0.744 109.548 108.800 0.007 0.000 2.740 379 G HA2 0.558 4.508 3.960 -0.016 0.000 0.296 379 G HA3 0.558 4.508 3.960 -0.016 0.000 0.296 379 G C -1.442 173.472 174.900 0.024 0.000 1.439 379 G CA -0.456 44.650 45.100 0.010 0.000 1.066 379 G HN 0.395 nan 8.290 nan 0.000 0.527 380 E N 0.446 120.669 120.200 0.039 0.000 2.166 380 E HA 0.651 4.991 4.350 -0.016 0.000 0.275 380 E C -0.326 176.313 176.600 0.065 0.000 0.941 380 E CA -0.724 55.709 56.400 0.055 0.000 0.784 380 E CB 1.678 31.415 29.700 0.061 0.000 1.115 380 E HN 0.687 nan 8.360 nan 0.000 0.399 381 A N 4.760 127.624 122.820 0.073 0.000 2.375 381 A HA 0.507 4.818 4.320 -0.016 0.000 0.291 381 A C -1.258 176.395 177.584 0.116 0.000 1.160 381 A CA -0.596 51.494 52.037 0.089 0.000 0.747 381 A CB 0.307 19.341 19.000 0.057 0.000 1.170 381 A HN 0.504 nan 8.150 nan 0.000 0.458 382 I N 2.805 123.436 120.570 0.101 0.000 2.378 382 I HA 0.360 4.520 4.170 -0.016 0.000 0.291 382 I C -0.152 175.979 176.117 0.024 0.000 0.992 382 I CA -0.145 61.197 61.300 0.070 0.000 1.154 382 I CB 1.698 39.731 38.000 0.054 0.000 1.315 382 I HN 0.528 nan 8.210 nan 0.000 0.448 383 I N 6.975 127.529 120.570 -0.026 0.000 2.287 383 I HA 0.286 4.447 4.170 -0.016 0.000 0.290 383 I C -0.101 175.953 176.117 -0.106 0.000 1.069 383 I CA -0.342 60.883 61.300 -0.125 0.000 1.237 383 I CB 0.235 38.059 38.000 -0.293 0.000 1.418 383 I HN 0.395 nan 8.210 nan 0.000 0.481 384 I N 7.479 127.979 120.570 -0.116 0.000 2.406 384 I HA 0.106 4.267 4.170 -0.016 0.000 0.293 384 I C -0.003 176.068 176.117 -0.076 0.000 1.101 384 I CA -0.040 61.195 61.300 -0.109 0.000 1.334 384 I CB 0.129 38.010 38.000 -0.199 0.000 1.421 384 I HN 0.242 nan 8.210 nan 0.000 0.513 385 V N 5.496 125.387 119.914 -0.039 0.000 2.919 385 V HA 0.547 4.657 4.120 -0.016 0.000 0.316 385 V C 0.952 177.066 176.094 0.033 0.000 1.077 385 V CA -0.543 61.756 62.300 -0.001 0.000 0.977 385 V CB 1.509 33.325 31.823 -0.011 0.000 1.039 385 V HN 0.824 nan 8.190 nan 0.000 0.441 386 G N 0.839 109.681 108.800 0.069 0.000 2.586 386 G HA2 0.105 4.056 3.960 -0.016 0.000 0.199 386 G HA3 0.105 4.056 3.960 -0.016 0.000 0.199 386 G C 0.499 175.435 174.900 0.061 0.000 1.614 386 G CA 0.765 45.904 45.100 0.064 0.000 0.921 386 G HN 0.674 nan 8.290 nan 0.000 0.428 387 K N -0.762 119.679 120.400 0.069 0.000 3.253 387 K HA 0.183 4.493 4.320 -0.016 0.000 0.171 387 K C 0.247 176.888 176.600 0.067 0.000 1.035 387 K CA -0.397 55.927 56.287 0.061 0.000 1.013 387 K CB 0.547 33.076 32.500 0.048 0.000 0.674 387 K HN 0.159 nan 8.250 nan 0.000 0.407 388 R N 1.967 122.521 120.500 0.091 0.000 4.680 388 R HA 0.054 4.384 4.340 -0.016 0.000 0.222 388 R C -0.873 175.479 176.300 0.087 0.000 1.803 388 R CA 0.353 56.511 56.100 0.096 0.000 1.560 388 R CB -0.792 29.598 30.300 0.150 0.000 1.412 388 R HN 0.345 nan 8.270 nan 0.000 0.815 389 D N 0.966 121.406 120.400 0.066 0.000 3.187 389 D HA -0.192 4.439 4.640 -0.016 0.000 0.244 389 D C 0.720 177.057 176.300 0.062 0.000 1.114 389 D CA 0.841 54.875 54.000 0.057 0.000 0.920 389 D CB -0.130 40.700 40.800 0.050 0.000 0.970 389 D HN 0.674 nan 8.370 nan 0.000 0.418 390 R N 1.913 122.450 120.500 0.063 0.000 2.332 390 R HA -0.237 4.094 4.340 -0.016 0.000 0.239 390 R C 1.633 177.969 176.300 0.061 0.000 1.160 390 R CA 1.775 57.911 56.100 0.061 0.000 1.020 390 R CB -0.398 29.941 30.300 0.065 0.000 0.859 390 R HN 0.659 nan 8.270 nan 0.000 0.478 391 E N 1.719 121.953 120.200 0.058 0.000 2.130 391 E HA -0.224 4.117 4.350 -0.016 0.000 0.196 391 E C 2.052 178.674 176.600 0.038 0.000 0.998 391 E CA 2.130 58.560 56.400 0.050 0.000 0.806 391 E CB -0.282 29.439 29.700 0.035 0.000 0.738 391 E HN 0.701 nan 8.360 nan 0.000 0.459 392 I N -0.226 120.368 120.570 0.041 0.000 2.208 392 I HA -0.185 3.976 4.170 -0.016 0.000 0.245 392 I C 2.619 178.791 176.117 0.091 0.000 1.097 392 I CA 1.388 62.710 61.300 0.037 0.000 1.363 392 I CB -0.756 37.280 38.000 0.059 0.000 1.051 392 I HN 0.021 nan 8.210 nan 0.000 0.413 393 A N 0.812 123.697 122.820 0.107 0.000 2.121 393 A HA 0.032 4.342 4.320 -0.016 0.000 0.218 393 A C 2.333 179.931 177.584 0.023 0.000 1.154 393 A CA 1.484 53.585 52.037 0.107 0.000 0.679 393 A CB -0.506 18.459 19.000 -0.060 0.000 0.795 393 A HN 0.340 nan 8.150 nan 0.000 0.458 394 V N -0.775 119.154 119.914 0.023 0.000 2.627 394 V HA -0.026 4.085 4.120 -0.016 0.000 0.239 394 V C 2.279 178.419 176.094 0.076 0.000 1.077 394 V CA 1.543 63.849 62.300 0.011 0.000 1.103 394 V CB -0.468 31.395 31.823 0.066 0.000 0.802 394 V HN 0.553 nan 8.190 nan 0.000 0.482 395 K N -0.187 120.235 120.400 0.036 0.000 2.209 395 K HA -0.112 4.199 4.320 -0.016 0.000 0.204 395 K C 2.274 178.852 176.600 -0.038 0.000 1.048 395 K CA 1.368 57.658 56.287 0.005 0.000 0.940 395 K CB 0.104 32.590 32.500 -0.022 0.000 0.729 395 K HN 0.281 nan 8.250 nan 0.000 0.451 396 R N -1.738 118.692 120.500 -0.117 0.000 2.194 396 R HA 0.061 4.392 4.340 -0.016 0.000 0.194 396 R C 1.931 178.009 176.300 -0.370 0.000 0.985 396 R CA 0.420 56.348 56.100 -0.285 0.000 1.104 396 R CB -0.030 29.988 30.300 -0.469 0.000 1.092 396 R HN 0.134 nan 8.270 nan 0.000 0.555 397 Y N 1.093 121.326 120.300 -0.112 0.000 2.163 397 Y HA 0.025 4.566 4.550 -0.016 0.000 0.288 397 Y C 2.276 178.132 175.900 -0.074 0.000 1.112 397 Y CA 0.942 58.952 58.100 -0.151 0.000 1.104 397 Y CB -0.400 37.776 38.460 -0.473 0.000 1.016 397 Y HN -0.117 nan 8.280 nan 0.000 0.497 398 I N -1.077 119.451 120.570 -0.070 0.000 2.090 398 I HA -0.255 3.905 4.170 -0.016 0.000 0.236 398 I C -0.039 175.854 176.117 -0.373 0.000 1.064 398 I CA 1.350 62.506 61.300 -0.241 0.000 1.324 398 I CB -0.457 37.210 38.000 -0.555 0.000 1.044 398 I HN -0.035 nan 8.210 nan 0.000 0.399 399 F N 1.002 120.860 119.950 -0.154 0.000 2.334 399 F HA 0.610 5.128 4.527 -0.016 0.000 0.367 399 F C 0.489 176.227 175.800 -0.103 0.000 1.115 399 F CA -0.503 57.423 58.000 -0.122 0.000 1.116 399 F CB 1.182 40.094 39.000 -0.147 0.000 1.230 399 F HN 0.004 nan 8.300 nan 0.000 0.484 400 G N 2.428 111.257 108.800 0.049 0.000 2.443 400 G HA2 0.218 4.168 3.960 -0.016 0.000 0.303 400 G HA3 0.218 4.168 3.960 -0.016 0.000 0.303 400 G C -1.955 172.930 174.900 -0.025 0.000 1.613 400 G CA -1.006 44.087 45.100 -0.013 0.000 0.879 400 G HN 0.485 nan 8.290 nan 0.000 0.632 401 E N 1.847 122.027 120.200 -0.033 0.000 2.390 401 E HA 0.464 4.804 4.350 -0.016 0.000 0.261 401 E C -1.749 174.827 176.600 -0.039 0.000 1.076 401 E CA -1.415 54.966 56.400 -0.031 0.000 0.905 401 E CB 1.318 31.002 29.700 -0.028 0.000 0.984 401 E HN 0.280 nan 8.360 nan 0.000 0.427 402 P HA 0.072 nan 4.420 nan 0.000 0.278 402 P C -0.986 176.304 177.300 -0.016 0.000 1.258 402 P CA -0.466 62.621 63.100 -0.021 0.000 0.811 402 P CB 0.673 32.358 31.700 -0.024 0.000 1.063 403 E N 0.844 121.041 120.200 -0.005 0.000 2.418 403 E HA 0.013 4.353 4.350 -0.016 0.000 0.261 403 E C 0.462 177.070 176.600 0.014 0.000 1.070 403 E CA -0.113 56.288 56.400 0.002 0.000 0.931 403 E CB 0.496 30.206 29.700 0.016 0.000 0.954 403 E HN 0.427 nan 8.360 nan 0.000 0.439 404 R N 1.984 122.492 120.500 0.014 0.000 2.491 404 R HA 0.161 4.492 4.340 -0.016 0.000 0.283 404 R C -0.041 176.290 176.300 0.052 0.000 1.072 404 R CA -0.420 55.696 56.100 0.026 0.000 1.048 404 R CB 0.261 30.569 30.300 0.012 0.000 0.983 404 R HN 0.517 nan 8.270 nan 0.000 0.450 405 I N 4.633 125.249 120.570 0.077 0.000 2.494 405 I HA -0.004 4.156 4.170 -0.016 0.000 0.289 405 I C 0.361 176.578 176.117 0.165 0.000 1.106 405 I CA 0.356 61.721 61.300 0.108 0.000 1.369 405 I CB 0.696 38.755 38.000 0.098 0.000 1.410 405 I HN 0.629 nan 8.210 nan 0.000 0.523 406 T N 1.858 116.496 114.554 0.139 0.000 2.772 406 T HA 0.296 4.636 4.350 -0.016 0.000 0.288 406 T C 0.022 174.838 174.700 0.194 0.000 0.994 406 T CA -0.817 61.370 62.100 0.144 0.000 0.951 406 T CB 1.496 70.410 68.868 0.078 0.000 0.933 406 T HN 0.487 nan 8.240 nan 0.000 0.447 407 S N 2.159 118.028 115.700 0.281 0.000 2.558 407 S HA 0.139 4.599 4.470 -0.016 0.000 0.291 407 S C 0.668 175.438 174.600 0.283 0.000 1.306 407 S CA -0.145 58.251 58.200 0.325 0.000 1.056 407 S CB 0.290 63.725 63.200 0.392 0.000 0.836 407 S HN 0.765 nan 8.310 nan 0.000 0.504 408 K N 3.138 123.671 120.400 0.222 0.000 2.413 408 K HA 0.316 4.627 4.320 -0.016 0.000 0.204 408 K C 1.102 177.786 176.600 0.141 0.000 1.041 408 K CA -0.137 56.255 56.287 0.175 0.000 1.082 408 K CB 0.043 32.637 32.500 0.156 0.000 0.871 408 K HN 0.564 nan 8.250 nan 0.000 0.535 409 L N 0.260 121.548 121.223 0.109 0.000 2.263 409 L HA -0.084 4.247 4.340 -0.016 0.000 0.216 409 L C 1.663 178.401 176.870 -0.220 0.000 1.111 409 L CA 1.874 56.737 54.840 0.040 0.000 0.773 409 L CB -0.624 41.442 42.059 0.011 0.000 0.906 409 L HN 0.299 nan 8.230 nan 0.000 0.439 410 G N -0.654 107.820 108.800 -0.544 0.000 2.469 410 G HA2 -0.192 3.758 3.960 -0.016 0.000 0.219 410 G HA3 -0.192 3.758 3.960 -0.016 0.000 0.219 410 G C 0.796 175.515 174.900 -0.302 0.000 1.150 410 G CA 0.710 45.427 45.100 -0.639 0.000 0.763 410 G HN 0.250 nan 8.290 nan 0.000 0.561 411 V N 1.045 120.814 119.914 -0.240 0.000 2.953 411 V HA -0.086 4.025 4.120 -0.016 0.000 0.304 411 V C 1.563 177.528 176.094 -0.216 0.000 1.138 411 V CA 0.569 62.719 62.300 -0.250 0.000 1.266 411 V CB 0.755 32.333 31.823 -0.409 0.000 0.923 411 V HN 0.565 nan 8.190 nan 0.000 0.505 412 E N 2.026 122.122 120.200 -0.173 0.000 2.038 412 E HA -0.202 4.138 4.350 -0.016 0.000 0.195 412 E C 1.946 178.492 176.600 -0.091 0.000 1.000 412 E CA 1.812 58.125 56.400 -0.145 0.000 0.803 412 E CB -0.339 29.279 29.700 -0.137 0.000 0.750 412 E HN 0.951 nan 8.360 nan 0.000 0.448 413 T N 0.829 115.329 114.554 -0.089 0.000 2.397 413 T HA -0.313 4.028 4.350 -0.016 0.000 0.236 413 T C 1.613 176.410 174.700 0.161 0.000 1.393 413 T CA 2.194 64.301 62.100 0.011 0.000 1.148 413 T CB -1.168 67.672 68.868 -0.047 0.000 0.853 413 T HN 0.430 nan 8.240 nan 0.000 0.419 414 H N 1.025 120.140 119.070 0.076 0.000 2.357 414 H HA -0.066 4.481 4.556 -0.016 0.000 0.296 414 H C 2.460 177.979 175.328 0.318 0.000 1.108 414 H CA 1.193 57.358 56.048 0.194 0.000 1.273 414 H CB -0.407 29.461 29.762 0.177 0.000 1.367 414 H HN 0.205 nan 8.280 nan 0.000 0.498 415 L N 0.300 121.687 121.223 0.274 0.000 1.989 415 L HA -0.244 4.086 4.340 -0.016 0.000 0.211 415 L C 2.843 179.789 176.870 0.128 0.000 1.071 415 L CA 1.454 56.384 54.840 0.149 0.000 0.749 415 L CB -0.450 41.529 42.059 -0.135 0.000 0.890 415 L HN 0.246 nan 8.230 nan 0.000 0.431 416 R N -0.345 120.182 120.500 0.045 0.000 2.082 416 R HA -0.244 4.087 4.340 -0.016 0.000 0.234 416 R C 2.433 178.754 176.300 0.034 0.000 1.136 416 R CA 2.033 58.126 56.100 -0.012 0.000 0.935 416 R CB -0.510 29.771 30.300 -0.031 0.000 0.842 416 R HN 0.160 nan 8.270 nan 0.000 0.430 417 F N 1.113 121.024 119.950 -0.064 0.000 2.063 417 F HA -0.329 4.189 4.527 -0.016 0.000 0.298 417 F C 2.312 177.939 175.800 -0.287 0.000 1.109 417 F CA 2.113 59.986 58.000 -0.213 0.000 1.212 417 F CB -0.337 38.462 39.000 -0.336 0.000 0.973 417 F HN 0.202 nan 8.300 nan 0.000 0.480 418 H N -0.962 118.300 119.070 0.319 0.000 2.403 418 H HA -0.011 4.535 4.556 -0.016 0.000 0.298 418 H C 2.466 177.814 175.328 0.034 0.000 1.059 418 H CA 1.272 57.428 56.048 0.180 0.000 1.363 418 H CB -0.632 29.267 29.762 0.229 0.000 1.410 418 H HN 0.268 nan 8.280 nan 0.000 0.528 419 S N 1.647 117.475 115.700 0.213 0.000 2.359 419 S HA -0.173 4.288 4.470 -0.016 0.000 0.222 419 S C 2.313 176.886 174.600 -0.044 0.000 1.038 419 S CA 1.326 59.583 58.200 0.096 0.000 1.051 419 S CB -0.656 62.553 63.200 0.015 0.000 0.944 419 S HN 0.209 nan 8.310 nan 0.000 0.433 420 L N 2.135 123.299 121.223 -0.098 0.000 2.034 420 L HA -0.183 4.148 4.340 -0.016 0.000 0.217 420 L C 2.400 179.188 176.870 -0.138 0.000 1.077 420 L CA 2.460 57.218 54.840 -0.138 0.000 0.769 420 L CB -1.349 40.594 42.059 -0.194 0.000 0.890 420 L HN 0.368 nan 8.230 nan 0.000 0.435 421 S N -0.795 114.804 115.700 -0.168 0.000 2.356 421 S HA -0.164 4.297 4.470 -0.016 0.000 0.223 421 S C 2.061 176.611 174.600 -0.083 0.000 1.032 421 S CA 1.570 59.694 58.200 -0.125 0.000 1.005 421 S CB -0.511 62.623 63.200 -0.110 0.000 0.867 421 S HN 0.534 nan 8.310 nan 0.000 0.449 422 I N 1.444 121.920 120.570 -0.156 0.000 2.179 422 I HA -0.165 3.996 4.170 -0.016 0.000 0.242 422 I C 2.201 178.288 176.117 -0.051 0.000 1.088 422 I CA 1.485 62.644 61.300 -0.235 0.000 1.357 422 I CB -0.518 37.182 38.000 -0.500 0.000 1.051 422 I HN 0.333 nan 8.210 nan 0.000 0.409 423 I N 0.046 120.578 120.570 -0.063 0.000 2.454 423 I HA -0.256 3.904 4.170 -0.016 0.000 0.254 423 I C 2.428 178.519 176.117 -0.043 0.000 1.156 423 I CA 0.827 62.099 61.300 -0.048 0.000 1.433 423 I CB -0.535 37.423 38.000 -0.070 0.000 1.082 423 I HN 0.377 nan 8.210 nan 0.000 0.432 424 C N 0.574 119.853 119.300 -0.034 0.000 2.544 424 C HA -0.049 4.401 4.460 -0.016 0.000 0.280 424 C C 2.205 177.197 174.990 0.004 0.000 1.295 424 C CA 0.348 59.350 59.018 -0.028 0.000 1.702 424 C CB -0.796 26.924 27.740 -0.035 0.000 2.090 424 C HN 0.454 nan 8.230 nan 0.000 0.493 425 D N 0.309 120.748 120.400 0.065 0.000 2.392 425 D HA 0.143 4.773 4.640 -0.016 0.000 0.228 425 D C 1.644 177.932 176.300 -0.022 0.000 1.003 425 D CA 1.372 55.432 54.000 0.099 0.000 0.917 425 D CB -0.508 40.482 40.800 0.316 0.000 0.890 425 D HN 0.634 nan 8.370 nan 0.000 0.532 426 G N -0.581 108.217 108.800 -0.004 0.000 2.132 426 G HA2 -0.351 3.599 3.960 -0.016 0.000 0.228 426 G HA3 -0.351 3.599 3.960 -0.016 0.000 0.228 426 G C 0.588 175.422 174.900 -0.111 0.000 1.000 426 G CA 0.230 45.283 45.100 -0.078 0.000 0.693 426 G HN 0.341 nan 8.290 nan 0.000 0.515 427 Y N -0.082 120.204 120.300 -0.024 0.000 2.262 427 Y HA 0.525 5.066 4.550 -0.016 0.000 0.295 427 Y C 2.014 177.944 175.900 0.049 0.000 1.121 427 Y CA 1.233 59.348 58.100 0.025 0.000 1.144 427 Y CB 0.271 38.717 38.460 -0.024 0.000 1.043 427 Y HN 0.638 nan 8.280 nan 0.000 0.528 428 A N 0.241 123.159 122.820 0.163 0.000 2.304 428 A HA 0.436 4.746 4.320 -0.016 0.000 0.314 428 A C 0.411 178.039 177.584 0.074 0.000 1.187 428 A CA -0.623 51.487 52.037 0.123 0.000 0.810 428 A CB 0.849 19.910 19.000 0.101 0.000 1.183 428 A HN 0.324 nan 8.150 nan 0.000 0.487 429 K N 0.716 121.181 120.400 0.108 0.000 2.354 429 K HA 0.097 4.407 4.320 -0.016 0.000 0.194 429 K C 0.562 177.254 176.600 0.153 0.000 1.045 429 K CA 1.111 57.473 56.287 0.125 0.000 1.026 429 K CB 0.509 33.241 32.500 0.388 0.000 0.866 429 K HN 0.840 nan 8.250 nan 0.000 0.530 430 T N -2.518 112.107 114.554 0.118 0.000 2.887 430 T HA 0.218 4.558 4.350 -0.016 0.000 0.292 430 T C 0.644 175.375 174.700 0.052 0.000 1.087 430 T CA -0.912 61.242 62.100 0.089 0.000 1.009 430 T CB 1.414 70.331 68.868 0.083 0.000 1.203 430 T HN -0.108 nan 8.240 nan 0.000 0.518 431 L N 0.742 121.981 121.223 0.028 0.000 2.083 431 L HA 0.132 4.462 4.340 -0.016 0.000 0.209 431 L C 2.324 179.209 176.870 0.026 0.000 1.083 431 L CA 1.942 56.787 54.840 0.009 0.000 0.752 431 L CB -1.286 40.766 42.059 -0.012 0.000 0.899 431 L HN 0.895 nan 8.230 nan 0.000 0.433 432 E N 0.328 120.548 120.200 0.033 0.000 2.013 432 E HA -0.278 4.062 4.350 -0.016 0.000 0.202 432 E C 2.006 178.644 176.600 0.063 0.000 1.018 432 E CA 2.025 58.448 56.400 0.038 0.000 0.834 432 E CB -0.392 29.329 29.700 0.035 0.000 0.770 432 E HN 0.738 nan 8.360 nan 0.000 0.459 433 E N 0.621 120.870 120.200 0.082 0.000 2.463 433 E HA -0.195 4.146 4.350 -0.016 0.000 0.201 433 E C 1.876 178.581 176.600 0.176 0.000 1.045 433 E CA 0.614 57.087 56.400 0.122 0.000 0.872 433 E CB -0.085 29.689 29.700 0.123 0.000 0.797 433 E HN 0.213 nan 8.360 nan 0.000 0.538 434 L N 1.231 122.540 121.223 0.144 0.000 2.127 434 L HA -0.002 4.328 4.340 -0.016 0.000 0.203 434 L C 1.987 179.018 176.870 0.268 0.000 1.080 434 L CA 1.556 56.510 54.840 0.190 0.000 0.768 434 L CB -0.136 41.975 42.059 0.087 0.000 0.924 434 L HN -0.043 nan 8.230 nan 0.000 0.444 435 E N -0.294 119.987 120.200 0.135 0.000 2.110 435 E HA -0.227 4.114 4.350 -0.016 0.000 0.193 435 E C 1.643 178.306 176.600 0.105 0.000 0.988 435 E CA 1.355 57.810 56.400 0.091 0.000 0.804 435 E CB -0.166 29.545 29.700 0.018 0.000 0.745 435 E HN 0.532 nan 8.360 nan 0.000 0.458 436 D N 0.347 120.810 120.400 0.105 0.000 2.117 436 D HA -0.143 4.488 4.640 -0.016 0.000 0.197 436 D C 1.594 177.958 176.300 0.106 0.000 0.987 436 D CA 0.655 54.692 54.000 0.061 0.000 0.829 436 D CB -0.394 40.451 40.800 0.075 0.000 0.961 436 D HN 0.066 nan 8.370 nan 0.000 0.460 437 F N 0.638 120.638 119.950 0.084 0.000 2.025 437 F HA -0.267 4.250 4.527 -0.016 0.000 0.297 437 F C 2.041 177.852 175.800 0.019 0.000 1.132 437 F CA 1.480 59.512 58.000 0.053 0.000 1.191 437 F CB -0.465 38.569 39.000 0.057 0.000 0.963 437 F HN -0.137 nan 8.300 nan 0.000 0.481 438 F N 0.400 120.497 119.950 0.245 0.000 2.373 438 F HA -0.138 4.379 4.527 -0.016 0.000 0.300 438 F C 2.356 178.148 175.800 -0.013 0.000 1.080 438 F CA 0.889 58.971 58.000 0.136 0.000 1.417 438 F CB -1.147 37.928 39.000 0.125 0.000 1.070 438 F HN 0.098 nan 8.300 nan 0.000 0.546 439 A N -0.396 122.405 122.820 -0.033 0.000 1.968 439 A HA -0.132 4.178 4.320 -0.016 0.000 0.217 439 A C 1.616 179.178 177.584 -0.037 0.000 1.169 439 A CA 1.555 53.340 52.037 -0.421 0.000 0.638 439 A CB -0.523 18.127 19.000 -0.584 0.000 0.812 439 A HN 0.199 nan 8.150 nan 0.000 0.446 440 D N 0.256 120.638 120.400 -0.030 0.000 2.352 440 D HA 0.063 4.694 4.640 -0.016 0.000 0.232 440 D C 0.367 176.801 176.300 0.223 0.000 1.055 440 D CA 0.459 54.499 54.000 0.066 0.000 0.891 440 D CB -0.333 40.400 40.800 -0.112 0.000 0.897 440 D HN 0.276 nan 8.370 nan 0.000 0.529 441 T N -0.102 114.548 114.554 0.160 0.000 2.828 441 T HA 0.035 4.375 4.350 -0.016 0.000 0.290 441 T C 0.936 175.572 174.700 -0.107 0.000 1.019 441 T CA -0.572 61.601 62.100 0.123 0.000 1.031 441 T CB 0.728 69.669 68.868 0.121 0.000 1.001 441 T HN -0.024 nan 8.240 nan 0.000 0.531 442 F N 0.808 120.213 119.950 -0.908 0.000 2.407 442 F HA 0.074 4.591 4.527 -0.016 0.000 0.299 442 F C 1.637 177.161 175.800 -0.460 0.000 1.097 442 F CA 0.514 57.697 58.000 -1.362 0.000 1.422 442 F CB -0.393 37.523 39.000 -1.807 0.000 1.067 442 F HN 0.652 nan 8.300 nan 0.000 0.539 443 F N -0.571 119.212 119.950 -0.279 0.000 2.146 443 F HA -0.156 4.361 4.527 -0.016 0.000 0.298 443 F C 2.058 177.785 175.800 -0.122 0.000 1.096 443 F CA 1.518 59.420 58.000 -0.164 0.000 1.275 443 F CB -0.673 38.343 39.000 0.028 0.000 1.008 443 F HN 0.049 nan 8.300 nan 0.000 0.480 444 F N 1.699 121.559 119.950 -0.150 0.000 2.039 444 F HA -0.121 4.396 4.527 -0.016 0.000 0.294 444 F C 2.561 178.176 175.800 -0.309 0.000 1.130 444 F CA 2.157 60.042 58.000 -0.191 0.000 1.189 444 F CB -1.098 37.907 39.000 0.009 0.000 0.983 444 F HN -0.080 nan 8.300 nan 0.000 0.471 445 K N 0.404 120.631 120.400 -0.287 0.000 2.163 445 K HA -0.315 3.996 4.320 -0.016 0.000 0.210 445 K C 2.216 178.486 176.600 -0.551 0.000 1.048 445 K CA 2.217 58.279 56.287 -0.375 0.000 0.928 445 K CB -0.491 31.904 32.500 -0.175 0.000 0.716 445 K HN 0.555 nan 8.250 nan 0.000 0.459 446 Q N -0.736 118.619 119.800 -0.741 0.000 2.062 446 Q HA -0.053 4.278 4.340 -0.016 0.000 0.196 446 Q C 0.119 175.777 176.000 -0.570 0.000 0.967 446 Q CA 1.653 57.028 55.803 -0.714 0.000 0.832 446 Q CB 0.264 28.456 28.738 -0.910 0.000 0.899 446 Q HN 0.577 nan 8.270 nan 0.000 0.442 447 N N -0.633 117.665 118.700 -0.670 0.000 2.241 447 N HA 0.130 4.860 4.740 -0.016 0.000 0.238 447 N C -1.361 173.855 175.510 -0.489 0.000 1.244 447 N CA -0.134 52.590 53.050 -0.543 0.000 0.880 447 N CB 0.683 38.849 38.487 -0.535 0.000 1.179 447 N HN 0.080 nan 8.380 nan 0.000 0.513 448 E N 0.919 120.717 120.200 -0.669 0.000 1.906 448 E HA -0.223 4.118 4.350 -0.016 0.000 0.168 448 E C -0.702 175.851 176.600 -0.078 0.000 1.352 448 E CA 0.518 56.446 56.400 -0.787 0.000 0.615 448 E CB -1.148 28.124 29.700 -0.713 0.000 1.036 448 E HN 0.581 nan 8.360 nan 0.000 0.294 449 I N 0.742 121.399 120.570 0.145 0.000 2.404 449 I HA 0.132 4.293 4.170 -0.016 0.000 0.293 449 I C 0.532 176.865 176.117 0.359 0.000 0.992 449 I CA -0.617 60.816 61.300 0.222 0.000 1.149 449 I CB 1.853 39.962 38.000 0.182 0.000 1.315 449 I HN 0.039 nan 8.210 nan 0.000 0.446 450 S N 6.143 121.986 115.700 0.237 0.000 2.499 450 S HA 0.373 4.833 4.470 -0.016 0.000 0.275 450 S C 0.539 175.220 174.600 0.134 0.000 1.257 450 S CA -0.454 57.838 58.200 0.153 0.000 1.050 450 S CB 0.455 63.714 63.200 0.098 0.000 0.937 450 S HN 0.580 nan 8.310 nan 0.000 0.490 451 L N 4.607 125.882 121.223 0.086 0.000 2.700 451 L HA 0.138 4.468 4.340 -0.016 0.000 0.234 451 L C 2.038 178.884 176.870 -0.040 0.000 1.156 451 L CA -0.120 54.730 54.840 0.015 0.000 0.946 451 L CB -0.201 41.804 42.059 -0.090 0.000 1.216 451 L HN 0.639 nan 8.230 nan 0.000 0.493 452 S N -0.092 115.608 115.700 0.001 0.000 2.400 452 S HA -0.302 4.158 4.470 -0.016 0.000 0.234 452 S C 1.678 176.296 174.600 0.029 0.000 1.049 452 S CA 1.834 60.033 58.200 -0.002 0.000 1.039 452 S CB -0.373 62.843 63.200 0.027 0.000 0.856 452 S HN 0.564 nan 8.310 nan 0.000 0.465 453 Y N 3.104 123.367 120.300 -0.063 0.000 2.062 453 Y HA -0.258 4.282 4.550 -0.016 0.000 0.272 453 Y C 2.787 178.630 175.900 -0.096 0.000 1.117 453 Y CA 1.899 59.959 58.100 -0.067 0.000 1.095 453 Y CB -0.299 38.131 38.460 -0.051 0.000 0.985 453 Y HN 0.241 nan 8.280 nan 0.000 0.479 454 E N 0.565 120.513 120.200 -0.420 0.000 2.097 454 E HA -0.273 4.067 4.350 -0.016 0.000 0.196 454 E C 2.085 178.452 176.600 -0.389 0.000 1.000 454 E CA 1.424 57.514 56.400 -0.517 0.000 0.804 454 E CB -1.099 28.415 29.700 -0.309 0.000 0.740 454 E HN 0.499 nan 8.360 nan 0.000 0.454 455 L N 1.660 122.698 121.223 -0.308 0.000 2.187 455 L HA -0.146 4.184 4.340 -0.016 0.000 0.213 455 L C 2.473 179.195 176.870 -0.247 0.000 1.100 455 L CA 1.724 56.379 54.840 -0.309 0.000 0.765 455 L CB -0.501 41.372 42.059 -0.309 0.000 0.904 455 L HN 0.223 nan 8.230 nan 0.000 0.437 456 E N -0.996 119.070 120.200 -0.224 0.000 2.076 456 E HA -0.206 4.134 4.350 -0.016 0.000 0.190 456 E C 2.357 178.818 176.600 -0.233 0.000 0.979 456 E CA 0.463 56.757 56.400 -0.177 0.000 0.807 456 E CB 0.069 29.707 29.700 -0.103 0.000 0.761 456 E HN 0.333 nan 8.360 nan 0.000 0.454 457 R N 0.091 120.392 120.500 -0.332 0.000 2.083 457 R HA -0.146 4.184 4.340 -0.016 0.000 0.237 457 R C 2.333 178.432 176.300 -0.336 0.000 1.137 457 R CA 1.487 57.376 56.100 -0.352 0.000 0.951 457 R CB -0.303 29.717 30.300 -0.467 0.000 0.851 457 R HN 0.074 nan 8.270 nan 0.000 0.434 458 V N -0.019 119.696 119.914 -0.332 0.000 2.215 458 V HA -0.306 3.804 4.120 -0.016 0.000 0.246 458 V C 2.261 178.162 176.094 -0.320 0.000 1.047 458 V CA 2.173 64.275 62.300 -0.330 0.000 0.999 458 V CB -0.504 31.152 31.823 -0.279 0.000 0.635 458 V HN 0.214 nan 8.190 nan 0.000 0.450 459 V N -0.190 119.575 119.914 -0.248 0.000 2.511 459 V HA -0.354 3.756 4.120 -0.016 0.000 0.257 459 V C 2.486 178.445 176.094 -0.225 0.000 1.088 459 V CA 2.343 64.518 62.300 -0.209 0.000 1.098 459 V CB -1.025 30.707 31.823 -0.151 0.000 0.674 459 V HN 0.466 nan 8.190 nan 0.000 0.470 460 R N -0.521 119.832 120.500 -0.245 0.000 2.057 460 R HA -0.150 4.180 4.340 -0.016 0.000 0.229 460 R C 2.501 178.601 176.300 -0.334 0.000 1.136 460 R CA 1.583 57.541 56.100 -0.235 0.000 0.952 460 R CB -0.401 29.776 30.300 -0.206 0.000 0.848 460 R HN 0.564 nan 8.270 nan 0.000 0.430 461 Q N 0.566 120.084 119.800 -0.470 0.000 2.181 461 Q HA -0.190 4.140 4.340 -0.016 0.000 0.205 461 Q C 1.771 177.193 176.000 -0.963 0.000 0.980 461 Q CA 1.285 56.606 55.803 -0.804 0.000 0.862 461 Q CB 0.074 28.246 28.738 -0.944 0.000 0.905 461 Q HN 0.155 nan 8.270 nan 0.000 0.429 462 L N 0.735 121.598 121.223 -0.600 0.000 2.141 462 L HA -0.110 4.220 4.340 -0.016 0.000 0.209 462 L C 1.943 178.682 176.870 -0.219 0.000 1.094 462 L CA 1.668 56.284 54.840 -0.373 0.000 0.763 462 L CB -0.290 41.620 42.059 -0.248 0.000 0.908 462 L HN 0.224 nan 8.230 nan 0.000 0.437 463 E N -0.814 119.252 120.200 -0.224 0.000 2.046 463 E HA -0.157 4.184 4.350 -0.016 0.000 0.190 463 E C 1.910 178.450 176.600 -0.100 0.000 0.982 463 E CA 1.127 57.448 56.400 -0.132 0.000 0.800 463 E CB -0.090 29.536 29.700 -0.125 0.000 0.756 463 E HN 0.594 nan 8.360 nan 0.000 0.449 464 N N 0.082 118.675 118.700 -0.178 0.000 2.069 464 N HA -0.180 4.551 4.740 -0.016 0.000 0.191 464 N C 1.207 176.756 175.510 0.065 0.000 1.031 464 N CA 0.918 53.909 53.050 -0.099 0.000 0.852 464 N CB -0.127 38.235 38.487 -0.208 0.000 1.018 464 N HN 0.234 nan 8.380 nan 0.000 0.423 465 W N 0.628 121.766 121.300 -0.270 0.000 2.848 465 W HA 0.164 4.814 4.660 -0.016 0.000 0.241 465 W C 1.449 177.958 176.519 -0.016 0.000 1.289 465 W CA 0.791 57.967 57.345 -0.281 0.000 1.396 465 W CB -1.319 27.853 29.460 -0.479 0.000 1.138 465 W HN 0.194 nan 8.180 nan 0.000 0.677 466 G N -0.036 108.853 108.800 0.148 0.000 2.160 466 G HA2 -0.365 3.586 3.960 -0.016 0.000 0.251 466 G HA3 -0.365 3.586 3.960 -0.016 0.000 0.251 466 G C 0.985 175.893 174.900 0.012 0.000 1.008 466 G CA 0.660 45.797 45.100 0.063 0.000 0.724 466 G HN 0.323 nan 8.290 nan 0.000 0.514 467 M N -1.065 118.550 119.600 0.026 0.000 2.534 467 M HA 0.253 4.724 4.480 -0.016 0.000 0.263 467 M C 0.580 176.857 176.300 -0.039 0.000 1.152 467 M CA 0.902 56.199 55.300 -0.006 0.000 1.145 467 M CB 0.732 33.347 32.600 0.025 0.000 1.333 467 M HN 0.059 nan 8.290 nan 0.000 0.477 468 V N 1.281 121.164 119.914 -0.052 0.000 2.604 468 V HA 0.501 4.612 4.120 -0.016 0.000 0.305 468 V C -0.419 175.637 176.094 -0.063 0.000 1.043 468 V CA -1.172 61.085 62.300 -0.071 0.000 0.888 468 V CB 1.867 33.633 31.823 -0.095 0.000 0.995 468 V HN 0.066 nan 8.190 nan 0.000 0.429 469 V N 0.734 120.611 119.914 -0.062 0.000 2.628 469 V HA 0.667 4.778 4.120 -0.016 0.000 0.306 469 V C -0.274 175.790 176.094 -0.050 0.000 1.045 469 V CA -0.621 61.651 62.300 -0.048 0.000 0.905 469 V CB 1.874 33.675 31.823 -0.036 0.000 0.997 469 V HN 0.976 nan 8.190 nan 0.000 0.436 470 E N 3.219 123.398 120.200 -0.035 0.000 2.103 470 E HA 0.604 4.945 4.350 -0.016 0.000 0.254 470 E C 0.063 176.663 176.600 0.001 0.000 0.940 470 E CA -0.461 55.926 56.400 -0.021 0.000 0.771 470 E CB 1.051 30.737 29.700 -0.024 0.000 1.153 470 E HN 1.042 nan 8.360 nan 0.000 0.428 471 A N 3.562 126.393 122.820 0.017 0.000 3.264 471 A HA 0.524 4.835 4.320 -0.016 0.000 0.299 471 A C 1.015 178.639 177.584 0.067 0.000 1.272 471 A CA 0.314 52.372 52.037 0.036 0.000 1.030 471 A CB -0.311 18.712 19.000 0.038 0.000 1.102 471 A HN 0.923 nan 8.150 nan 0.000 0.615 472 A N -0.459 122.394 122.820 0.054 0.000 2.979 472 A HA -0.228 4.083 4.320 -0.016 0.000 0.260 472 A C 0.266 177.920 177.584 0.115 0.000 1.282 472 A CA 1.826 53.896 52.037 0.056 0.000 0.971 472 A CB -2.504 16.517 19.000 0.034 0.000 1.124 472 A HN 1.508 nan 8.150 nan 0.000 0.826 473 H N -1.912 117.152 119.070 -0.010 0.000 3.129 473 H HA 0.526 5.072 4.556 -0.016 0.000 0.342 473 H C -0.862 174.458 175.328 -0.013 0.000 1.092 473 H CA -0.885 55.158 56.048 -0.008 0.000 1.310 473 H CB 0.786 30.544 29.762 -0.006 0.000 1.932 473 H HN 0.295 nan 8.280 nan 0.000 0.507 474 L N 3.894 125.062 121.223 -0.093 0.000 2.331 474 L HA 0.599 4.930 4.340 -0.016 0.000 0.278 474 L C 0.089 176.767 176.870 -0.320 0.000 1.106 474 L CA -0.047 54.695 54.840 -0.162 0.000 0.824 474 L CB 1.034 43.039 42.059 -0.090 0.000 1.142 474 L HN 0.653 nan 8.230 nan 0.000 0.443 475 A N 6.044 128.735 122.820 -0.214 0.000 2.594 475 A HA 0.896 5.207 4.320 -0.016 0.000 0.291 475 A C -2.801 174.714 177.584 -0.115 0.000 1.105 475 A CA -1.234 50.684 52.037 -0.197 0.000 0.694 475 A CB 2.168 21.052 19.000 -0.194 0.000 1.291 475 A HN 0.422 nan 8.150 nan 0.000 0.410 476 P HA 0.431 nan 4.420 nan 0.000 0.282 476 P C -0.193 177.076 177.300 -0.050 0.000 1.259 476 P CA 0.025 63.085 63.100 -0.066 0.000 0.826 476 P CB 1.521 33.187 31.700 -0.057 0.000 1.064 477 T N -1.307 113.222 114.554 -0.042 0.000 2.912 477 T HA 0.310 4.650 4.350 -0.016 0.000 0.280 477 T C 1.269 175.953 174.700 -0.026 0.000 0.989 477 T CA -0.540 61.541 62.100 -0.032 0.000 0.995 477 T CB 0.771 69.619 68.868 -0.032 0.000 1.077 477 T HN 0.104 nan 8.240 nan 0.000 0.531 478 K N 0.307 120.697 120.400 -0.017 0.000 2.074 478 K HA -0.060 4.251 4.320 -0.016 0.000 0.209 478 K C 1.916 178.509 176.600 -0.011 0.000 1.048 478 K CA 1.343 57.626 56.287 -0.008 0.000 0.926 478 K CB -1.014 31.488 32.500 0.004 0.000 0.713 478 K HN 0.473 nan 8.250 nan 0.000 0.444 479 L N 0.814 122.020 121.223 -0.028 0.000 1.989 479 L HA -0.060 4.270 4.340 -0.016 0.000 0.211 479 L C 2.154 179.004 176.870 -0.033 0.000 1.071 479 L CA 2.480 57.294 54.840 -0.044 0.000 0.749 479 L CB -1.289 40.692 42.059 -0.130 0.000 0.890 479 L HN 0.253 nan 8.230 nan 0.000 0.431 480 G N -1.254 107.523 108.800 -0.038 0.000 2.476 480 G HA2 -0.300 3.651 3.960 -0.016 0.000 0.218 480 G HA3 -0.300 3.651 3.960 -0.016 0.000 0.218 480 G C 1.533 176.409 174.900 -0.040 0.000 1.164 480 G CA 1.084 46.160 45.100 -0.039 0.000 0.768 480 G HN 0.535 nan 8.290 nan 0.000 0.560 481 S N 0.288 115.971 115.700 -0.029 0.000 2.383 481 S HA -0.113 4.348 4.470 -0.016 0.000 0.229 481 S C 2.138 176.735 174.600 -0.005 0.000 1.030 481 S CA 1.176 59.365 58.200 -0.018 0.000 1.002 481 S CB -0.257 62.938 63.200 -0.009 0.000 0.829 481 S HN 0.264 nan 8.310 nan 0.000 0.467 482 L N 2.008 123.231 121.223 0.000 0.000 1.988 482 L HA -0.020 4.311 4.340 -0.016 0.000 0.207 482 L C 2.232 179.109 176.870 0.012 0.000 1.071 482 L CA 1.537 56.388 54.840 0.018 0.000 0.744 482 L CB -0.792 41.281 42.059 0.024 0.000 0.893 482 L HN 0.134 nan 8.230 nan 0.000 0.433 483 V N -0.919 118.989 119.914 -0.009 0.000 2.380 483 V HA -0.330 3.781 4.120 -0.016 0.000 0.251 483 V C 2.748 178.791 176.094 -0.084 0.000 1.063 483 V CA 1.892 64.170 62.300 -0.036 0.000 1.055 483 V CB -1.231 30.562 31.823 -0.051 0.000 0.657 483 V HN 0.627 nan 8.190 nan 0.000 0.455 484 S N -0.299 115.350 115.700 -0.086 0.000 2.343 484 S HA -0.214 4.246 4.470 -0.016 0.000 0.219 484 S C 2.203 176.791 174.600 -0.021 0.000 1.033 484 S CA 1.675 59.808 58.200 -0.111 0.000 1.014 484 S CB -0.256 62.900 63.200 -0.074 0.000 0.915 484 S HN 0.548 nan 8.310 nan 0.000 0.435 485 R N -0.157 120.363 120.500 0.032 0.000 2.152 485 R HA -0.002 4.329 4.340 -0.016 0.000 0.232 485 R C 1.941 178.328 176.300 0.145 0.000 1.117 485 R CA 1.112 57.267 56.100 0.090 0.000 0.981 485 R CB -0.341 30.008 30.300 0.081 0.000 0.870 485 R HN 0.339 nan 8.270 nan 0.000 0.451 486 L N -1.159 120.140 121.223 0.128 0.000 2.376 486 L HA -0.076 4.254 4.340 -0.016 0.000 0.219 486 L C 0.331 177.383 176.870 0.304 0.000 1.133 486 L CA 0.851 55.814 54.840 0.204 0.000 0.816 486 L CB -0.560 41.577 42.059 0.128 0.000 0.933 486 L HN 0.202 nan 8.230 nan 0.000 0.449 487 Y N -0.211 120.095 120.300 0.010 0.000 3.477 487 Y HA -0.251 4.289 4.550 -0.016 0.000 0.216 487 Y C 0.246 176.294 175.900 0.246 0.000 1.296 487 Y CA -0.038 58.050 58.100 -0.020 0.000 1.535 487 Y CB -1.202 37.043 38.460 -0.358 0.000 1.482 487 Y HN 0.215 nan 8.280 nan 0.000 0.597 488 I N -2.638 117.979 120.570 0.078 0.000 2.910 488 I HA 0.533 4.693 4.170 -0.016 0.000 0.310 488 I C 0.299 176.409 176.117 -0.011 0.000 1.043 488 I CA -1.263 60.115 61.300 0.130 0.000 1.053 488 I CB 1.470 39.436 38.000 -0.057 0.000 1.242 488 I HN -0.004 nan 8.210 nan 0.000 0.452 489 D N 5.107 125.577 120.400 0.116 0.000 2.458 489 D HA 0.103 4.733 4.640 -0.016 0.000 0.243 489 D C -1.506 174.773 176.300 -0.035 0.000 1.146 489 D CA -1.981 52.089 54.000 0.116 0.000 0.877 489 D CB 1.356 42.249 40.800 0.155 0.000 1.176 489 D HN 0.380 nan 8.370 nan 0.000 0.461 490 P HA -0.169 nan 4.420 nan 0.000 0.221 490 P C 1.749 179.083 177.300 0.057 0.000 1.145 490 P CA 0.437 63.556 63.100 0.030 0.000 0.795 490 P CB 0.384 32.136 31.700 0.087 0.000 0.775 491 L N -0.358 120.906 121.223 0.069 0.000 2.056 491 L HA -0.103 4.228 4.340 -0.016 0.000 0.207 491 L C 2.101 178.790 176.870 -0.303 0.000 1.078 491 L CA 2.036 56.751 54.840 -0.208 0.000 0.749 491 L CB -1.307 40.763 42.059 0.018 0.000 0.901 491 L HN 0.009 nan 8.230 nan 0.000 0.433 492 T N -0.012 114.390 114.554 -0.254 0.000 2.622 492 T HA -0.175 4.166 4.350 -0.016 0.000 0.266 492 T C 1.660 175.998 174.700 -0.603 0.000 1.047 492 T CA 1.624 63.430 62.100 -0.490 0.000 1.159 492 T CB -0.705 67.915 68.868 -0.412 0.000 0.863 492 T HN 0.620 nan 8.240 nan 0.000 0.422 493 G N 0.186 108.808 108.800 -0.297 0.000 2.475 493 G HA2 -0.228 3.722 3.960 -0.016 0.000 0.220 493 G HA3 -0.228 3.722 3.960 -0.016 0.000 0.220 493 G C 1.349 176.202 174.900 -0.078 0.000 1.125 493 G CA 0.688 45.724 45.100 -0.107 0.000 0.755 493 G HN 0.456 nan 8.290 nan 0.000 0.565 494 F N 1.380 121.100 119.950 -0.383 0.000 2.074 494 F HA 0.097 4.615 4.527 -0.016 0.000 0.293 494 F C 2.612 178.213 175.800 -0.333 0.000 1.116 494 F CA 0.818 58.541 58.000 -0.462 0.000 1.212 494 F CB -0.427 37.902 39.000 -1.118 0.000 0.998 494 F HN 0.088 nan 8.300 nan 0.000 0.471 495 I N -0.439 119.869 120.570 -0.436 0.000 2.181 495 I HA -0.395 3.765 4.170 -0.016 0.000 0.247 495 I C 2.228 178.212 176.117 -0.222 0.000 1.081 495 I CA 1.319 62.388 61.300 -0.385 0.000 1.340 495 I CB -0.732 37.056 38.000 -0.353 0.000 1.036 495 I HN 0.095 nan 8.210 nan 0.000 0.417 496 F N 0.417 120.241 119.950 -0.210 0.000 2.009 496 F HA -0.182 4.336 4.527 -0.016 0.000 0.293 496 F C 2.755 178.440 175.800 -0.192 0.000 1.156 496 F CA 1.815 59.717 58.000 -0.163 0.000 1.168 496 F CB -1.637 37.294 39.000 -0.114 0.000 0.981 496 F HN 0.078 nan 8.300 nan 0.000 0.475 497 H N -0.385 118.669 119.070 -0.025 0.000 2.431 497 H HA -0.212 4.334 4.556 -0.016 0.000 0.297 497 H C 1.856 177.033 175.328 -0.252 0.000 1.115 497 H CA 2.229 58.203 56.048 -0.122 0.000 1.277 497 H CB -0.321 29.381 29.762 -0.099 0.000 1.372 497 H HN 0.296 nan 8.280 nan 0.000 0.516 498 D N -0.958 119.169 120.400 -0.456 0.000 2.087 498 D HA -0.128 4.502 4.640 -0.016 0.000 0.201 498 D C 2.387 178.497 176.300 -0.317 0.000 0.980 498 D CA 1.768 55.450 54.000 -0.529 0.000 0.849 498 D CB -0.373 39.895 40.800 -0.887 0.000 1.001 498 D HN 0.220 nan 8.370 nan 0.000 0.452 499 V N 0.910 120.687 119.914 -0.228 0.000 2.278 499 V HA -0.283 3.828 4.120 -0.016 0.000 0.251 499 V C 2.711 178.742 176.094 -0.105 0.000 1.062 499 V CA 1.629 63.865 62.300 -0.106 0.000 1.038 499 V CB -0.712 31.100 31.823 -0.019 0.000 0.646 499 V HN 0.312 nan 8.190 nan 0.000 0.447 500 L N 0.870 122.018 121.223 -0.124 0.000 1.961 500 L HA -0.187 4.143 4.340 -0.016 0.000 0.210 500 L C 2.770 179.539 176.870 -0.169 0.000 1.072 500 L CA 2.135 56.896 54.840 -0.131 0.000 0.749 500 L CB -1.053 40.925 42.059 -0.136 0.000 0.889 500 L HN 0.573 nan 8.230 nan 0.000 0.432 501 S N -0.477 115.055 115.700 -0.280 0.000 2.461 501 S HA -0.207 4.253 4.470 -0.016 0.000 0.246 501 S C 1.926 176.429 174.600 -0.161 0.000 1.007 501 S CA 1.108 59.145 58.200 -0.272 0.000 0.976 501 S CB -0.336 62.582 63.200 -0.470 0.000 0.763 501 S HN 0.401 nan 8.310 nan 0.000 0.508 502 R N 0.130 120.548 120.500 -0.136 0.000 2.121 502 R HA 0.363 4.693 4.340 -0.016 0.000 0.206 502 R C 1.515 177.782 176.300 -0.055 0.000 1.094 502 R CA 1.080 57.131 56.100 -0.082 0.000 1.055 502 R CB -0.057 30.201 30.300 -0.070 0.000 0.964 502 R HN 0.601 nan 8.270 nan 0.000 0.473 503 M N -0.102 119.468 119.600 -0.051 0.000 2.532 503 M HA 0.420 4.890 4.480 -0.016 0.000 0.257 503 M C -1.248 175.030 176.300 -0.037 0.000 0.941 503 M CA -0.523 54.758 55.300 -0.032 0.000 1.206 503 M CB 1.528 34.121 32.600 -0.011 0.000 1.472 503 M HN -0.101 nan 8.290 nan 0.000 0.665 504 E N 1.192 121.376 120.200 -0.026 0.000 2.639 504 E HA 0.436 4.777 4.350 -0.016 0.000 0.378 504 E C -1.550 175.037 176.600 -0.021 0.000 1.002 504 E CA -0.656 55.726 56.400 -0.031 0.000 0.747 504 E CB 0.090 29.769 29.700 -0.036 0.000 1.571 504 E HN 0.746 nan 8.360 nan 0.000 0.382 505 L N 1.025 122.239 121.223 -0.014 0.000 2.468 505 L HA 0.562 4.892 4.340 -0.016 0.000 0.253 505 L C 0.777 177.640 176.870 -0.012 0.000 1.237 505 L CA -0.579 54.259 54.840 -0.004 0.000 0.823 505 L CB 0.132 42.202 42.059 0.020 0.000 1.124 505 L HN 0.607 nan 8.230 nan 0.000 0.504 506 S N -1.813 113.883 115.700 -0.006 0.000 2.718 506 S HA 0.318 4.779 4.470 -0.016 0.000 0.292 506 S C 0.391 174.989 174.600 -0.004 0.000 1.125 506 S CA -0.608 57.586 58.200 -0.011 0.000 1.013 506 S CB 1.148 64.340 63.200 -0.014 0.000 1.192 506 S HN 0.663 nan 8.310 nan 0.000 0.535 507 D N 0.801 121.198 120.400 -0.006 0.000 2.212 507 D HA -0.128 4.502 4.640 -0.016 0.000 0.197 507 D C 1.916 178.226 176.300 0.017 0.000 1.004 507 D CA 1.241 55.242 54.000 0.002 0.000 0.864 507 D CB -0.429 40.371 40.800 -0.000 0.000 1.027 507 D HN 0.361 nan 8.370 nan 0.000 0.455 508 I N 1.122 121.704 120.570 0.020 0.000 2.248 508 I HA -0.198 3.963 4.170 -0.016 0.000 0.248 508 I C 2.373 178.527 176.117 0.062 0.000 1.107 508 I CA 1.509 62.830 61.300 0.035 0.000 1.373 508 I CB -1.316 36.694 38.000 0.016 0.000 1.055 508 I HN 0.049 nan 8.210 nan 0.000 0.418 509 G N -0.145 108.682 108.800 0.045 0.000 2.422 509 G HA2 -0.194 3.757 3.960 -0.016 0.000 0.218 509 G HA3 -0.194 3.757 3.960 -0.016 0.000 0.218 509 G C 1.758 176.720 174.900 0.103 0.000 1.146 509 G CA 0.891 46.037 45.100 0.076 0.000 0.769 509 G HN 0.530 nan 8.290 nan 0.000 0.547 510 A N 0.240 123.090 122.820 0.051 0.000 1.935 510 A HA 0.310 4.620 4.320 -0.016 0.000 0.214 510 A C 2.385 179.988 177.584 0.031 0.000 1.178 510 A CA 0.638 52.687 52.037 0.021 0.000 0.640 510 A CB -0.246 18.739 19.000 -0.025 0.000 0.825 510 A HN 0.308 nan 8.150 nan 0.000 0.447 511 L N -1.081 120.169 121.223 0.045 0.000 2.046 511 L HA -0.222 4.109 4.340 -0.016 0.000 0.208 511 L C 2.669 179.575 176.870 0.059 0.000 1.077 511 L CA 1.947 56.813 54.840 0.043 0.000 0.747 511 L CB -0.791 41.296 42.059 0.047 0.000 0.896 511 L HN 0.649 nan 8.230 nan 0.000 0.432 512 H N 0.302 119.376 119.070 0.007 0.000 2.319 512 H HA -0.229 4.317 4.556 -0.016 0.000 0.299 512 H C 1.987 177.359 175.328 0.073 0.000 1.092 512 H CA 1.864 57.915 56.048 0.005 0.000 1.302 512 H CB -0.147 29.606 29.762 -0.015 0.000 1.373 512 H HN 0.113 nan 8.280 nan 0.000 0.497 513 L N 0.338 121.539 121.223 -0.035 0.000 2.013 513 L HA -0.155 4.175 4.340 -0.016 0.000 0.212 513 L C 2.304 179.230 176.870 0.094 0.000 1.073 513 L CA 1.746 56.596 54.840 0.018 0.000 0.753 513 L CB -0.894 41.246 42.059 0.135 0.000 0.890 513 L HN 0.481 nan 8.230 nan 0.000 0.432 514 I N -1.184 119.469 120.570 0.137 0.000 2.127 514 I HA -0.404 3.756 4.170 -0.016 0.000 0.241 514 I C 2.327 178.465 176.117 0.034 0.000 1.075 514 I CA 1.696 63.109 61.300 0.189 0.000 1.334 514 I CB -0.496 37.560 38.000 0.094 0.000 1.040 514 I HN 0.346 nan 8.210 nan 0.000 0.405 515 C N 0.499 119.767 119.300 -0.052 0.000 2.460 515 C HA -0.070 4.381 4.460 -0.016 0.000 0.291 515 C C 2.650 177.574 174.990 -0.111 0.000 1.493 515 C CA 0.500 59.453 59.018 -0.107 0.000 1.748 515 C CB -1.848 25.815 27.740 -0.127 0.000 1.656 515 C HN 0.390 nan 8.230 nan 0.000 0.576 516 R N -0.498 119.955 120.500 -0.078 0.000 2.140 516 R HA 0.001 4.331 4.340 -0.016 0.000 0.213 516 R C 1.207 177.593 176.300 0.143 0.000 1.059 516 R CA 0.372 56.530 56.100 0.096 0.000 1.000 516 R CB -0.341 29.993 30.300 0.055 0.000 0.910 516 R HN 0.332 nan 8.270 nan 0.000 0.455 517 T N 2.411 116.952 114.554 -0.022 0.000 2.939 517 T HA -0.010 4.330 4.350 -0.016 0.000 0.319 517 T C -1.534 173.188 174.700 0.037 0.000 1.082 517 T CA -1.033 61.000 62.100 -0.112 0.000 1.133 517 T CB 1.102 69.801 68.868 -0.283 0.000 1.019 517 T HN 0.123 nan 8.240 nan 0.000 0.548 518 P HA 0.017 nan 4.420 nan 0.000 0.222 518 P C 0.629 177.994 177.300 0.108 0.000 1.153 518 P CA 0.727 63.912 63.100 0.141 0.000 0.798 518 P CB 0.320 32.088 31.700 0.113 0.000 0.796 519 D N -0.661 119.776 120.400 0.062 0.000 2.312 519 D HA -0.005 4.626 4.640 -0.016 0.000 0.211 519 D C 1.102 177.503 176.300 0.169 0.000 0.964 519 D CA 0.669 54.753 54.000 0.141 0.000 0.877 519 D CB -0.364 40.477 40.800 0.069 0.000 0.924 519 D HN 0.207 nan 8.370 nan 0.000 0.515 520 M N 0.842 120.489 119.600 0.077 0.000 2.288 520 M HA 0.155 4.625 4.480 -0.016 0.000 0.334 520 M C -0.050 176.265 176.300 0.025 0.000 1.150 520 M CA -0.532 54.806 55.300 0.063 0.000 1.118 520 M CB 1.223 33.827 32.600 0.007 0.000 1.501 520 M HN -0.216 nan 8.290 nan 0.000 0.462 521 E N 2.773 122.981 120.200 0.013 0.000 2.283 521 E HA 0.469 4.809 4.350 -0.016 0.000 0.271 521 E C -1.022 175.522 176.600 -0.093 0.000 1.031 521 E CA -0.412 55.970 56.400 -0.030 0.000 0.868 521 E CB 0.930 30.620 29.700 -0.018 0.000 1.094 521 E HN 0.737 nan 8.360 nan 0.000 0.401 522 R N 2.042 122.463 120.500 -0.133 0.000 2.912 522 R HA 0.454 4.784 4.340 -0.016 0.000 0.262 522 R C -1.097 175.119 176.300 -0.140 0.000 1.057 522 R CA -0.854 55.138 56.100 -0.180 0.000 0.981 522 R CB 1.011 31.127 30.300 -0.306 0.000 1.201 522 R HN 0.364 nan 8.270 nan 0.000 0.484 523 L N -0.213 120.932 121.223 -0.131 0.000 2.387 523 L HA 0.454 4.785 4.340 -0.016 0.000 0.266 523 L C 0.288 177.108 176.870 -0.083 0.000 1.059 523 L CA -0.152 54.640 54.840 -0.080 0.000 0.801 523 L CB 1.622 43.660 42.059 -0.034 0.000 1.223 523 L HN 0.540 nan 8.230 nan 0.000 0.456 524 T N 0.547 115.072 114.554 -0.048 0.000 2.882 524 T HA 0.463 4.803 4.350 -0.016 0.000 0.287 524 T C -0.403 174.270 174.700 -0.046 0.000 0.992 524 T CA -0.414 61.657 62.100 -0.048 0.000 1.076 524 T CB 1.062 69.914 68.868 -0.027 0.000 0.961 524 T HN 0.239 nan 8.240 nan 0.000 0.490 525 V N 4.888 124.763 119.914 -0.065 0.000 2.348 525 V HA 0.372 4.482 4.120 -0.016 0.000 0.270 525 V C 0.550 176.599 176.094 -0.075 0.000 1.037 525 V CA -0.768 61.475 62.300 -0.094 0.000 0.872 525 V CB 0.598 32.354 31.823 -0.112 0.000 1.002 525 V HN 0.650 nan 8.190 nan 0.000 0.464 526 R N 2.777 123.227 120.500 -0.083 0.000 2.577 526 R HA 0.294 4.624 4.340 -0.016 0.000 0.269 526 R C 1.327 177.586 176.300 -0.068 0.000 1.084 526 R CA -0.547 55.520 56.100 -0.054 0.000 1.163 526 R CB 0.275 30.557 30.300 -0.030 0.000 1.100 526 R HN 0.545 nan 8.270 nan 0.000 0.547 527 K N 0.003 120.383 120.400 -0.033 0.000 2.281 527 K HA -0.107 4.203 4.320 -0.016 0.000 0.203 527 K C 0.975 177.556 176.600 -0.031 0.000 1.046 527 K CA 2.032 58.305 56.287 -0.024 0.000 0.938 527 K CB -0.046 32.453 32.500 -0.003 0.000 0.737 527 K HN 0.786 nan 8.250 nan 0.000 0.458 528 T N -1.989 112.546 114.554 -0.033 0.000 3.035 528 T HA 0.023 4.363 4.350 -0.016 0.000 0.259 528 T C 0.308 174.968 174.700 -0.066 0.000 1.078 528 T CA 0.212 62.307 62.100 -0.008 0.000 1.132 528 T CB -0.141 68.751 68.868 0.039 0.000 0.900 528 T HN 0.017 nan 8.240 nan 0.000 0.480 529 D N 3.090 123.341 120.400 -0.248 0.000 2.745 529 D HA 0.144 4.774 4.640 -0.016 0.000 0.229 529 D C 1.469 177.396 176.300 -0.621 0.000 1.088 529 D CA 0.053 53.602 54.000 -0.752 0.000 1.054 529 D CB 0.098 40.427 40.800 -0.786 0.000 1.132 529 D HN 0.572 nan 8.370 nan 0.000 0.464 530 S N 0.033 115.569 115.700 -0.273 0.000 2.395 530 S HA -0.153 4.308 4.470 -0.016 0.000 0.225 530 S C 1.999 176.558 174.600 -0.068 0.000 1.027 530 S CA 0.070 58.206 58.200 -0.106 0.000 0.965 530 S CB -0.748 62.473 63.200 0.034 0.000 0.812 530 S HN 0.671 nan 8.310 nan 0.000 0.482 531 W N 3.196 124.510 121.300 0.023 0.000 2.321 531 W HA -0.142 4.508 4.660 -0.016 0.000 0.306 531 W C 1.492 178.037 176.519 0.044 0.000 1.217 531 W CA 1.007 58.369 57.345 0.028 0.000 1.257 531 W CB -1.282 28.178 29.460 0.001 0.000 1.145 531 W HN 0.098 nan 8.180 nan 0.000 0.509 532 V N 1.504 120.995 119.914 -0.706 0.000 2.250 532 V HA -0.435 3.675 4.120 -0.016 0.000 0.253 532 V C 2.565 178.617 176.094 -0.069 0.000 1.065 532 V CA 2.707 64.779 62.300 -0.381 0.000 1.039 532 V CB -1.492 30.012 31.823 -0.532 0.000 0.647 532 V HN 0.457 nan 8.190 nan 0.000 0.446 533 E N -0.041 120.131 120.200 -0.046 0.000 2.077 533 E HA -0.255 4.085 4.350 -0.016 0.000 0.193 533 E C 2.166 178.891 176.600 0.208 0.000 0.989 533 E CA 1.691 58.155 56.400 0.107 0.000 0.800 533 E CB -0.059 29.732 29.700 0.152 0.000 0.746 533 E HN 0.802 nan 8.360 nan 0.000 0.452 534 E N 0.307 120.616 120.200 0.183 0.000 2.015 534 E HA -0.233 4.107 4.350 -0.016 0.000 0.191 534 E C 2.131 178.892 176.600 0.269 0.000 0.991 534 E CA 1.252 57.789 56.400 0.228 0.000 0.802 534 E CB -0.189 29.629 29.700 0.197 0.000 0.759 534 E HN 0.134 nan 8.360 nan 0.000 0.447 535 E N 1.241 121.584 120.200 0.238 0.000 2.130 535 E HA -0.230 4.110 4.350 -0.016 0.000 0.196 535 E C 1.861 178.557 176.600 0.160 0.000 0.998 535 E CA 1.529 58.052 56.400 0.204 0.000 0.806 535 E CB -0.283 29.583 29.700 0.277 0.000 0.738 535 E HN 0.284 nan 8.360 nan 0.000 0.459 536 A N -0.439 122.492 122.820 0.184 0.000 1.972 536 A HA -0.114 4.196 4.320 -0.016 0.000 0.219 536 A C 2.114 179.868 177.584 0.284 0.000 1.169 536 A CA 1.353 53.510 52.037 0.199 0.000 0.635 536 A CB -0.807 18.337 19.000 0.240 0.000 0.810 536 A HN 0.452 nan 8.150 nan 0.000 0.446 537 F N 0.513 120.560 119.950 0.162 0.000 2.053 537 F HA -0.067 4.451 4.527 -0.016 0.000 0.292 537 F C 2.324 178.084 175.800 -0.066 0.000 1.125 537 F CA 1.767 59.809 58.000 0.071 0.000 1.193 537 F CB -0.594 38.486 39.000 0.133 0.000 0.996 537 F HN 0.205 nan 8.300 nan 0.000 0.470 538 R N 0.641 121.104 120.500 -0.061 0.000 2.134 538 R HA -0.218 4.113 4.340 -0.016 0.000 0.248 538 R C 2.175 178.337 176.300 -0.230 0.000 1.143 538 R CA 2.366 58.354 56.100 -0.187 0.000 0.957 538 R CB -0.846 29.451 30.300 -0.005 0.000 0.867 538 R HN 0.464 nan 8.270 nan 0.000 0.441 539 L N 1.589 122.730 121.223 -0.137 0.000 2.551 539 L HA -0.033 4.297 4.340 -0.016 0.000 0.228 539 L C 1.238 177.973 176.870 -0.225 0.000 1.153 539 L CA 0.172 54.927 54.840 -0.141 0.000 0.851 539 L CB -0.491 41.522 42.059 -0.076 0.000 0.959 539 L HN 0.300 nan 8.230 nan 0.000 0.451 540 R N 0.270 120.544 120.500 -0.377 0.000 2.971 540 R HA -0.115 4.216 4.340 -0.016 0.000 0.278 540 R C 0.880 176.952 176.300 -0.379 0.000 1.022 540 R CA 0.061 55.819 56.100 -0.570 0.000 1.187 540 R CB 0.122 29.770 30.300 -1.085 0.000 1.126 540 R HN -0.168 nan 8.270 nan 0.000 0.510 541 K N -1.253 118.960 120.400 -0.312 0.000 3.606 541 K HA -0.280 4.030 4.320 -0.016 0.000 0.279 541 K C 0.994 177.521 176.600 -0.121 0.000 1.137 541 K CA 2.233 58.409 56.287 -0.186 0.000 1.058 541 K CB -1.272 31.109 32.500 -0.199 0.000 1.343 541 K HN 0.830 nan 8.250 nan 0.000 0.462 542 E N -0.468 119.654 120.200 -0.129 0.000 2.290 542 E HA 0.220 4.561 4.350 -0.016 0.000 0.197 542 E C -0.064 176.515 176.600 -0.036 0.000 0.948 542 E CA 0.178 56.532 56.400 -0.076 0.000 0.895 542 E CB 0.334 29.985 29.700 -0.082 0.000 0.865 542 E HN 0.289 nan 8.360 nan 0.000 0.486 543 L N 1.257 122.445 121.223 -0.057 0.000 2.464 543 L HA 0.105 4.435 4.340 -0.016 0.000 0.264 543 L C 1.460 178.403 176.870 0.122 0.000 1.199 543 L CA -0.176 54.665 54.840 0.003 0.000 0.818 543 L CB 0.991 42.929 42.059 -0.201 0.000 1.102 543 L HN 0.080 nan 8.230 nan 0.000 0.473 544 S N 0.213 116.079 115.700 0.277 0.000 2.547 544 S HA -0.050 4.411 4.470 -0.016 0.000 0.235 544 S C -0.070 174.751 174.600 0.368 0.000 0.980 544 S CA 0.420 58.787 58.200 0.278 0.000 0.941 544 S CB -0.607 62.769 63.200 0.293 0.000 0.763 544 S HN 0.673 nan 8.310 nan 0.000 0.532 545 Y N -2.877 117.581 120.300 0.263 0.000 2.732 545 Y HA 0.641 5.182 4.550 -0.016 0.000 0.342 545 Y C -2.036 174.038 175.900 0.290 0.000 1.203 545 Y CA -2.119 56.116 58.100 0.225 0.000 1.092 545 Y CB 0.494 39.068 38.460 0.190 0.000 1.345 545 Y HN -0.060 nan 8.280 nan 0.000 0.458 546 Y N 3.539 123.798 120.300 -0.068 0.000 2.301 546 Y HA 0.681 5.222 4.550 -0.016 0.000 0.325 546 Y C -2.886 172.893 175.900 -0.201 0.000 1.103 546 Y CA -2.690 55.200 58.100 -0.349 0.000 1.182 546 Y CB 1.651 40.007 38.460 -0.174 0.000 1.139 546 Y HN 0.655 nan 8.280 nan 0.000 0.443 547 P HA 0.249 nan 4.420 nan 0.000 0.274 547 P C -0.559 176.476 177.300 -0.441 0.000 1.256 547 P CA -0.522 62.349 63.100 -0.383 0.000 0.795 547 P CB 0.862 32.403 31.700 -0.265 0.000 1.038 548 S N -0.366 115.182 115.700 -0.253 0.000 2.562 548 S HA -0.003 4.457 4.470 -0.016 0.000 0.281 548 S C 1.144 175.405 174.600 -0.565 0.000 1.333 548 S CA -0.142 57.842 58.200 -0.359 0.000 1.052 548 S CB -0.124 62.917 63.200 -0.264 0.000 0.884 548 S HN 0.479 nan 8.310 nan 0.000 0.506 549 D N 2.030 121.919 120.400 -0.851 0.000 2.190 549 D HA -0.150 4.481 4.640 -0.016 0.000 0.200 549 D C 0.548 176.182 176.300 -1.110 0.000 0.992 549 D CA 1.603 54.893 54.000 -1.183 0.000 0.854 549 D CB -0.076 40.173 40.800 -0.918 0.000 0.936 549 D HN 0.689 nan 8.370 nan 0.000 0.462 550 F N -1.299 118.416 119.950 -0.391 0.000 2.761 550 F HA 0.480 4.998 4.527 -0.016 0.000 0.367 550 F C 0.046 175.778 175.800 -0.113 0.000 1.386 550 F CA -1.109 56.749 58.000 -0.237 0.000 1.177 550 F CB -0.160 38.742 39.000 -0.163 0.000 1.092 550 F HN -0.251 nan 8.300 nan 0.000 0.517 551 S N 0.077 115.799 115.700 0.037 0.000 2.652 551 S HA 0.400 4.860 4.470 -0.016 0.000 0.270 551 S C 1.253 175.930 174.600 0.128 0.000 1.243 551 S CA -0.464 57.786 58.200 0.085 0.000 0.999 551 S CB 1.590 64.808 63.200 0.031 0.000 0.973 551 S HN 0.198 nan 8.310 nan 0.000 0.544 552 V N 2.815 122.792 119.914 0.105 0.000 2.515 552 V HA -0.047 4.064 4.120 -0.016 0.000 0.250 552 V C 1.699 177.884 176.094 0.152 0.000 1.058 552 V CA 1.705 64.072 62.300 0.111 0.000 1.064 552 V CB -0.882 30.981 31.823 0.067 0.000 0.675 552 V HN 0.785 nan 8.190 nan 0.000 0.461 553 E N -1.192 119.101 120.200 0.154 0.000 2.494 553 E HA -0.010 4.330 4.350 -0.016 0.000 0.193 553 E C 1.497 178.296 176.600 0.332 0.000 1.074 553 E CA -0.049 56.484 56.400 0.220 0.000 0.867 553 E CB -0.306 29.487 29.700 0.156 0.000 0.924 553 E HN 0.677 nan 8.360 nan 0.000 0.502 554 Y N 1.146 121.533 120.300 0.145 0.000 2.403 554 Y HA -0.197 4.343 4.550 -0.016 0.000 0.291 554 Y C 1.286 177.332 175.900 0.243 0.000 1.143 554 Y CA 1.376 59.565 58.100 0.148 0.000 1.257 554 Y CB 0.332 38.820 38.460 0.048 0.000 0.984 554 Y HN 0.094 nan 8.280 nan 0.000 0.550 555 D N -1.728 118.845 120.400 0.288 0.000 2.162 555 D HA -0.188 4.442 4.640 -0.016 0.000 0.205 555 D C 1.715 178.141 176.300 0.209 0.000 0.964 555 D CA 0.934 55.051 54.000 0.194 0.000 0.847 555 D CB -0.756 40.157 40.800 0.187 0.000 0.988 555 D HN 0.434 nan 8.370 nan 0.000 0.480 556 W N 0.962 122.331 121.300 0.114 0.000 2.374 556 W HA -0.177 4.473 4.660 -0.016 0.000 0.288 556 W C 2.068 178.675 176.519 0.146 0.000 1.218 556 W CA 0.886 58.298 57.345 0.112 0.000 1.245 556 W CB -0.370 29.165 29.460 0.126 0.000 1.126 556 W HN -0.131 nan 8.180 nan 0.000 0.545 557 F N 0.321 120.439 119.950 0.280 0.000 2.031 557 F HA -0.222 4.296 4.527 -0.016 0.000 0.295 557 F C 2.179 177.957 175.800 -0.037 0.000 1.133 557 F CA 2.055 60.147 58.000 0.153 0.000 1.188 557 F CB -1.008 37.984 39.000 -0.012 0.000 0.974 557 F HN -0.290 nan 8.300 nan 0.000 0.473 558 L N -0.418 120.713 121.223 -0.153 0.000 2.137 558 L HA -0.310 4.021 4.340 -0.016 0.000 0.213 558 L C 2.704 179.426 176.870 -0.247 0.000 1.085 558 L CA 1.756 56.425 54.840 -0.285 0.000 0.760 558 L CB -1.204 40.724 42.059 -0.218 0.000 0.893 558 L HN 0.327 nan 8.230 nan 0.000 0.434 559 S N -0.268 115.315 115.700 -0.195 0.000 2.355 559 S HA -0.197 4.263 4.470 -0.016 0.000 0.222 559 S C 1.780 176.242 174.600 -0.231 0.000 1.031 559 S CA 1.403 59.474 58.200 -0.214 0.000 0.993 559 S CB -0.040 62.991 63.200 -0.282 0.000 0.859 559 S HN 0.440 nan 8.310 nan 0.000 0.453 560 E N 0.030 120.079 120.200 -0.253 0.000 2.070 560 E HA -0.142 4.198 4.350 -0.016 0.000 0.197 560 E C 2.121 178.650 176.600 -0.118 0.000 1.004 560 E CA 1.657 57.947 56.400 -0.184 0.000 0.805 560 E CB -0.304 29.360 29.700 -0.061 0.000 0.744 560 E HN 0.360 nan 8.360 nan 0.000 0.451 561 V N 1.300 121.063 119.914 -0.253 0.000 2.223 561 V HA -0.317 3.793 4.120 -0.016 0.000 0.244 561 V C 2.409 178.462 176.094 -0.068 0.000 1.045 561 V CA 2.225 64.397 62.300 -0.213 0.000 1.000 561 V CB -0.516 31.073 31.823 -0.390 0.000 0.635 561 V HN 0.256 nan 8.190 nan 0.000 0.445 562 K N -0.409 119.952 120.400 -0.065 0.000 2.144 562 K HA -0.266 4.044 4.320 -0.016 0.000 0.209 562 K C 1.993 178.611 176.600 0.031 0.000 1.047 562 K CA 2.379 58.718 56.287 0.087 0.000 0.927 562 K CB -0.430 32.087 32.500 0.028 0.000 0.716 562 K HN 0.544 nan 8.250 nan 0.000 0.454 563 T N 0.217 114.724 114.554 -0.080 0.000 2.777 563 T HA -0.056 4.284 4.350 -0.016 0.000 0.266 563 T C 1.880 176.505 174.700 -0.126 0.000 1.040 563 T CA 1.244 63.258 62.100 -0.144 0.000 1.141 563 T CB -0.299 68.484 68.868 -0.141 0.000 0.868 563 T HN 0.459 nan 8.240 nan 0.000 0.444 564 A N 1.211 124.001 122.820 -0.050 0.000 1.930 564 A HA 0.085 4.396 4.320 -0.016 0.000 0.217 564 A C 2.281 179.873 177.584 0.013 0.000 1.175 564 A CA 0.956 52.991 52.037 -0.004 0.000 0.627 564 A CB -0.767 18.270 19.000 0.061 0.000 0.815 564 A HN 0.466 nan 8.150 nan 0.000 0.443 565 L N -0.972 120.282 121.223 0.053 0.000 2.046 565 L HA -0.238 4.092 4.340 -0.016 0.000 0.208 565 L C 2.814 179.735 176.870 0.085 0.000 1.077 565 L CA 1.334 56.266 54.840 0.154 0.000 0.747 565 L CB -0.899 41.375 42.059 0.357 0.000 0.896 565 L HN 0.648 nan 8.230 nan 0.000 0.432 566 C N 0.685 119.818 119.300 -0.278 0.000 2.413 566 C HA -0.173 4.277 4.460 -0.016 0.000 0.277 566 C C 2.800 177.695 174.990 -0.158 0.000 1.228 566 C CA 0.814 59.415 59.018 -0.695 0.000 1.731 566 C CB -0.827 26.261 27.740 -1.087 0.000 2.042 566 C HN 0.424 nan 8.230 nan 0.000 0.468 567 L N 0.902 122.073 121.223 -0.086 0.000 2.079 567 L HA -0.162 4.169 4.340 -0.016 0.000 0.210 567 L C 2.632 179.597 176.870 0.157 0.000 1.081 567 L CA 1.948 56.829 54.840 0.068 0.000 0.752 567 L CB -0.776 41.305 42.059 0.037 0.000 0.896 567 L HN 0.352 nan 8.230 nan 0.000 0.433 568 K N 0.724 121.180 120.400 0.092 0.000 1.991 568 K HA -0.207 4.103 4.320 -0.016 0.000 0.212 568 K C 1.683 178.342 176.600 0.098 0.000 1.049 568 K CA 1.978 58.318 56.287 0.088 0.000 0.932 568 K CB -0.369 32.178 32.500 0.078 0.000 0.717 568 K HN 0.167 nan 8.250 nan 0.000 0.441 569 D N -0.219 120.262 120.400 0.135 0.000 2.133 569 D HA -0.227 4.403 4.640 -0.016 0.000 0.195 569 D C 1.629 178.014 176.300 0.142 0.000 0.997 569 D CA 1.157 55.239 54.000 0.138 0.000 0.840 569 D CB -0.540 40.393 40.800 0.222 0.000 0.947 569 D HN 0.474 nan 8.370 nan 0.000 0.452 570 W N 0.998 122.304 121.300 0.010 0.000 2.335 570 W HA -0.229 4.422 4.660 -0.016 0.000 0.311 570 W C 1.734 178.256 176.519 0.004 0.000 1.213 570 W CA 0.541 57.889 57.345 0.004 0.000 1.274 570 W CB -0.375 29.075 29.460 -0.017 0.000 1.148 570 W HN -0.092 nan 8.180 nan 0.000 0.498 571 I N 1.599 122.133 120.570 -0.060 0.000 2.614 571 I HA -0.189 3.971 4.170 -0.016 0.000 0.258 571 I C 1.591 177.613 176.117 -0.158 0.000 1.189 571 I CA 1.449 62.651 61.300 -0.162 0.000 1.462 571 I CB -0.565 37.434 38.000 -0.002 0.000 1.092 571 I HN -0.154 nan 8.210 nan 0.000 0.442 572 E N 0.843 120.985 120.200 -0.097 0.000 2.394 572 E HA 0.045 4.386 4.350 -0.016 0.000 0.191 572 E C 0.270 176.804 176.600 -0.109 0.000 1.044 572 E CA 0.015 56.364 56.400 -0.085 0.000 0.939 572 E CB -0.373 29.307 29.700 -0.034 0.000 1.089 572 E HN 0.420 nan 8.360 nan 0.000 0.456 573 E N -0.186 119.903 120.200 -0.186 0.000 3.253 573 E HA -0.277 4.064 4.350 -0.016 0.000 0.284 573 E C 0.373 176.909 176.600 -0.107 0.000 0.958 573 E CA 0.768 57.051 56.400 -0.195 0.000 0.917 573 E CB -1.383 28.217 29.700 -0.167 0.000 1.466 573 E HN 0.179 nan 8.360 nan 0.000 0.455 574 K N 1.975 122.346 120.400 -0.048 0.000 2.518 574 K HA -0.039 4.271 4.320 -0.016 0.000 0.276 574 K C 0.098 176.719 176.600 0.035 0.000 0.974 574 K CA 0.143 56.434 56.287 0.008 0.000 0.986 574 K CB 0.495 33.027 32.500 0.054 0.000 0.901 574 K HN -0.031 nan 8.250 nan 0.000 0.497 575 D N 3.166 123.588 120.400 0.036 0.000 2.493 575 D HA -0.070 4.561 4.640 -0.016 0.000 0.240 575 D C 0.615 176.980 176.300 0.107 0.000 1.142 575 D CA 0.615 54.648 54.000 0.055 0.000 0.872 575 D CB 0.740 41.563 40.800 0.039 0.000 1.173 575 D HN 0.550 nan 8.370 nan 0.000 0.467 576 E N 2.686 122.972 120.200 0.143 0.000 2.021 576 E HA -0.229 4.111 4.350 -0.016 0.000 0.200 576 E C 1.282 177.963 176.600 0.136 0.000 1.015 576 E CA 1.570 58.083 56.400 0.189 0.000 0.824 576 E CB -0.059 29.760 29.700 0.199 0.000 0.762 576 E HN 0.640 nan 8.360 nan 0.000 0.454 577 D N 0.644 121.105 120.400 0.102 0.000 2.191 577 D HA -0.209 4.422 4.640 -0.016 0.000 0.195 577 D C 1.808 178.153 176.300 0.074 0.000 1.003 577 D CA 1.219 55.267 54.000 0.080 0.000 0.867 577 D CB -0.282 40.555 40.800 0.062 0.000 0.926 577 D HN 0.340 nan 8.370 nan 0.000 0.450 578 E N 0.269 120.511 120.200 0.070 0.000 2.047 578 E HA -0.095 4.245 4.350 -0.016 0.000 0.191 578 E C 2.517 179.165 176.600 0.080 0.000 0.987 578 E CA 0.338 56.768 56.400 0.050 0.000 0.799 578 E CB -0.040 29.679 29.700 0.033 0.000 0.752 578 E HN 0.296 nan 8.360 nan 0.000 0.449 579 I N 0.902 121.559 120.570 0.144 0.000 2.208 579 I HA -0.368 3.792 4.170 -0.016 0.000 0.245 579 I C 2.566 178.853 176.117 0.284 0.000 1.097 579 I CA 0.797 62.251 61.300 0.257 0.000 1.363 579 I CB -0.365 37.803 38.000 0.280 0.000 1.051 579 I HN 0.282 nan 8.210 nan 0.000 0.413 580 C N 0.666 120.075 119.300 0.182 0.000 2.413 580 C HA -0.205 4.246 4.460 -0.016 0.000 0.278 580 C C 3.225 178.291 174.990 0.127 0.000 1.224 580 C CA 1.112 60.219 59.018 0.149 0.000 1.732 580 C CB -1.291 26.509 27.740 0.099 0.000 2.050 580 C HN 0.629 nan 8.230 nan 0.000 0.463 581 A N 0.297 123.165 122.820 0.081 0.000 1.892 581 A HA -0.283 4.028 4.320 -0.016 0.000 0.218 581 A C 2.192 179.788 177.584 0.020 0.000 1.188 581 A CA 2.328 54.392 52.037 0.045 0.000 0.631 581 A CB -0.711 18.303 19.000 0.022 0.000 0.822 581 A HN 0.722 nan 8.150 nan 0.000 0.447 582 K N -1.641 118.740 120.400 -0.030 0.000 2.009 582 K HA -0.206 4.105 4.320 -0.016 0.000 0.210 582 K C 1.622 178.105 176.600 -0.194 0.000 1.049 582 K CA 2.073 58.234 56.287 -0.210 0.000 0.929 582 K CB -0.340 31.924 32.500 -0.394 0.000 0.714 582 K HN 0.554 nan 8.250 nan 0.000 0.440 583 Y N -0.379 120.007 120.300 0.144 0.000 2.511 583 Y HA 0.185 4.725 4.550 -0.016 0.000 0.279 583 Y C 1.179 177.144 175.900 0.109 0.000 1.157 583 Y CA 0.607 58.810 58.100 0.172 0.000 1.300 583 Y CB 0.536 39.069 38.460 0.122 0.000 1.052 583 Y HN 0.389 nan 8.280 nan 0.000 0.529 584 G N 1.679 110.581 108.800 0.168 0.000 2.272 584 G HA2 -0.279 3.671 3.960 -0.016 0.000 0.280 584 G HA3 -0.279 3.671 3.960 -0.016 0.000 0.280 584 G C 0.045 174.997 174.900 0.086 0.000 1.067 584 G CA 0.551 45.714 45.100 0.105 0.000 0.902 584 G HN 0.526 nan 8.290 nan 0.000 0.500 585 I N -3.435 117.193 120.570 0.097 0.000 3.294 585 I HA 0.980 5.140 4.170 -0.016 0.000 0.311 585 I C 0.171 176.310 176.117 0.036 0.000 1.111 585 I CA -1.337 59.993 61.300 0.050 0.000 0.976 585 I CB 2.124 40.153 38.000 0.048 0.000 1.260 585 I HN 0.528 nan 8.210 nan 0.000 0.474 586 A N 2.027 124.851 122.820 0.006 0.000 2.320 586 A HA 0.721 5.032 4.320 -0.016 0.000 0.334 586 A C -1.831 175.763 177.584 0.016 0.000 1.147 586 A CA -1.931 50.118 52.037 0.020 0.000 0.820 586 A CB 0.493 19.498 19.000 0.009 0.000 1.218 586 A HN 0.697 nan 8.150 nan 0.000 0.482 587 P HA -0.268 nan 4.420 nan 0.000 0.220 587 P C 1.504 178.796 177.300 -0.014 0.000 1.155 587 P CA 2.495 65.608 63.100 0.021 0.000 0.880 587 P CB -0.043 31.684 31.700 0.045 0.000 0.790 588 G N -0.231 108.568 108.800 -0.002 0.000 2.402 588 G HA2 -0.213 3.738 3.960 -0.016 0.000 0.216 588 G HA3 -0.213 3.738 3.960 -0.016 0.000 0.216 588 G C 1.206 176.075 174.900 -0.052 0.000 1.162 588 G CA 0.883 45.969 45.100 -0.023 0.000 0.777 588 G HN 0.180 nan 8.290 nan 0.000 0.539 589 D N 0.467 120.837 120.400 -0.050 0.000 2.087 589 D HA -0.113 4.518 4.640 -0.016 0.000 0.192 589 D C 2.464 178.703 176.300 -0.102 0.000 0.993 589 D CA 0.424 54.384 54.000 -0.066 0.000 0.828 589 D CB -0.693 40.075 40.800 -0.054 0.000 0.968 589 D HN 0.214 nan 8.370 nan 0.000 0.448 590 L N 0.682 121.841 121.223 -0.106 0.000 1.997 590 L HA -0.267 4.063 4.340 -0.016 0.000 0.216 590 L C 2.573 179.273 176.870 -0.283 0.000 1.074 590 L CA 1.597 56.328 54.840 -0.181 0.000 0.763 590 L CB -0.055 41.924 42.059 -0.133 0.000 0.890 590 L HN 0.035 nan 8.230 nan 0.000 0.434 591 R N -0.860 119.504 120.500 -0.227 0.000 2.096 591 R HA -0.218 4.112 4.340 -0.016 0.000 0.235 591 R C 2.318 178.497 176.300 -0.201 0.000 1.127 591 R CA 1.546 57.498 56.100 -0.247 0.000 0.968 591 R CB -0.445 29.769 30.300 -0.144 0.000 0.861 591 R HN 0.432 nan 8.270 nan 0.000 0.440 592 R N 1.030 121.445 120.500 -0.141 0.000 2.070 592 R HA -0.096 4.234 4.340 -0.016 0.000 0.233 592 R C 2.306 178.544 176.300 -0.104 0.000 1.137 592 R CA 1.375 57.415 56.100 -0.100 0.000 0.945 592 R CB -0.232 30.026 30.300 -0.070 0.000 0.845 592 R HN 0.136 nan 8.270 nan 0.000 0.430 593 I N 0.221 120.710 120.570 -0.135 0.000 2.142 593 I HA -0.286 3.875 4.170 -0.016 0.000 0.240 593 I C 2.290 178.309 176.117 -0.164 0.000 1.078 593 I CA 1.231 62.451 61.300 -0.133 0.000 1.343 593 I CB -0.239 37.663 38.000 -0.163 0.000 1.046 593 I HN 0.068 nan 8.210 nan 0.000 0.405 594 V N 0.601 120.332 119.914 -0.306 0.000 2.287 594 V HA -0.306 3.804 4.120 -0.016 0.000 0.248 594 V C 2.495 178.482 176.094 -0.178 0.000 1.053 594 V CA 2.167 64.238 62.300 -0.381 0.000 1.027 594 V CB -0.700 30.597 31.823 -0.876 0.000 0.646 594 V HN 0.414 nan 8.190 nan 0.000 0.447 595 E N 0.557 120.664 120.200 -0.155 0.000 2.070 595 E HA -0.220 4.120 4.350 -0.016 0.000 0.197 595 E C 2.220 178.848 176.600 0.047 0.000 1.004 595 E CA 2.438 58.802 56.400 -0.059 0.000 0.805 595 E CB -0.561 29.096 29.700 -0.071 0.000 0.744 595 E HN 0.651 nan 8.360 nan 0.000 0.451 596 T N 0.221 114.817 114.554 0.070 0.000 2.668 596 T HA -0.124 4.216 4.350 -0.016 0.000 0.262 596 T C 1.877 176.727 174.700 0.250 0.000 1.045 596 T CA 1.703 63.942 62.100 0.231 0.000 1.152 596 T CB -0.802 68.181 68.868 0.192 0.000 0.864 596 T HN 0.361 nan 8.240 nan 0.000 0.419 597 A N 1.565 124.446 122.820 0.102 0.000 1.940 597 A HA -0.299 4.012 4.320 -0.016 0.000 0.221 597 A C 2.220 179.852 177.584 0.079 0.000 1.190 597 A CA 2.421 54.495 52.037 0.062 0.000 0.647 597 A CB -0.846 18.153 19.000 -0.000 0.000 0.821 597 A HN 0.689 nan 8.150 nan 0.000 0.457 598 E N -1.569 118.689 120.200 0.096 0.000 2.031 598 E HA -0.263 4.078 4.350 -0.016 0.000 0.193 598 E C 1.849 178.543 176.600 0.158 0.000 0.994 598 E CA 1.601 58.063 56.400 0.103 0.000 0.800 598 E CB -0.391 29.363 29.700 0.089 0.000 0.752 598 E HN 0.798 nan 8.360 nan 0.000 0.447 599 W N 1.684 123.012 121.300 0.047 0.000 2.318 599 W HA -0.229 4.421 4.660 -0.016 0.000 0.313 599 W C 1.768 178.358 176.519 0.118 0.000 1.221 599 W CA 1.832 59.232 57.345 0.091 0.000 1.266 599 W CB -0.612 28.921 29.460 0.121 0.000 1.150 599 W HN 0.099 nan 8.180 nan 0.000 0.496 600 L N 0.269 121.340 121.223 -0.253 0.000 2.109 600 L HA -0.167 4.163 4.340 -0.016 0.000 0.207 600 L C 2.851 179.605 176.870 -0.194 0.000 1.086 600 L CA 1.462 56.073 54.840 -0.383 0.000 0.760 600 L CB -1.362 40.591 42.059 -0.177 0.000 0.910 600 L HN 0.038 nan 8.230 nan 0.000 0.437 601 S N 0.356 115.991 115.700 -0.108 0.000 2.370 601 S HA -0.239 4.222 4.470 -0.016 0.000 0.226 601 S C 1.999 176.512 174.600 -0.144 0.000 1.033 601 S CA 1.845 59.968 58.200 -0.129 0.000 1.011 601 S CB -0.335 62.842 63.200 -0.039 0.000 0.852 601 S HN 0.491 nan 8.310 nan 0.000 0.457 602 N N 1.370 120.030 118.700 -0.067 0.000 2.084 602 N HA -0.073 4.658 4.740 -0.016 0.000 0.190 602 N C 1.903 177.364 175.510 -0.081 0.000 1.030 602 N CA 1.631 54.661 53.050 -0.033 0.000 0.849 602 N CB -0.690 37.834 38.487 0.062 0.000 1.012 602 N HN 0.443 nan 8.380 nan 0.000 0.423 603 A N 1.905 124.653 122.820 -0.120 0.000 1.892 603 A HA -0.188 4.122 4.320 -0.016 0.000 0.218 603 A C 2.419 179.894 177.584 -0.182 0.000 1.188 603 A CA 1.882 53.861 52.037 -0.098 0.000 0.631 603 A CB -0.862 18.064 19.000 -0.123 0.000 0.822 603 A HN 0.549 nan 8.150 nan 0.000 0.447 604 M N -0.410 118.880 119.600 -0.517 0.000 2.149 604 M HA -0.216 4.254 4.480 -0.016 0.000 0.261 604 M C 1.938 177.959 176.300 -0.466 0.000 1.064 604 M CA 2.522 57.210 55.300 -1.019 0.000 1.102 604 M CB -0.347 31.327 32.600 -1.543 0.000 1.369 604 M HN 0.532 nan 8.290 nan 0.000 0.408 605 N N 0.329 118.854 118.700 -0.291 0.000 2.106 605 N HA -0.129 4.602 4.740 -0.016 0.000 0.188 605 N C 1.759 177.208 175.510 -0.102 0.000 1.029 605 N CA 1.601 54.551 53.050 -0.167 0.000 0.848 605 N CB -0.217 38.205 38.487 -0.109 0.000 1.007 605 N HN 0.305 nan 8.380 nan 0.000 0.423 606 R N -0.090 120.368 120.500 -0.070 0.000 2.105 606 R HA -0.020 4.311 4.340 -0.016 0.000 0.239 606 R C 2.107 178.401 176.300 -0.011 0.000 1.135 606 R CA 1.103 57.191 56.100 -0.021 0.000 0.967 606 R CB -0.303 30.003 30.300 0.010 0.000 0.861 606 R HN 0.390 nan 8.270 nan 0.000 0.442 607 I N 0.062 120.618 120.570 -0.023 0.000 2.202 607 I HA -0.243 3.917 4.170 -0.016 0.000 0.242 607 I C 2.565 178.685 176.117 0.005 0.000 1.091 607 I CA 1.059 62.377 61.300 0.029 0.000 1.368 607 I CB -0.444 37.604 38.000 0.080 0.000 1.058 607 I HN 0.180 nan 8.210 nan 0.000 0.410 608 A N 0.901 123.681 122.820 -0.067 0.000 1.873 608 A HA -0.294 4.016 4.320 -0.016 0.000 0.218 608 A C 2.151 179.709 177.584 -0.044 0.000 1.193 608 A CA 2.179 54.169 52.037 -0.078 0.000 0.629 608 A CB -0.845 18.087 19.000 -0.114 0.000 0.826 608 A HN 0.471 nan 8.150 nan 0.000 0.447 609 E N -0.828 119.352 120.200 -0.034 0.000 2.065 609 E HA -0.277 4.064 4.350 -0.016 0.000 0.201 609 E C 2.095 178.696 176.600 0.002 0.000 1.016 609 E CA 1.356 57.747 56.400 -0.016 0.000 0.818 609 E CB -0.294 29.401 29.700 -0.009 0.000 0.749 609 E HN 0.766 nan 8.360 nan 0.000 0.453 610 E N 0.515 120.726 120.200 0.019 0.000 2.187 610 E HA -0.226 4.115 4.350 -0.016 0.000 0.199 610 E C 2.025 178.653 176.600 0.047 0.000 1.004 610 E CA 1.102 57.527 56.400 0.042 0.000 0.813 610 E CB 0.084 29.825 29.700 0.068 0.000 0.736 610 E HN 0.121 nan 8.360 nan 0.000 0.468 611 V N -1.316 118.615 119.914 0.028 0.000 2.599 611 V HA 0.086 4.197 4.120 -0.016 0.000 0.245 611 V C 1.493 177.575 176.094 -0.019 0.000 1.046 611 V CA 1.691 63.990 62.300 -0.002 0.000 1.065 611 V CB 0.743 32.510 31.823 -0.094 0.000 0.703 611 V HN 0.583 nan 8.190 nan 0.000 0.464 612 G N -0.160 108.625 108.800 -0.024 0.000 2.421 612 G HA2 -0.192 3.758 3.960 -0.016 0.000 0.188 612 G HA3 -0.192 3.758 3.960 -0.016 0.000 0.188 612 G C 0.299 175.178 174.900 -0.034 0.000 1.001 612 G CA 0.146 45.232 45.100 -0.023 0.000 0.693 612 G HN 0.503 nan 8.290 nan 0.000 0.479 613 N N 1.340 120.010 118.700 -0.050 0.000 2.441 613 N HA 0.328 5.058 4.740 -0.016 0.000 0.251 613 N C 1.363 176.843 175.510 -0.050 0.000 1.242 613 N CA 1.539 54.556 53.050 -0.055 0.000 0.898 613 N CB 0.986 39.428 38.487 -0.075 0.000 1.100 613 N HN 0.559 nan 8.380 nan 0.000 0.443 614 T N -2.862 111.665 114.554 -0.045 0.000 3.130 614 T HA 0.049 4.389 4.350 -0.016 0.000 0.288 614 T C 1.200 175.874 174.700 -0.042 0.000 0.936 614 T CA 0.047 62.123 62.100 -0.041 0.000 0.897 614 T CB -0.513 68.338 68.868 -0.029 0.000 1.178 614 T HN 0.357 nan 8.240 nan 0.000 0.543 615 S N 2.206 117.879 115.700 -0.044 0.000 2.559 615 S HA -0.087 4.374 4.470 -0.016 0.000 0.250 615 S C 1.717 176.289 174.600 -0.046 0.000 0.977 615 S CA 1.100 59.276 58.200 -0.040 0.000 0.958 615 S CB -0.889 62.288 63.200 -0.038 0.000 0.751 615 S HN 0.750 nan 8.310 nan 0.000 0.534 616 V N -2.985 116.894 119.914 -0.059 0.000 3.556 616 V HA 0.261 4.371 4.120 -0.016 0.000 0.287 616 V C 1.942 178.002 176.094 -0.055 0.000 1.422 616 V CA 0.390 62.649 62.300 -0.068 0.000 1.038 616 V CB -0.480 31.277 31.823 -0.111 0.000 0.850 616 V HN 0.354 nan 8.190 nan 0.000 0.437 617 S N 2.413 118.086 115.700 -0.045 0.000 2.451 617 S HA -0.276 4.184 4.470 -0.016 0.000 0.272 617 S C 1.616 176.203 174.600 -0.021 0.000 1.136 617 S CA 2.742 60.923 58.200 -0.031 0.000 1.209 617 S CB -0.877 62.309 63.200 -0.023 0.000 1.130 617 S HN 1.006 nan 8.310 nan 0.000 0.440 618 G N -0.490 108.300 108.800 -0.017 0.000 3.936 618 G HA2 0.450 4.400 3.960 -0.016 0.000 0.296 618 G HA3 0.450 4.400 3.960 -0.016 0.000 0.296 618 G C 0.575 175.473 174.900 -0.003 0.000 1.121 618 G CA 0.038 45.134 45.100 -0.006 0.000 0.899 618 G HN 0.428 nan 8.290 nan 0.000 0.542 619 L N 0.044 121.260 121.223 -0.012 0.000 2.102 619 L HA 0.129 4.460 4.340 -0.016 0.000 0.202 619 L C 2.746 179.625 176.870 0.014 0.000 1.076 619 L CA 2.188 57.025 54.840 -0.006 0.000 0.761 619 L CB -0.727 41.316 42.059 -0.026 0.000 0.921 619 L HN 0.158 nan 8.230 nan 0.000 0.444 620 T N -0.100 114.458 114.554 0.006 0.000 2.597 620 T HA -0.247 4.094 4.350 -0.016 0.000 0.267 620 T C 1.701 176.430 174.700 0.048 0.000 1.053 620 T CA 1.905 64.019 62.100 0.024 0.000 1.165 620 T CB -0.382 68.496 68.868 0.016 0.000 0.863 620 T HN 0.407 nan 8.240 nan 0.000 0.427 621 E N 0.907 121.142 120.200 0.057 0.000 2.065 621 E HA -0.210 4.130 4.350 -0.016 0.000 0.201 621 E C 2.599 179.275 176.600 0.127 0.000 1.016 621 E CA 1.195 57.658 56.400 0.104 0.000 0.818 621 E CB -0.237 29.526 29.700 0.105 0.000 0.749 621 E HN 0.460 nan 8.360 nan 0.000 0.453 622 R N 0.331 120.878 120.500 0.079 0.000 2.080 622 R HA -0.147 4.183 4.340 -0.016 0.000 0.236 622 R C 2.511 178.862 176.300 0.086 0.000 1.137 622 R CA 1.150 57.280 56.100 0.050 0.000 0.943 622 R CB -0.646 29.659 30.300 0.008 0.000 0.846 622 R HN 0.255 nan 8.270 nan 0.000 0.431 623 I N 1.443 122.097 120.570 0.140 0.000 2.118 623 I HA -0.320 3.840 4.170 -0.016 0.000 0.241 623 I C 2.572 178.932 176.117 0.404 0.000 1.070 623 I CA 1.493 62.966 61.300 0.288 0.000 1.327 623 I CB -1.024 37.076 38.000 0.166 0.000 1.034 623 I HN 0.241 nan 8.210 nan 0.000 0.405 624 K N 0.430 120.917 120.400 0.145 0.000 2.020 624 K HA -0.218 4.092 4.320 -0.016 0.000 0.212 624 K C 2.111 178.712 176.600 0.002 0.000 1.050 624 K CA 1.738 58.015 56.287 -0.017 0.000 0.929 624 K CB -0.121 32.208 32.500 -0.285 0.000 0.714 624 K HN 0.445 nan 8.250 nan 0.000 0.443 625 H N -1.506 117.691 119.070 0.211 0.000 2.563 625 H HA 0.133 4.679 4.556 -0.016 0.000 0.264 625 H C 0.939 176.169 175.328 -0.164 0.000 0.957 625 H CA 0.829 56.953 56.048 0.127 0.000 1.173 625 H CB 0.653 30.440 29.762 0.041 0.000 1.420 625 H HN 0.571 nan 8.280 nan 0.000 0.551 626 G N 1.864 110.479 108.800 -0.308 0.000 2.273 626 G HA2 -0.263 3.688 3.960 -0.016 0.000 0.280 626 G HA3 -0.263 3.688 3.960 -0.016 0.000 0.280 626 G C 0.532 174.966 174.900 -0.777 0.000 1.047 626 G CA 0.623 44.858 45.100 -1.442 0.000 0.869 626 G HN 0.436 nan 8.290 nan 0.000 0.502 627 V N -4.012 115.693 119.914 -0.349 0.000 3.284 627 V HA 0.834 4.945 4.120 -0.016 0.000 0.309 627 V C 1.401 177.375 176.094 -0.199 0.000 1.190 627 V CA 0.032 62.186 62.300 -0.243 0.000 1.038 627 V CB 1.305 33.037 31.823 -0.152 0.000 1.198 627 V HN 0.104 nan 8.190 nan 0.000 0.465 628 K N -0.678 119.608 120.400 -0.190 0.000 2.057 628 K HA 0.186 4.497 4.320 -0.016 0.000 0.209 628 K C 1.458 177.980 176.600 -0.132 0.000 1.028 628 K CA 1.691 57.878 56.287 -0.166 0.000 0.950 628 K CB 0.062 32.443 32.500 -0.199 0.000 0.784 628 K HN 0.995 nan 8.250 nan 0.000 0.448 629 E N -1.693 118.417 120.200 -0.151 0.000 1.249 629 E HA -0.109 4.232 4.350 -0.016 0.000 0.209 629 E C 0.684 177.213 176.600 -0.118 0.000 1.023 629 E CA 0.722 57.062 56.400 -0.100 0.000 0.992 629 E CB -0.513 29.142 29.700 -0.076 0.000 4.746 629 E HN 0.307 nan 8.360 nan 0.000 0.661 630 E N 0.935 121.011 120.200 -0.207 0.000 2.285 630 E HA -0.001 4.340 4.350 -0.016 0.000 0.194 630 E C 1.202 177.610 176.600 -0.320 0.000 0.997 630 E CA 0.952 57.198 56.400 -0.256 0.000 0.845 630 E CB 0.101 29.525 29.700 -0.460 0.000 0.782 630 E HN 0.253 nan 8.360 nan 0.000 0.491 631 L N 0.915 121.939 121.223 -0.332 0.000 2.592 631 L HA 0.116 4.446 4.340 -0.016 0.000 0.227 631 L C 1.944 178.736 176.870 -0.131 0.000 1.127 631 L CA 0.405 55.108 54.840 -0.228 0.000 0.884 631 L CB -0.105 41.807 42.059 -0.244 0.000 1.065 631 L HN 0.149 nan 8.230 nan 0.000 0.457 632 L N -0.523 120.638 121.223 -0.104 0.000 2.042 632 L HA -0.259 4.071 4.340 -0.016 0.000 0.210 632 L C 2.479 179.306 176.870 -0.072 0.000 1.076 632 L CA 1.469 56.264 54.840 -0.075 0.000 0.749 632 L CB -0.254 41.787 42.059 -0.030 0.000 0.893 632 L HN 0.368 nan 8.230 nan 0.000 0.432 633 E N 0.072 120.251 120.200 -0.035 0.000 2.110 633 E HA -0.204 4.136 4.350 -0.016 0.000 0.193 633 E C 2.326 178.905 176.600 -0.034 0.000 0.988 633 E CA 0.882 57.272 56.400 -0.017 0.000 0.804 633 E CB 0.065 29.775 29.700 0.016 0.000 0.745 633 E HN 0.428 nan 8.360 nan 0.000 0.458 634 L N -0.026 121.174 121.223 -0.038 0.000 2.095 634 L HA -0.106 4.224 4.340 -0.016 0.000 0.204 634 L C 2.485 179.286 176.870 -0.116 0.000 1.080 634 L CA 0.753 55.563 54.840 -0.051 0.000 0.759 634 L CB -0.339 41.710 42.059 -0.016 0.000 0.914 634 L HN 0.192 nan 8.230 nan 0.000 0.439 635 V N -2.691 117.105 119.914 -0.196 0.000 2.759 635 V HA -0.167 3.943 4.120 -0.016 0.000 0.256 635 V C 2.260 178.135 176.094 -0.365 0.000 1.080 635 V CA 1.127 63.217 62.300 -0.350 0.000 1.101 635 V CB -0.947 30.512 31.823 -0.607 0.000 0.698 635 V HN 0.394 nan 8.190 nan 0.000 0.477 636 R N 0.750 121.116 120.500 -0.224 0.000 2.235 636 R HA 0.249 4.579 4.340 -0.016 0.000 0.213 636 R C 0.685 176.966 176.300 -0.032 0.000 1.059 636 R CA 0.654 56.698 56.100 -0.092 0.000 0.997 636 R CB -0.357 29.922 30.300 -0.035 0.000 0.884 636 R HN 0.481 nan 8.270 nan 0.000 0.462 637 I N 3.045 123.585 120.570 -0.050 0.000 2.372 637 I HA 0.001 4.161 4.170 -0.016 0.000 0.298 637 I C 0.527 176.638 176.117 -0.009 0.000 1.137 637 I CA -0.124 61.162 61.300 -0.023 0.000 1.314 637 I CB 0.277 38.258 38.000 -0.032 0.000 1.444 637 I HN 0.201 nan 8.210 nan 0.000 0.541 638 R N 6.229 126.750 120.500 0.034 0.000 3.826 638 R HA -0.318 4.012 4.340 -0.016 0.000 0.295 638 R C 0.273 176.659 176.300 0.144 0.000 1.200 638 R CA 1.688 57.833 56.100 0.075 0.000 0.818 638 R CB -2.404 27.920 30.300 0.041 0.000 1.216 638 R HN 1.023 nan 8.270 nan 0.000 0.513 639 H N -1.152 117.925 119.070 0.012 0.000 3.851 639 H HA -0.152 4.394 4.556 -0.016 0.000 0.284 639 H C -0.425 174.905 175.328 0.003 0.000 0.720 639 H CA 1.289 57.351 56.048 0.022 0.000 0.826 639 H CB -0.466 29.361 29.762 0.108 0.000 1.345 639 H HN 0.383 nan 8.280 nan 0.000 0.314 640 I N 3.965 124.308 120.570 -0.378 0.000 4.181 640 I HA 0.238 4.398 4.170 -0.016 0.000 0.331 640 I C 1.597 177.506 176.117 -0.347 0.000 1.312 640 I CA 0.520 61.598 61.300 -0.370 0.000 1.146 640 I CB 0.557 38.449 38.000 -0.181 0.000 1.074 640 I HN 0.965 nan 8.210 nan 0.000 0.402 641 G N 2.053 110.700 108.800 -0.256 0.000 2.716 641 G HA2 -0.232 3.719 3.960 -0.016 0.000 0.686 641 G HA3 -0.232 3.719 3.960 -0.016 0.000 0.686 641 G C 0.311 175.181 174.900 -0.051 0.000 1.337 641 G CA -0.376 44.696 45.100 -0.047 0.000 0.829 641 G HN 0.251 nan 8.290 nan 0.000 0.599 642 R N 0.670 121.151 120.500 -0.033 0.000 2.080 642 R HA -0.034 4.296 4.340 -0.016 0.000 0.236 642 R C 2.787 179.044 176.300 -0.072 0.000 1.137 642 R CA 1.999 58.042 56.100 -0.095 0.000 0.943 642 R CB -0.683 29.518 30.300 -0.165 0.000 0.846 642 R HN 0.473 nan 8.270 nan 0.000 0.431 643 V N 1.345 121.235 119.914 -0.040 0.000 2.214 643 V HA -0.332 3.779 4.120 -0.016 0.000 0.247 643 V C 2.376 178.451 176.094 -0.032 0.000 1.051 643 V CA 2.149 64.433 62.300 -0.028 0.000 1.003 643 V CB -0.582 31.238 31.823 -0.005 0.000 0.635 643 V HN 0.321 nan 8.190 nan 0.000 0.447 644 R N 0.086 120.563 120.500 -0.039 0.000 2.096 644 R HA -0.197 4.134 4.340 -0.016 0.000 0.240 644 R C 2.427 178.704 176.300 -0.038 0.000 1.139 644 R CA 1.607 57.682 56.100 -0.042 0.000 0.952 644 R CB -0.817 29.446 30.300 -0.062 0.000 0.854 644 R HN 0.576 nan 8.270 nan 0.000 0.436 645 A N 1.257 124.044 122.820 -0.055 0.000 1.917 645 A HA -0.269 4.042 4.320 -0.016 0.000 0.219 645 A C 2.158 179.741 177.584 -0.002 0.000 1.182 645 A CA 1.875 53.886 52.037 -0.042 0.000 0.633 645 A CB -0.482 18.468 19.000 -0.083 0.000 0.819 645 A HN 0.190 nan 8.150 nan 0.000 0.448 646 R N -0.149 120.336 120.500 -0.026 0.000 2.070 646 R HA -0.127 4.204 4.340 -0.016 0.000 0.233 646 R C 2.169 178.494 176.300 0.042 0.000 1.137 646 R CA 2.247 58.345 56.100 -0.003 0.000 0.945 646 R CB -0.488 29.791 30.300 -0.035 0.000 0.845 646 R HN 0.510 nan 8.270 nan 0.000 0.430 647 K N -0.146 120.262 120.400 0.013 0.000 2.034 647 K HA -0.139 4.171 4.320 -0.016 0.000 0.214 647 K C 1.958 178.567 176.600 0.015 0.000 1.051 647 K CA 1.972 58.265 56.287 0.010 0.000 0.931 647 K CB -0.269 32.229 32.500 -0.004 0.000 0.715 647 K HN 0.169 nan 8.250 nan 0.000 0.446 648 L N -0.492 120.740 121.223 0.014 0.000 2.083 648 L HA -0.219 4.111 4.340 -0.016 0.000 0.209 648 L C 2.310 179.187 176.870 0.012 0.000 1.083 648 L CA 1.510 56.350 54.840 0.001 0.000 0.752 648 L CB -0.551 41.506 42.059 -0.003 0.000 0.899 648 L HN 0.342 nan 8.230 nan 0.000 0.433 649 Y N 0.859 121.121 120.300 -0.063 0.000 2.337 649 Y HA -0.093 4.447 4.550 -0.016 0.000 0.293 649 Y C 2.228 178.095 175.900 -0.057 0.000 1.123 649 Y CA 1.277 59.340 58.100 -0.062 0.000 1.201 649 Y CB -0.152 38.272 38.460 -0.061 0.000 1.011 649 Y HN 0.221 nan 8.280 nan 0.000 0.545 650 N N 0.160 118.931 118.700 0.119 0.000 2.609 650 N HA 0.018 4.748 4.740 -0.016 0.000 0.190 650 N C 0.193 175.683 175.510 -0.034 0.000 1.157 650 N CA 0.147 53.228 53.050 0.052 0.000 0.918 650 N CB 0.075 38.588 38.487 0.044 0.000 0.978 650 N HN 0.234 nan 8.380 nan 0.000 0.448 651 A N -0.552 122.222 122.820 -0.076 0.000 2.578 651 A HA 0.651 4.961 4.320 -0.016 0.000 0.255 651 A C 1.349 178.821 177.584 -0.186 0.000 1.251 651 A CA -0.271 51.703 52.037 -0.105 0.000 0.882 651 A CB -0.069 18.884 19.000 -0.078 0.000 1.416 651 A HN 0.086 nan 8.150 nan 0.000 0.462 652 G N -0.276 108.406 108.800 -0.196 0.000 2.443 652 G HA2 0.072 4.023 3.960 -0.016 0.000 0.219 652 G HA3 0.072 4.023 3.960 -0.016 0.000 0.219 652 G C 0.625 175.343 174.900 -0.303 0.000 1.131 652 G CA 0.677 45.618 45.100 -0.265 0.000 0.775 652 G HN 0.558 nan 8.290 nan 0.000 0.547 653 I N 1.053 121.470 120.570 -0.254 0.000 2.573 653 I HA 0.187 4.348 4.170 -0.016 0.000 0.295 653 I C 0.576 176.593 176.117 -0.167 0.000 1.141 653 I CA 0.422 61.604 61.300 -0.197 0.000 1.364 653 I CB -0.325 37.604 38.000 -0.118 0.000 1.447 653 I HN 0.121 nan 8.210 nan 0.000 0.571 654 R N 4.764 125.152 120.500 -0.187 0.000 2.613 654 R HA 0.216 4.546 4.340 -0.016 0.000 0.361 654 R C -0.080 176.213 176.300 -0.013 0.000 1.072 654 R CA -0.226 55.784 56.100 -0.150 0.000 1.089 654 R CB 0.263 30.310 30.300 -0.421 0.000 1.343 654 R HN 0.843 nan 8.270 nan 0.000 0.571 655 N N -2.179 116.507 118.700 -0.024 0.000 3.413 655 N HA 0.051 4.781 4.740 -0.016 0.000 0.273 655 N C 0.030 175.533 175.510 -0.013 0.000 1.458 655 N CA -0.141 52.907 53.050 -0.005 0.000 0.860 655 N CB 0.308 38.791 38.487 -0.006 0.000 1.556 655 N HN -0.147 nan 8.380 nan 0.000 0.475 656 A N 0.405 123.221 122.820 -0.007 0.000 1.873 656 A HA -0.142 4.169 4.320 -0.016 0.000 0.215 656 A C 1.890 179.476 177.584 0.003 0.000 1.186 656 A CA 2.234 54.269 52.037 -0.004 0.000 0.616 656 A CB -1.086 17.913 19.000 -0.002 0.000 0.823 656 A HN 0.836 nan 8.150 nan 0.000 0.442 657 E N 0.083 120.286 120.200 0.006 0.000 2.033 657 E HA -0.298 4.042 4.350 -0.016 0.000 0.199 657 E C 1.475 178.098 176.600 0.037 0.000 1.011 657 E CA 1.905 58.315 56.400 0.018 0.000 0.815 657 E CB -0.278 29.430 29.700 0.014 0.000 0.755 657 E HN 0.600 nan 8.360 nan 0.000 0.451 658 D N 0.017 120.425 120.400 0.014 0.000 2.182 658 D HA -0.161 4.469 4.640 -0.016 0.000 0.201 658 D C 1.829 178.155 176.300 0.043 0.000 0.986 658 D CA 1.246 55.249 54.000 0.005 0.000 0.847 658 D CB -0.073 40.643 40.800 -0.140 0.000 0.942 658 D HN 0.335 nan 8.370 nan 0.000 0.467 659 I N -0.114 120.466 120.570 0.016 0.000 2.493 659 I HA -0.192 3.968 4.170 -0.016 0.000 0.254 659 I C 1.966 178.113 176.117 0.050 0.000 1.160 659 I CA 0.462 61.775 61.300 0.021 0.000 1.445 659 I CB -0.151 37.849 38.000 0.001 0.000 1.086 659 I HN -0.022 nan 8.210 nan 0.000 0.433 660 V N 0.741 120.687 119.914 0.054 0.000 2.256 660 V HA -0.192 3.919 4.120 -0.016 0.000 0.240 660 V C 2.569 178.695 176.094 0.053 0.000 1.036 660 V CA 1.588 63.914 62.300 0.043 0.000 1.008 660 V CB -0.652 31.187 31.823 0.027 0.000 0.648 660 V HN 0.294 nan 8.190 nan 0.000 0.453 661 R N 0.219 120.772 120.500 0.087 0.000 2.211 661 R HA -0.156 4.175 4.340 -0.016 0.000 0.240 661 R C 0.761 176.957 176.300 -0.173 0.000 1.144 661 R CA 1.455 57.554 56.100 -0.001 0.000 0.992 661 R CB -0.439 29.888 30.300 0.045 0.000 0.869 661 R HN 0.746 nan 8.270 nan 0.000 0.462 662 H N -1.679 117.379 119.070 -0.021 0.000 2.591 662 H HA 0.318 4.865 4.556 -0.016 0.000 0.241 662 H C 0.672 175.988 175.328 -0.019 0.000 1.292 662 H CA -0.343 55.692 56.048 -0.021 0.000 1.022 662 H CB 0.408 30.154 29.762 -0.026 0.000 1.875 662 H HN 0.064 nan 8.280 nan 0.000 0.570 663 R N 1.018 121.552 120.500 0.056 0.000 2.115 663 R HA -0.192 4.138 4.340 -0.016 0.000 0.239 663 R C 1.280 177.594 176.300 0.025 0.000 1.133 663 R CA 1.859 57.978 56.100 0.031 0.000 0.935 663 R CB 0.239 30.544 30.300 0.008 0.000 0.853 663 R HN 0.328 nan 8.270 nan 0.000 0.433 664 E N 0.571 120.780 120.200 0.015 0.000 2.097 664 E HA -0.255 4.085 4.350 -0.016 0.000 0.196 664 E C 1.837 178.449 176.600 0.019 0.000 1.000 664 E CA 1.306 57.713 56.400 0.011 0.000 0.804 664 E CB -0.246 29.455 29.700 0.003 0.000 0.740 664 E HN 0.410 nan 8.360 nan 0.000 0.454 665 K N 0.974 121.396 120.400 0.037 0.000 2.009 665 K HA -0.141 4.169 4.320 -0.016 0.000 0.210 665 K C 2.215 178.827 176.600 0.020 0.000 1.049 665 K CA 1.549 57.858 56.287 0.036 0.000 0.929 665 K CB -0.090 32.450 32.500 0.067 0.000 0.714 665 K HN -0.071 nan 8.250 nan 0.000 0.440 666 V N 1.633 121.562 119.914 0.025 0.000 2.222 666 V HA -0.352 3.758 4.120 -0.016 0.000 0.252 666 V C 2.487 178.583 176.094 0.003 0.000 1.060 666 V CA 2.322 64.627 62.300 0.009 0.000 1.027 666 V CB -1.138 30.692 31.823 0.012 0.000 0.644 666 V HN 0.584 nan 8.190 nan 0.000 0.448 667 A N -0.225 122.599 122.820 0.006 0.000 2.084 667 A HA -0.231 4.080 4.320 -0.016 0.000 0.221 667 A C 2.360 179.945 177.584 0.001 0.000 1.161 667 A CA 2.327 54.366 52.037 0.002 0.000 0.653 667 A CB -0.637 18.365 19.000 0.003 0.000 0.802 667 A HN 0.613 nan 8.150 nan 0.000 0.457 668 S N -0.394 115.308 115.700 0.003 0.000 2.414 668 S HA 0.037 4.497 4.470 -0.016 0.000 0.227 668 S C 1.733 176.333 174.600 -0.001 0.000 1.022 668 S CA 1.174 59.375 58.200 0.001 0.000 0.958 668 S CB -0.311 62.891 63.200 0.003 0.000 0.797 668 S HN 0.538 nan 8.310 nan 0.000 0.493 669 L N 0.837 122.059 121.223 -0.003 0.000 2.022 669 L HA 0.071 4.401 4.340 -0.016 0.000 0.204 669 L C 2.252 179.118 176.870 -0.006 0.000 1.076 669 L CA 1.064 55.900 54.840 -0.005 0.000 0.749 669 L CB -0.587 41.467 42.059 -0.009 0.000 0.903 669 L HN 0.239 nan 8.230 nan 0.000 0.439 670 I N -0.797 119.768 120.570 -0.008 0.000 2.185 670 I HA 0.106 4.266 4.170 -0.016 0.000 0.235 670 I C 0.946 177.060 176.117 -0.006 0.000 1.069 670 I CA 0.838 62.132 61.300 -0.010 0.000 1.354 670 I CB -0.509 37.481 38.000 -0.016 0.000 1.093 670 I HN 0.309 nan 8.210 nan 0.000 0.411 671 G N -0.429 108.368 108.800 -0.004 0.000 2.376 671 G HA2 0.190 4.140 3.960 -0.016 0.000 0.302 671 G HA3 0.190 4.140 3.960 -0.016 0.000 0.302 671 G C -0.253 174.646 174.900 -0.001 0.000 1.586 671 G CA -0.736 44.363 45.100 -0.002 0.000 0.907 671 G HN -0.030 nan 8.290 nan 0.000 0.655 672 R N 0.115 120.616 120.500 0.000 0.000 2.083 672 R HA -0.037 4.293 4.340 -0.016 0.000 0.237 672 R C 2.825 179.126 176.300 0.001 0.000 1.137 672 R CA 2.426 58.526 56.100 0.001 0.000 0.951 672 R CB -0.434 29.867 30.300 0.001 0.000 0.851 672 R HN 0.686 nan 8.270 nan 0.000 0.434 673 G N 1.309 110.110 108.800 0.002 0.000 2.604 673 G HA2 -0.271 3.680 3.960 -0.016 0.000 0.216 673 G HA3 -0.271 3.680 3.960 -0.016 0.000 0.216 673 G C 1.261 176.162 174.900 0.002 0.000 1.265 673 G CA 1.251 46.353 45.100 0.003 0.000 0.804 673 G HN 0.131 nan 8.290 nan 0.000 0.579 674 I N 2.459 123.030 120.570 0.001 0.000 2.185 674 I HA -0.224 3.937 4.170 -0.016 0.000 0.246 674 I C 3.227 179.340 176.117 -0.006 0.000 1.088 674 I CA 1.465 62.763 61.300 -0.003 0.000 1.347 674 I CB -0.923 37.072 38.000 -0.008 0.000 1.041 674 I HN 0.253 nan 8.210 nan 0.000 0.415 675 A N 0.081 122.898 122.820 -0.005 0.000 1.859 675 A HA -0.348 3.963 4.320 -0.016 0.000 0.217 675 A C 2.392 179.975 177.584 -0.002 0.000 1.198 675 A CA 2.358 54.393 52.037 -0.004 0.000 0.629 675 A CB -1.011 17.988 19.000 -0.001 0.000 0.830 675 A HN 0.523 nan 8.150 nan 0.000 0.446 676 E N -0.845 119.355 120.200 0.000 0.000 2.049 676 E HA -0.302 4.038 4.350 -0.016 0.000 0.198 676 E C 2.252 178.853 176.600 0.002 0.000 1.007 676 E CA 1.879 58.279 56.400 0.001 0.000 0.809 676 E CB -0.130 29.571 29.700 0.002 0.000 0.749 676 E HN 0.446 nan 8.360 nan 0.000 0.450 677 R N 0.141 120.643 120.500 0.003 0.000 2.096 677 R HA -0.159 4.171 4.340 -0.016 0.000 0.240 677 R C 2.159 178.461 176.300 0.004 0.000 1.139 677 R CA 1.899 58.002 56.100 0.006 0.000 0.952 677 R CB -0.861 29.444 30.300 0.009 0.000 0.854 677 R HN 0.188 nan 8.270 nan 0.000 0.436 678 V N -0.208 119.704 119.914 -0.003 0.000 2.255 678 V HA -0.264 3.846 4.120 -0.016 0.000 0.247 678 V C 2.366 178.458 176.094 -0.003 0.000 1.051 678 V CA 2.039 64.335 62.300 -0.007 0.000 1.018 678 V CB -0.641 31.171 31.823 -0.018 0.000 0.641 678 V HN 0.227 nan 8.190 nan 0.000 0.445 679 V N -0.058 119.856 119.914 -0.001 0.000 2.407 679 V HA -0.243 3.867 4.120 -0.016 0.000 0.248 679 V C 2.520 178.616 176.094 0.003 0.000 1.055 679 V CA 2.018 64.319 62.300 0.002 0.000 1.049 679 V CB -0.818 31.007 31.823 0.003 0.000 0.662 679 V HN 0.583 nan 8.190 nan 0.000 0.455 680 E N 1.240 121.443 120.200 0.004 0.000 2.219 680 E HA -0.185 4.155 4.350 -0.016 0.000 0.198 680 E C 2.092 178.696 176.600 0.007 0.000 0.998 680 E CA 1.707 58.110 56.400 0.005 0.000 0.818 680 E CB -0.607 29.097 29.700 0.006 0.000 0.741 680 E HN 0.556 nan 8.360 nan 0.000 0.477 681 G N -0.230 108.575 108.800 0.008 0.000 2.510 681 G HA2 -0.038 3.912 3.960 -0.016 0.000 0.212 681 G HA3 -0.038 3.912 3.960 -0.016 0.000 0.212 681 G C 1.597 176.502 174.900 0.008 0.000 1.151 681 G CA 0.461 45.567 45.100 0.010 0.000 0.817 681 G HN 0.274 nan 8.290 nan 0.000 0.534 682 I N 2.180 122.754 120.570 0.006 0.000 2.076 682 I HA -0.252 3.909 4.170 -0.016 0.000 0.237 682 I C 3.243 179.364 176.117 0.006 0.000 1.059 682 I CA 1.763 63.066 61.300 0.006 0.000 1.317 682 I CB -0.672 37.331 38.000 0.004 0.000 1.037 682 I HN 0.299 nan 8.210 nan 0.000 0.398 683 S N 1.124 116.827 115.700 0.005 0.000 2.359 683 S HA -0.182 4.279 4.470 -0.016 0.000 0.223 683 S C 2.032 176.635 174.600 0.005 0.000 1.039 683 S CA 1.579 59.782 58.200 0.005 0.000 1.042 683 S CB -1.369 61.833 63.200 0.003 0.000 0.915 683 S HN 0.268 nan 8.310 nan 0.000 0.439 684 V N 2.743 122.660 119.914 0.005 0.000 2.527 684 V HA -0.245 3.865 4.120 -0.016 0.000 0.255 684 V C 2.666 178.764 176.094 0.006 0.000 1.081 684 V CA 2.338 64.641 62.300 0.005 0.000 1.092 684 V CB -0.912 30.915 31.823 0.006 0.000 0.673 684 V HN 0.608 nan 8.190 nan 0.000 0.470 685 K N -0.421 119.983 120.400 0.007 0.000 2.056 685 K HA -0.004 4.306 4.320 -0.016 0.000 0.205 685 K C 1.618 178.222 176.600 0.007 0.000 1.035 685 K CA 0.887 57.179 56.287 0.008 0.000 0.955 685 K CB -0.062 32.443 32.500 0.009 0.000 0.769 685 K HN 0.398 nan 8.250 nan 0.000 0.447 686 S N 0.000 115.704 115.700 0.007 0.000 2.498 686 S HA 0.000 4.460 4.470 -0.016 0.000 0.327 686 S CA 0.000 58.204 58.200 0.007 0.000 1.107 686 S CB 0.000 63.204 63.200 0.006 0.000 0.593 686 S HN 0.000 nan 8.310 nan 0.000 0.517